##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
3,4,6,7,8,9-hexahydro-2H-
pyrimido[1,2-a]pyrimidin-1-ium [1,3-bis(tert-
butyldimethylsilyloxy)-1,3-bis(pyridin-2-yl)propan-2-ylidene]nitronate
acetonitrile monosolvate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C25 H40 N3 O4 Si2, C7 H14 N3, C2 H3 N'
_chemical_formula_sum     'C34 H57 N7 O4 Si2'
_chemical_formula_iupac     'C7 H14 N3 +, C25 H40 N3 O4 Si2 -, C H3 CN '
_chemical_formula_weight     684.05
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.4335(8)
_cell_length_b     11.1149(9)
_cell_length_c     19.4529(14)
_cell_angle_alpha     103.062(4)
_cell_angle_beta     98.098(4)
_cell_angle_gamma     95.197(5)
_cell_volume     1951.2(3)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     12006
_cell_measurement_theta_min     1.90
_cell_measurement_theta_max     27.45
_cell_measurement_temperature     183(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.06
_exptl_crystal_size_mid     0.06
_exptl_crystal_size_min     0.04
_exptl_crystal_density_diffrn     1.164
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     740
_exptl_absorpt_coefficient_mu     0.135
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_exptl_special_details     ?
_diffrn_ambient_temperature     183(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     KappaCCD
_diffrn_measurement_method     'φ and ω scan'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     12006
_diffrn_reflns_av_R_equivalents     0.0481
_diffrn_reflns_av_sigmaI/netI     0.1762
_diffrn_reflns_theta_min     1.90
_diffrn_reflns_theta_max     27.45
_diffrn_reflns_theta_full     27.45
_diffrn_measured_fraction_theta_max     0.951
_diffrn_measured_fraction_theta_full     0.951
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -25
_diffrn_reflns_limit_l_max     25
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors (gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     8497
_reflns_number_gt     3820
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1814
_refine_ls_R_factor_gt     0.0575
_refine_ls_wR_factor_gt     0.1054
_refine_ls_wR_factor_ref     0.1409
_refine_ls_goodness_of_fit_ref     0.924
_refine_ls_restrained_S_all     0.924
_refine_ls_number_reflns     8497
_refine_ls_number_parameters     442
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0529P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.253
_refine_diff_density_min     -0.274
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Si' 'Si' 0.0817 0.0704
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'COLLECT (Nonius, 1998)'
_computing_cell_refinement     'DENZO  (Otwinowski & Minor 1997)'
_computing_data_reduction     'DENZO  (Otwinowski & Minor 1997)'
_computing_structure_solution     'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Si Si1 0.28003(8) 0.83299(8) 0.16632(4) 0.0308(2) Uani d . 1 1 . .
    Si Si2 -0.25909(9) 0.49919(8) 0.28617(4) 0.0333(2) Uani d . 1 1 . .
    O O1 0.15141(19) 0.72021(17) 0.16400(8) 0.0291(5) Uani d . 1 1 . .
    O O2 -0.18244(19) 0.55522(17) 0.22672(9) 0.0315(5) Uani d . 1 1 . .
    O O3 0.1918(2) 0.81398(19) 0.36422(9) 0.0404(5) Uani d . 1 1 . .
    O O4 -0.0422(2) 0.81554(19) 0.36965(9) 0.0411(6) Uani d . 1 1 . .
    N N1 0.1652(3) 0.4769(2) 0.25806(13) 0.0444(7) Uani d . 1 1 . .
    N N2 -0.1677(2) 0.8364(2) 0.16444(12) 0.0360(6) Uani d . 1 1 . .
    N N3 0.0581(3) 0.7801(2) 0.33126(11) 0.0325(6) Uani d . 1 1 . .
    C C1 0.1591(4) 0.3524(4) 0.2417(2) 0.0578(10) Uani d . 1 1 . .
    H H1A 0.1823 0.3130 0.2796 0.069 Uiso calc R 1 1 . .
    C C2 0.1212(4) 0.2784(3) 0.1734(2) 0.0640(11) Uani d . 1 1 . .
    H H2A 0.1166 0.1904 0.1646 0.077 Uiso calc R 1 1 . .
    C C3 0.0904(4) 0.3351(3) 0.1186(2) 0.0562(10) Uani d . 1 1 . .
    H H3A 0.0647 0.2868 0.0706 0.067 Uiso calc R 1 1 . .
    C C4 0.0971(3) 0.4633(3) 0.13363(16) 0.0422(8) Uani d . 1 1 . .
    H H4A 0.0773 0.5044 0.0962 0.051 Uiso calc R 1 1 . .
    C C5 0.1330(3) 0.5307(3) 0.20375(14) 0.0314(7) Uani d . 1 1 . .
    C C6 0.1453(3) 0.6715(3) 0.22614(13) 0.0270(7) Uani d . 1 1 . .
    H H6A 0.2382 0.7025 0.2599 0.032 Uiso calc R 1 1 . .
    C C7 0.0243(3) 0.7157(2) 0.26432(13) 0.0260(7) Uani d . 1 1 . .
    C C8 -0.1330(3) 0.6834(3) 0.23320(13) 0.0288(7) Uani d . 1 1 . .
    H H8A -0.1873 0.7338 0.2675 0.035 Uiso calc R 1 1 . .
    C C9 -0.1740(3) 0.7144(3) 0.16117(13) 0.0296(7) Uani d . 1 1 . .
    C C10 -0.2241(3) 0.6228(3) 0.09868(14) 0.0380(8) Uani d . 1 1 . .
    H H10A -0.2260 0.5371 0.0983 0.046 Uiso calc R 1 1 . .
    C C11 -0.2711(3) 0.6599(4) 0.03691(16) 0.0477(9) Uani d . 1 1 . .
    H H11A -0.3056 0.5998 -0.0068 0.057 Uiso calc R 1 1 . .
    C C12 -0.2673(3) 0.7845(4) 0.03977(17) 0.0501(9) Uani d . 1 1 . .
    H H12A -0.3006 0.8123 -0.0017 0.060 Uiso calc R 1 1 . .
    C C13 -0.2142(3) 0.8685(3) 0.10378(17) 0.0441(8) Uani d . 1 1 . .
    H H13A -0.2103 0.9547 0.1050 0.053 Uiso calc R 1 1 . .
    C C14 0.4593(3) 0.7866(3) 0.19464(16) 0.0518(9) Uani d . 1 1 . .
    H H14A 0.4682 0.7808 0.2446 0.078 Uiso calc R 1 1 . .
    H H14B 0.5356 0.8490 0.1902 0.078 Uiso calc R 1 1 . .
    H H14C 0.4687 0.7055 0.1641 0.078 Uiso calc R 1 1 . .
    C C15 0.2491(4) 0.9748(3) 0.23070(16) 0.0540(10) Uani d . 1 1 . .
    H H15A 0.2582 0.9599 0.2788 0.081 Uiso calc R 1 1 . .
    H H15B 0.1519 0.9952 0.2168 0.081 Uiso calc R 1 1 . .
    H H15C 0.3207 1.0443 0.2306 0.081 Uiso calc R 1 1 . .
    C C16 0.2656(3) 0.8527(3) 0.07238(14) 0.0350(7) Uani d . 1 1 . .
    C C17 0.2813(4) 0.7296(3) 0.02151(15) 0.0590(10) Uani d . 1 1 . .
    H H17A 0.2779 0.7413 -0.0271 0.088 Uiso calc R 1 1 . .
    H H17B 0.2023 0.6663 0.0220 0.088 Uiso calc R 1 1 . .
    H H17C 0.3739 0.7022 0.0370 0.088 Uiso calc R 1 1 . .
    C C18 0.3861(4) 0.9523(4) 0.06847(19) 0.0620(10) Uani d . 1 1 . .
    H H18A 0.3810 0.9597 0.0190 0.093 Uiso calc R 1 1 . .
    H H18B 0.4802 0.9283 0.0848 0.093 Uiso calc R 1 1 . .
    H H18C 0.3741 1.0325 0.0992 0.093 Uiso calc R 1 1 . .
    C C19 0.1206(3) 0.8948(3) 0.04847(15) 0.0486(9) Uani d . 1 1 . .
    H H19A 0.1159 0.9053 -0.0004 0.073 Uiso calc R 1 1 . .
    H H19B 0.1109 0.9742 0.0807 0.073 Uiso calc R 1 1 . .
    H H19C 0.0419 0.8318 0.0498 0.073 Uiso calc R 1 1 . .
    C C20 -0.1201(3) 0.4739(3) 0.35725(15) 0.0481(9) Uani d . 1 1 . .
    H H20A -0.0645 0.5539 0.3834 0.072 Uiso calc R 1 1 . .
    H H20B -0.0552 0.4182 0.3355 0.072 Uiso calc R 1 1 . .
    H H20C -0.1673 0.4361 0.3905 0.072 Uiso calc R 1 1 . .
    C C21 -0.3779(4) 0.6056(3) 0.33040(16) 0.0529(9) Uani d . 1 1 . .
    H H21A -0.3236 0.6886 0.3504 0.079 Uiso calc R 1 1 . .
    H H21B -0.4120 0.5734 0.3689 0.079 Uiso calc R 1 1 . .
    H H21C -0.4609 0.6110 0.2952 0.079 Uiso calc R 1 1 . .
    C C22 -0.3662(3) 0.3496(3) 0.23180(16) 0.0407(8) Uani d . 1 1 . .
    C C23 -0.4412(4) 0.2833(3) 0.28070(19) 0.0689(11) Uani d . 1 1 . .
    H H23A -0.4944 0.2038 0.2523 0.103 Uiso calc R 1 1 . .
    H H23B -0.5084 0.3358 0.3030 0.103 Uiso calc R 1 1 . .
    H H23C -0.3685 0.2682 0.3180 0.103 Uiso calc R 1 1 . .
    C C24 -0.4825(3) 0.3756(3) 0.17450(17) 0.0600(10) Uani d . 1 1 . .
    H H24A -0.5383 0.2968 0.1466 0.090 Uiso calc R 1 1 . .
    H H24B -0.4357 0.4170 0.1426 0.090 Uiso calc R 1 1 . .
    H H24C -0.5471 0.4296 0.1980 0.090 Uiso calc R 1 1 . .
    C C25 -0.2680(4) 0.2638(3) 0.19317(17) 0.0537(9) Uani d . 1 1 . .
    H H25A -0.3266 0.1879 0.1632 0.081 Uiso calc R 1 1 . .
    H H25B -0.1969 0.2419 0.2286 0.081 Uiso calc R 1 1 . .
    H H25C -0.2179 0.3071 0.1631 0.081 Uiso calc R 1 1 . .
    N N4 0.2139(3) 0.9307(3) 0.50788(14) 0.0444(7) Uani d . 1 1 . .
    N N5 0.1491(3) 0.9190(2) 0.61673(11) 0.0392(7) Uani d . 1 1 . .
    N N6 0.0099(3) 0.8051(3) 0.50982(14) 0.0418(7) Uani d . 1 1 . .
    C C26 0.3300(4) 1.0306(3) 0.54181(16) 0.0527(9) Uani d . 1 1 . .
    H H26A 0.2915 1.1117 0.5511 0.063 Uiso calc R 1 1 . .
    H H26B 0.4032 1.0338 0.5102 0.063 Uiso calc R 1 1 . .
    C C27 0.3971(3) 1.0049(3) 0.61136(15) 0.0548(10) Uani d . 1 1 . .
    H H27A 0.4757 1.0722 0.6365 0.066 Uiso calc R 1 1 . .
    H H27B 0.4386 0.9252 0.6018 0.066 Uiso calc R 1 1 . .
    C C28 0.2810(3) 0.9979(3) 0.65717(15) 0.0485(9) Uani d . 1 1 . .
    H H28A 0.3180 0.9642 0.6982 0.058 Uiso calc R 1 1 . .
    H H28B 0.2579 1.0829 0.6764 0.058 Uiso calc R 1 1 . .
    C C29 0.0369(4) 0.8974(3) 0.65895(15) 0.0492(9) Uani d . 1 1 . .
    H H29A 0.0336 0.9748 0.6954 0.059 Uiso calc R 1 1 . .
    H H29B 0.0613 0.8321 0.6842 0.059 Uiso calc R 1 1 . .
    C C30 -0.1094(4) 0.8573(3) 0.61245(15) 0.0484(9) Uani d . 1 1 . .
    H H30A -0.1461 0.9296 0.5973 0.058 Uiso calc R 1 1 . .
    H H30B -0.1784 0.8249 0.6399 0.058 Uiso calc R 1 1 . .
    C C31 -0.0971(4) 0.7569(3) 0.54713(15) 0.0481(9) Uani d . 1 1 . .
    H H31A -0.0674 0.6820 0.5619 0.058 Uiso calc R 1 1 . .
    H H31B -0.1916 0.7331 0.5151 0.058 Uiso calc R 1 1 . .
    C C32 0.1243(4) 0.8866(3) 0.54528(15) 0.0380(8) Uani d . 1 1 . .
    C C1AN -0.5773(5) 0.6466(4) 0.4939(2) 0.0603(10) Uani d . 1 1 . .
    N N1AN -0.4736(4) 0.6891(4) 0.5320(2) 0.0942(13) Uani d . 1 1 . .
    C C2AN -0.7089(4) 0.5903(4) 0.44558(18) 0.0683(11) Uani d . 1 1 . .
    H H2A1 -0.7914 0.6036 0.4707 0.102 Uiso calc R 1 1 . .
    H H2A2 -0.7055 0.5008 0.4286 0.102 Uiso calc R 1 1 . .
    H H2A3 -0.7192 0.6284 0.4047 0.102 Uiso calc R 1 1 . .
    H H1N4 0.204(3) 0.901(3) 0.4638(16) 0.056(10) Uiso d . 1 1 . .
    H H1N6 -0.007(4) 0.810(3) 0.4622(18) 0.074(12) Uiso d . 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Si1 O1 . 1.652(2) ?
    Si1 C15 . 1.853(3) ?
    Si1 C14 . 1.858(3) ?
    Si1 C16 . 1.877(3) ?
    Si2 O2 . 1.6516(18) ?
    Si2 C20 . 1.855(3) ?
    Si2 C21 . 1.857(3) ?
    Si2 C22 . 1.872(3) ?
    O1 C6 . 1.438(3) ?
    O2 C8 . 1.431(3) ?
    O3 N3 . 1.312(3) ?
    O4 N3 . 1.319(3) ?
    N1 C5 . 1.339(3) ?
    N1 C1 . 1.342(4) ?
    N2 C13 . 1.336(3) ?
    N2 C9 . 1.339(4) ?
    N3 C7 . 1.316(3) ?
    C1 C2 . 1.374(5) ?
    C1 H1A . 0.9500 ?
    C2 C3 . 1.367(5) ?
    C2 H2A . 0.9500 ?
    C3 C4 . 1.382(4) ?
    C3 H3A . 0.9500 ?
    C4 C5 . 1.378(4) ?
    C4 H4A . 0.9500 ?
    C5 C6 . 1.516(4) ?
    C6 C7 . 1.507(3) ?
    C6 H6A . 1.0000 ?
    C7 C8 . 1.500(4) ?
    C8 C9 . 1.523(4) ?
    C8 H8A . 1.0000 ?
    C9 C10 . 1.389(4) ?
    C10 C11 . 1.385(4) ?
    C10 H10A . 0.9500 ?
    C11 C12 . 1.371(5) ?
    C11 H11A . 0.9500 ?
    C12 C13 . 1.374(4) ?
    C12 H12A . 0.9500 ?
    C13 H13A . 0.9500 ?
    C14 H14A . 0.9800 ?
    C14 H14B . 0.9800 ?
    C14 H14C . 0.9800 ?
    C15 H15A . 0.9800 ?
    C15 H15B . 0.9800 ?
    C15 H15C . 0.9800 ?
    C16 C17 . 1.529(4) ?
    C16 C19 . 1.531(4) ?
    C16 C18 . 1.536(4) ?
    C17 H17A . 0.9800 ?
    C17 H17B . 0.9800 ?
    C17 H17C . 0.9800 ?
    C18 H18A . 0.9800 ?
    C18 H18B . 0.9800 ?
    C18 H18C . 0.9800 ?
    C19 H19A . 0.9800 ?
    C19 H19B . 0.9800 ?
    C19 H19C . 0.9800 ?
    C20 H20A . 0.9800 ?
    C20 H20B . 0.9800 ?
    C20 H20C . 0.9800 ?
    C21 H21A . 0.9800 ?
    C21 H21B . 0.9800 ?
    C21 H21C . 0.9800 ?
    C22 C25 . 1.537(4) ?
    C22 C23 . 1.536(4) ?
    C22 C24 . 1.546(4) ?
    C23 H23A . 0.9800 ?
    C23 H23B . 0.9800 ?
    C23 H23C . 0.9800 ?
    C24 H24A . 0.9800 ?
    C24 H24B . 0.9800 ?
    C24 H24C . 0.9800 ?
    C25 H25A . 0.9800 ?
    C25 H25B . 0.9800 ?
    C25 H25C . 0.9800 ?
    N4 C32 . 1.320(4) ?
    N4 C26 . 1.454(4) ?
    N4 H1N4 . 0.83(3) ?
    N5 C32 . 1.335(3) ?
    N5 C29 . 1.463(4) ?
    N5 C28 . 1.467(4) ?
    N6 C32 . 1.339(4) ?
    N6 C31 . 1.455(4) ?
    N6 H1N6 . 0.93(3) ?
    C26 C27 . 1.510(4) ?
    C26 H26A . 0.9900 ?
    C26 H26B . 0.9900 ?
    C27 C28 . 1.513(4) ?
    C27 H27A . 0.9900 ?
    C27 H27B . 0.9900 ?
    C28 H28A . 0.9900 ?
    C28 H28B . 0.9900 ?
    C29 C30 . 1.509(4) ?
    C29 H29A . 0.9900 ?
    C29 H29B . 0.9900 ?
    C30 C31 . 1.516(4) ?
    C30 H30A . 0.9900 ?
    C30 H30B . 0.9900 ?
    C31 H31A . 0.9900 ?
    C31 H31B . 0.9900 ?
    C1AN N1AN . 1.133(5) ?
    C1AN C2AN . 1.442(5) ?
    C2AN H2A1 . 0.9800 ?
    C2AN H2A2 . 0.9800 ?
    C2AN H2A3 . 0.9800 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1 Si1 C15 . . 108.18(12) ?
    O1 Si1 C14 . . 109.79(13) ?
    C15 Si1 C14 . . 110.35(15) ?
    O1 Si1 C16 . . 105.85(12) ?
    C15 Si1 C16 . . 112.70(14) ?
    C14 Si1 C16 . . 109.84(13) ?
    O2 Si2 C20 . . 110.59(13) ?
    O2 Si2 C21 . . 112.33(13) ?
    C20 Si2 C21 . . 107.53(14) ?
    O2 Si2 C22 . . 103.46(11) ?
    C20 Si2 C22 . . 112.02(15) ?
    C21 Si2 C22 . . 110.96(15) ?
    C6 O1 Si1 . . 119.55(16) ?
    C8 O2 Si2 . . 125.65(15) ?
    C5 N1 C1 . . 117.1(3) ?
    C13 N2 C9 . . 116.7(3) ?
    O3 N3 C7 . . 123.0(2) ?
    O3 N3 O4 . . 115.57(19) ?
    C7 N3 O4 . . 121.5(2) ?
    N1 C1 C2 . . 124.0(3) ?
    N1 C1 H1A . . 118.0 ?
    C2 C1 H1A . . 118.0 ?
    C3 C2 C1 . . 118.1(3) ?
    C3 C2 H2A . . 121.0 ?
    C1 C2 H2A . . 121.0 ?
    C2 C3 C4 . . 119.3(3) ?
    C2 C3 H3A . . 120.4 ?
    C4 C3 H3A . . 120.4 ?
    C5 C4 C3 . . 119.1(3) ?
    C5 C4 H4A . . 120.5 ?
    C3 C4 H4A . . 120.5 ?
    N1 C5 C4 . . 122.5(3) ?
    N1 C5 C6 . . 114.1(2) ?
    C4 C5 C6 . . 123.4(3) ?
    O1 C6 C7 . . 111.7(2) ?
    O1 C6 C5 . . 108.84(19) ?
    C7 C6 C5 . . 112.2(2) ?
    O1 C6 H6A . . 108.0 ?
    C7 C6 H6A . . 108.0 ?
    C5 C6 H6A . . 108.0 ?
    N3 C7 C8 . . 117.4(2) ?
    N3 C7 C6 . . 117.9(2) ?
    C8 C7 C6 . . 124.6(2) ?
    O2 C8 C7 . . 111.9(2) ?
    O2 C8 C9 . . 109.0(2) ?
    C7 C8 C9 . . 114.3(2) ?
    O2 C8 H8A . . 107.1 ?
    C7 C8 H8A . . 107.1 ?
    C9 C8 H8A . . 107.1 ?
    N2 C9 C10 . . 123.3(3) ?
    N2 C9 C8 . . 114.3(2) ?
    C10 C9 C8 . . 122.2(3) ?
    C11 C10 C9 . . 118.2(3) ?
    C11 C10 H10A . . 120.9 ?
    C9 C10 H10A . . 120.9 ?
    C12 C11 C10 . . 119.1(3) ?
    C12 C11 H11A . . 120.5 ?
    C10 C11 H11A . . 120.5 ?
    C13 C12 C11 . . 118.6(3) ?
    C13 C12 H12A . . 120.7 ?
    C11 C12 H12A . . 120.7 ?
    N2 C13 C12 . . 124.0(3) ?
    N2 C13 H13A . . 118.0 ?
    C12 C13 H13A . . 118.0 ?
    Si1 C14 H14A . . 109.5 ?
    Si1 C14 H14B . . 109.5 ?
    H14A C14 H14B . . 109.5 ?
    Si1 C14 H14C . . 109.5 ?
    H14A C14 H14C . . 109.5 ?
    H14B C14 H14C . . 109.5 ?
    Si1 C15 H15A . . 109.5 ?
    Si1 C15 H15B . . 109.5 ?
    H15A C15 H15B . . 109.5 ?
    Si1 C15 H15C . . 109.5 ?
    H15A C15 H15C . . 109.5 ?
    H15B C15 H15C . . 109.5 ?
    C17 C16 C19 . . 109.4(3) ?
    C17 C16 C18 . . 108.9(2) ?
    C19 C16 C18 . . 108.0(3) ?
    C17 C16 Si1 . . 109.8(2) ?
    C19 C16 Si1 . . 110.93(18) ?
    C18 C16 Si1 . . 109.7(2) ?
    C16 C17 H17A . . 109.5 ?
    C16 C17 H17B . . 109.5 ?
    H17A C17 H17B . . 109.5 ?
    C16 C17 H17C . . 109.5 ?
    H17A C17 H17C . . 109.5 ?
    H17B C17 H17C . . 109.5 ?
    C16 C18 H18A . . 109.5 ?
    C16 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 109.5 ?
    C16 C18 H18C . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
    C16 C19 H19A . . 109.5 ?
    C16 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    C16 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    Si2 C20 H20A . . 109.5 ?
    Si2 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 109.5 ?
    Si2 C20 H20C . . 109.5 ?
    H20A C20 H20C . . 109.5 ?
    H20B C20 H20C . . 109.5 ?
    Si2 C21 H21A . . 109.5 ?
    Si2 C21 H21B . . 109.5 ?
    H21A C21 H21B . . 109.5 ?
    Si2 C21 H21C . . 109.5 ?
    H21A C21 H21C . . 109.5 ?
    H21B C21 H21C . . 109.5 ?
    C25 C22 C23 . . 109.5(3) ?
    C25 C22 C24 . . 108.0(3) ?
    C23 C22 C24 . . 108.8(3) ?
    C25 C22 Si2 . . 110.7(2) ?
    C23 C22 Si2 . . 109.7(2) ?
    C24 C22 Si2 . . 110.1(2) ?
    C22 C23 H23A . . 109.5 ?
    C22 C23 H23B . . 109.5 ?
    H23A C23 H23B . . 109.5 ?
    C22 C23 H23C . . 109.5 ?
    H23A C23 H23C . . 109.5 ?
    H23B C23 H23C . . 109.5 ?
    C22 C24 H24A . . 109.5 ?
    C22 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 109.5 ?
    C22 C24 H24C . . 109.5 ?
    H24A C24 H24C . . 109.5 ?
    H24B C24 H24C . . 109.5 ?
    C22 C25 H25A . . 109.5 ?
    C22 C25 H25B . . 109.5 ?
    H25A C25 H25B . . 109.5 ?
    C22 C25 H25C . . 109.5 ?
    H25A C25 H25C . . 109.5 ?
    H25B C25 H25C . . 109.5 ?
    C32 N4 C26 . . 121.4(3) ?
    C32 N4 H1N4 . . 120(2) ?
    C26 N4 H1N4 . . 119(2) ?
    C32 N5 C29 . . 122.0(3) ?
    C32 N5 C28 . . 121.8(3) ?
    C29 N5 C28 . . 115.3(2) ?
    C32 N6 C31 . . 121.5(3) ?
    C32 N6 H1N6 . . 110(2) ?
    C31 N6 H1N6 . . 125(2) ?
    N4 C26 C27 . . 107.7(3) ?
    N4 C26 H26A . . 110.2 ?
    C27 C26 H26A . . 110.2 ?
    N4 C26 H26B . . 110.2 ?
    C27 C26 H26B . . 110.2 ?
    H26A C26 H26B . . 108.5 ?
    C26 C27 C28 . . 108.4(3) ?
    C26 C27 H27A . . 110.0 ?
    C28 C27 H27A . . 110.0 ?
    C26 C27 H27B . . 110.0 ?
    C28 C27 H27B . . 110.0 ?
    H27A C27 H27B . . 108.4 ?
    N5 C28 C27 . . 112.0(2) ?
    N5 C28 H28A . . 109.2 ?
    C27 C28 H28A . . 109.2 ?
    N5 C28 H28B . . 109.2 ?
    C27 C28 H28B . . 109.2 ?
    H28A C28 H28B . . 107.9 ?
    N5 C29 C30 . . 111.5(2) ?
    N5 C29 H29A . . 109.3 ?
    C30 C29 H29A . . 109.3 ?
    N5 C29 H29B . . 109.3 ?
    C30 C29 H29B . . 109.3 ?
    H29A C29 H29B . . 108.0 ?
    C29 C30 C31 . . 109.5(3) ?
    C29 C30 H30A . . 109.8 ?
    C31 C30 H30A . . 109.8 ?
    C29 C30 H30B . . 109.8 ?
    C31 C30 H30B . . 109.8 ?
    H30A C30 H30B . . 108.2 ?
    N6 C31 C30 . . 108.6(3) ?
    N6 C31 H31A . . 110.0 ?
    C30 C31 H31A . . 110.0 ?
    N6 C31 H31B . . 110.0 ?
    C30 C31 H31B . . 110.0 ?
    H31A C31 H31B . . 108.4 ?
    N4 C32 N5 . . 121.1(3) ?
    N4 C32 N6 . . 118.3(3) ?
    N5 C32 N6 . . 120.5(3) ?
    N1AN C1AN C2AN . . 178.9(5) ?
    C1AN C2AN H2A1 . . 109.5 ?
    C1AN C2AN H2A2 . . 109.5 ?
    H2A1 C2AN H2A2 . . 109.5 ?
    C1AN C2AN H2A3 . . 109.5 ?
    H2A1 C2AN H2A3 . . 109.5 ?
    H2A2 C2AN H2A3 . . 109.5 ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    N4 H1N4 O3 . 0.83(3) 1.94(3) 2.772(3) 172(3)
    N6 H1N6 O4 . 0.93(3) 1.80(3) 2.732(3) 178(3)
data_global
_journal_date_recd_electronic     2011-07-18
_journal_date_accepted     2011-08-19
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue      9
_journal_page_first     o2396
_journal_page_last     o2396
_journal_paper_category     QO
_journal_coeditor_code     NK2105
_publ_contact_author_name     'Martin Schulz'
_publ_contact_author_address
;
Institut für Anorganische und Analytische Chemie,
Friedrich-Schiller-Universität
Jena, August-Bebel-Str. 2, 07743 Jena, Germany
;
_publ_contact_author_email     'martin.schulz@dcu.ie'
_publ_contact_author_fax     ?
_publ_contact_author_phone     '+353 17008310'
_publ_section_title
;\
A hydrogen-bridged adduct
3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium
[1,3-bis(tert-butyldimethylsilyloxy)-1,3-bis(pyridin-2-yl)propan-2-\
ylidene]nitronate acetonitrile monosolvate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Schulz, Martin' ?
;
Institut für Anorganische und Analytische Chemie,
Friedrich-Schiller-Universität
Jena, Humboldt-Strasse 8, 07743 Jena, Germany
;
    'Görls, Helmar' .
;
Institut für Anorganische und Analytische Chemie,
Friedrich-Schiller-Universität
Jena, Humboldt-Strasse 8, 07743 Jena, Germany
;
    'Westerhausen, Matthias' .
;
Institut für Anorganische und Analytische Chemie,
Friedrich-Schiller-Universität
Jena, Humboldt-Strasse 8, 07743 Jena, Germany
;
_publ_section_synopsis     .
