##############################################################################
#                                                                            #
# 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
;
Poly[di-μ₂-aqua-μ₂-(5-methylpyrazine-2-carboxylato)-
(5-methylpyrazine-2-carboxylato)-μ₃-nitrato-trilithium]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C12 H14 Li3 N5 O9'
_chemical_formula_sum     'C12 H14 Li3 N5 O9'
_chemical_formula_iupac     '[Li3 (C6 H5 N2 O2)2 (N O3) (H2 O)2]'
_chemical_formula_weight     393.10
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     13.02220(10)
_cell_length_b     7.22880(10)
_cell_length_c     18.5819(2)
_cell_angle_alpha     90.00
_cell_angle_beta     100.7600(10)
_cell_angle_gamma     90.00
_cell_volume     1718.45(3)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min     ?
_cell_measurement_theta_max     ?
_cell_measurement_temperature     293(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.227
_exptl_crystal_size_mid     0.195
_exptl_crystal_size_min     0.069
_exptl_crystal_density_diffrn     1.519
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     808
_exptl_absorpt_coefficient_mu     1.095
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2010)
;
_exptl_absorpt_correction_T_min     0.67179
_exptl_absorpt_correction_T_max     1.00000
_exptl_special_details
;
(CrysAlis PRO; Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_source     'Enhance (Cu) X-ray Source'
_diffrn_radiation_monochromator     'graphite'
_diffrn_measurement_device_type     'Oxford Diffraction Xcalibur Ruby'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     10.4922
_diffrn_reflns_number     15696
_diffrn_reflns_av_R_equivalents     0.0259
_diffrn_reflns_av_sigmaI/netI     0.0134
_diffrn_reflns_theta_min     3.45
_diffrn_reflns_theta_max     70.05
_diffrn_reflns_theta_full     70.05
_diffrn_measured_fraction_theta_max     0.986
_diffrn_measured_fraction_theta_full     0.986
_diffrn_reflns_limit_h_min     -15
_diffrn_reflns_limit_h_max     15
_diffrn_reflns_limit_k_min     -8
_diffrn_reflns_limit_k_max     7
_diffrn_reflns_limit_l_min     -22
_diffrn_reflns_limit_l_max     22
_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     3215
_reflns_number_gt     2787
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0447
_refine_ls_R_factor_gt     0.0397
_refine_ls_wR_factor_gt     0.1183
_refine_ls_wR_factor_ref     0.1217
_refine_ls_goodness_of_fit_ref     1.065
_refine_ls_restrained_S_all     1.065
_refine_ls_number_reflns     3215
_refine_ls_number_parameters     277
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0709P)²+0.4840P] 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     0.346
_refine_diff_density_min     -0.307
_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' 0.0181 0.0091
                         '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'
    'Li' 'Li' 0.0008 0.0003
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0311 0.0180
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0492 0.0322
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_cell_refinement     'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_data_reduction     'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (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
    Li Li1 0.90455(19) 0.0331(4) 1.03878(13) 0.0379(6) Uani d . 1 1 . .
    Li Li2 0.7564(2) -0.2877(4) 0.97211(14) 0.0373(6) Uani d . 1 1 . .
    Li Li3 0.6256(2) 0.0936(5) 0.92945(15) 0.0486(7) Uani d . 1 1 . .
    O O31 0.47521(9) 0.15187(19) 0.91969(6) 0.0482(3) Uani d . 1 1 . .
    O O32 0.32570(9) 0.1336(2) 0.83857(6) 0.0519(4) Uani d . 1 1 . .
    N N31 0.58804(10) 0.1142(2) 0.81387(7) 0.0371(3) Uani d . 1 1 . .
    C C32 0.48413(11) 0.1347(2) 0.79451(8) 0.0324(3) Uani d . 1 1 . .
    C C33 0.43759(12) 0.1538(2) 0.72158(8) 0.0392(4) Uani d . 1 1 . .
    H H33 0.3653 0.1662 0.7095 0.047 Uiso calc R 1 1 . .
    N N32 0.49310(11) 0.1548(2) 0.66817(7) 0.0419(3) Uani d . 1 1 . .
    C C35 0.59618(13) 0.1305(2) 0.68670(9) 0.0378(4) Uani d . 1 1 . .
    C C36 0.64232(12) 0.1096(2) 0.76008(9) 0.0407(4) Uani d . 1 1 . .
    H H36 0.7142 0.0918 0.7720 0.049 Uiso calc R 1 1 . .
    C C37 0.42190(12) 0.1403(2) 0.85605(8) 0.0357(4) Uani d . 1 1 . .
    C C38 0.65821(16) 0.1281(3) 0.62641(10) 0.0541(5) Uani d . 1 1 . .
    H H38A 0.7279 0.0859 0.6454 0.081 Uiso calc R 1 1 . .
    H H38B 0.6609 0.2506 0.6070 0.081 Uiso calc R 1 1 . .
    H H38C 0.6256 0.0461 0.5882 0.081 Uiso calc R 1 1 . .
    O O12 1.20280(8) 0.20920(18) 1.11942(6) 0.0430(3) Uani d . 1 1 . .
    O O11 1.05909(8) 0.09788(18) 1.04975(6) 0.0440(3) Uani d . 1 1 . .
    N N11 0.95349(10) 0.11349(19) 1.15973(7) 0.0353(3) Uani d . 1 1 . .
    N N1 0.77531(11) 0.3393(2) 0.98615(7) 0.0428(4) Uani d . 1 1 . .
    O O1 0.76826(9) 0.16678(16) 0.98797(6) 0.0457(3) Uani d . 1 1 . .
    O O2 0.70264(13) 0.4302(2) 0.95323(9) 0.0748(5) Uani d . 1 1 . .
    O O3 0.85484(14) 0.4171(3) 1.01733(9) 0.0840(6) Uani d . 1 1 . .
    O O5 0.61725(8) -0.17265(17) 0.96171(6) 0.0378(3) Uani d . 1 1 . .
    H H51 0.5869(17) -0.177(3) 0.9989(13) 0.057 Uiso d . 1 1 . .
    H H52 0.5778(18) -0.236(3) 0.9301(13) 0.057 Uiso d . 1 1 . .
    O O4 0.81382(9) -0.18568(16) 1.06931(5) 0.0335(3) Uani d . 1 1 . .
    C C15 0.95823(13) 0.1348(2) 1.28881(8) 0.0373(4) Uani d . 1 1 . .
    C C12 1.05656(11) 0.1468(2) 1.17399(7) 0.0295(3) Uani d . 1 1 . .
    C C16 0.90570(12) 0.1100(2) 1.21690(9) 0.0401(4) Uani d . 1 1 . .
    H H16 0.8339 0.0900 1.2086 0.048 Uiso calc R 1 1 . .
    C C13 1.10941(12) 0.1720(2) 1.24494(8) 0.0360(4) Uani d . 1 1 . .
    H H13 1.1809 0.1954 1.2531 0.043 Uiso calc R 1 1 . .
    C C17 1.11144(11) 0.1522(2) 1.10905(7) 0.0302(3) Uani d . 1 1 . .
    N N12 1.06118(11) 0.1639(2) 1.30230(7) 0.0402(3) Uani d . 1 1 . .
    C C18 0.90366(16) 0.1308(3) 1.35290(10) 0.0538(5) Uani d . 1 1 . .
    H H18A 0.9461 0.0659 1.3928 0.081 Uiso calc R 1 1 . .
    H H18B 0.8377 0.0688 1.3393 0.081 Uiso calc R 1 1 . .
    H H18C 0.8922 0.2551 1.3678 0.081 Uiso calc R 1 1 . .
    H H42 0.8562(17) -0.250(3) 1.0999(12) 0.050(5) Uiso d . 1 1 . .
    H H41 0.7640(17) -0.161(3) 1.0912(11) 0.048(5) 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
    Li1 O11 3_757 2.029(3) y
    Li1 O11 . 2.039(3) y
    Li1 O1 . 2.085(3) y
    Li1 O4 . 2.114(3) y
    Li1 N11 . 2.293(3) y
    Li1 Li1 3_757 3.134(5) ?
    Li2 O12 3_757 1.958(3) y
    Li2 O4 . 1.965(3) y
    Li2 O5 . 1.970(3) y
    Li2 O2 1_545 2.163(3) y
    Li2 O3 1_545 2.550(4) ?
    Li2 C17 3_757 2.677(3) ?
    Li2 N1 1_545 2.715(3) ?
    Li2 H52 . 2.34(2) ?
    Li3 O31 . 1.978(3) y
    Li3 O5 . 2.025(4) y
    Li3 O1 . 2.039(3) y
    Li3 N31 . 2.117(3) y
    Li3 O2 . 2.637(4) ?
    O31 C37 . 1.2573(19) ?
    O32 C37 . 1.2351(19) ?
    N31 C36 . 1.328(2) ?
    N31 C32 . 1.3419(19) ?
    C32 C33 . 1.384(2) ?
    C32 C37 . 1.5205(19) ?
    C33 N32 . 1.332(2) ?
    C33 H33 . 0.9300 ?
    N32 C35 . 1.334(2) ?
    C35 C36 . 1.392(2) ?
    C35 C38 . 1.498(2) ?
    C36 H36 . 0.9300 ?
    C38 H38A . 0.9600 ?
    C38 H38B . 0.9600 ?
    C38 H38C . 0.9600 ?
    O12 C17 . 1.2397(18) ?
    O12 Li2 3_757 1.958(3) ?
    O11 C17 . 1.2460(18) ?
    O11 Li1 3_757 2.029(3) ?
    N11 C16 . 1.328(2) ?
    N11 C12 . 1.3404(19) ?
    N1 O2 . 1.219(2) ?
    N1 O3 . 1.225(2) ?
    N1 O1 . 1.2516(19) ?
    N1 Li2 1_565 2.715(3) ?
    O2 Li2 1_565 2.163(3) ?
    O3 Li2 1_565 2.550(4) ?
    O5 H51 . 0.86(2) ?
    O5 H52 . 0.84(2) ?
    O4 H42 . 0.85(2) ?
    O4 H41 . 0.85(2) ?
    C15 N12 . 1.334(2) ?
    C15 C16 . 1.394(2) ?
    C15 C18 . 1.497(2) ?
    C12 C13 . 1.381(2) ?
    C12 C17 . 1.5134(18) ?
    C16 H16 . 0.9300 ?
    C13 N12 . 1.336(2) ?
    C13 H13 . 0.9300 ?
    C17 Li2 3_757 2.677(3) ?
    C18 H18A . 0.9600 ?
    C18 H18B . 0.9600 ?
    C18 H18C . 0.9600 ?
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
    O11 Li1 O11 3_757 . 79.21(10) ?
    O11 Li1 O1 3_757 . 99.02(11) ?
    O11 Li1 O1 . . 132.82(15) ?
    O11 Li1 O4 3_757 . 95.45(12) ?
    O11 Li1 O4 . . 137.34(15) ?
    O1 Li1 O4 . . 89.83(11) ?
    O11 Li1 N11 3_757 . 148.03(14) ?
    O11 Li1 N11 . . 75.84(9) ?
    O1 Li1 N11 . . 112.56(12) ?
    O4 Li1 N11 . . 89.63(10) ?
    O11 Li1 Li1 3_757 3_757 39.72(7) ?
    O11 Li1 Li1 . 3_757 39.50(7) ?
    O1 Li1 Li1 . 3_757 122.93(15) ?
    O4 Li1 Li1 . 3_757 122.68(16) ?
    N11 Li1 Li1 . 3_757 112.96(13) ?
    O12 Li2 O4 3_757 . 124.82(15) ?
    O12 Li2 O5 3_757 . 100.73(13) ?
    O4 Li2 O5 . . 96.72(12) ?
    O12 Li2 O2 3_757 1_545 105.34(13) ?
    O4 Li2 O2 . 1_545 123.98(14) ?
    O5 Li2 O2 . 1_545 96.79(12) ?
    O12 Li2 O3 3_757 1_545 109.12(12) ?
    O4 Li2 O3 . 1_545 85.96(11) ?
    O5 Li2 O3 . 1_545 141.47(14) ?
    O2 Li2 O3 1_545 1_545 52.56(8) ?
    O12 Li2 C17 3_757 3_757 25.49(5) ?
    O4 Li2 C17 . 3_757 101.89(11) ?
    O5 Li2 C17 . 3_757 117.81(13) ?
    O2 Li2 C17 1_545 3_757 118.44(11) ?
    O3 Li2 C17 1_545 3_757 98.94(10) ?
    O12 Li2 N1 3_757 1_545 109.68(12) ?
    O4 Li2 N1 . 1_545 105.79(12) ?
    O5 Li2 N1 . 1_545 119.60(13) ?
    O2 Li2 N1 1_545 1_545 25.90(6) ?
    O3 Li2 N1 1_545 1_545 26.66(5) ?
    C17 Li2 N1 3_757 1_545 111.17(10) ?
    O12 Li2 H52 3_757 . 94.5(6) ?
    O4 Li2 H52 . . 115.4(6) ?
    O5 Li2 H52 . . 20.1(6) ?
    O2 Li2 H52 1_545 . 80.0(6) ?
    O3 Li2 H52 1_545 . 130.7(6) ?
    C17 Li2 H52 3_757 . 117.2(6) ?
    N1 Li2 H52 1_545 . 105.0(6) ?
    O31 Li3 O5 . . 97.02(14) ?
    O31 Li3 O1 . . 141.39(18) ?
    O5 Li3 O1 . . 100.53(13) ?
    O31 Li3 N31 . . 81.64(11) ?
    O5 Li3 N31 . . 110.61(16) ?
    O1 Li3 N31 . . 122.54(15) ?
    O31 Li3 O2 . . 99.10(14) ?
    O5 Li3 O2 . . 150.13(14) ?
    O1 Li3 O2 . . 52.51(9) ?
    N31 Li3 O2 . . 96.54(13) ?
    C37 O31 Li3 . . 115.81(12) ?
    C36 N31 C32 . . 116.92(13) ?
    C36 N31 Li3 . . 135.00(13) ?
    C32 N31 Li3 . . 108.08(12) ?
    N31 C32 C33 . . 120.58(13) ?
    N31 C32 C37 . . 116.98(12) ?
    C33 C32 C37 . . 122.43(13) ?
    N32 C33 C32 . . 122.04(14) ?
    N32 C33 H33 . . 119.0 ?
    C32 C33 H33 . . 119.0 ?
    C33 N32 C35 . . 117.83(13) ?
    N32 C35 C36 . . 119.78(14) ?
    N32 C35 C38 . . 117.75(15) ?
    C36 C35 C38 . . 122.47(15) ?
    N31 C36 C35 . . 122.80(14) ?
    N31 C36 H36 . . 118.6 ?
    C35 C36 H36 . . 118.6 ?
    O32 C37 O31 . . 127.21(13) ?
    O32 C37 C32 . . 117.25(13) ?
    O31 C37 C32 . . 115.53(13) ?
    C35 C38 H38A . . 109.5 ?
    C35 C38 H38B . . 109.5 ?
    H38A C38 H38B . . 109.5 ?
    C35 C38 H38C . . 109.5 ?
    H38A C38 H38C . . 109.5 ?
    H38B C38 H38C . . 109.5 ?
    C17 O12 Li2 . 3_757 111.69(12) ?
    C17 O11 Li1 . 3_757 133.79(12) ?
    C17 O11 Li1 . . 121.84(11) ?
    Li1 O11 Li1 3_757 . 100.79(10) ?
    C16 N11 C12 . . 116.54(13) ?
    C16 N11 Li1 . . 133.87(12) ?
    C12 N11 Li1 . . 108.90(11) ?
    O2 N1 O3 . . 119.92(19) ?
    O2 N1 O1 . . 119.79(17) ?
    O3 N1 O1 . . 120.29(17) ?
    O2 N1 Li2 . 1_565 50.83(12) ?
    O3 N1 Li2 . 1_565 69.11(13) ?
    O1 N1 Li2 . 1_565 170.49(13) ?
    N1 O1 Li3 . . 107.95(14) ?
    N1 O1 Li1 . . 114.41(13) ?
    Li3 O1 Li1 . . 137.29(14) ?
    N1 O2 Li2 . 1_565 103.26(16) ?
    N1 O2 Li3 . . 79.75(13) ?
    Li2 O2 Li3 1_565 . 176.60(12) ?
    N1 O3 Li2 . 1_565 84.22(14) ?
    Li2 O5 Li3 . . 109.33(13) ?
    Li2 O5 H51 . . 117.3(14) ?
    Li3 O5 H51 . . 109.4(14) ?
    Li2 O5 H52 . . 105.8(15) ?
    Li3 O5 H52 . . 111.6(15) ?
    H51 O5 H52 . . 103(2) ?
    Li2 O4 Li1 . . 99.79(11) ?
    Li2 O4 H42 . . 119.7(14) ?
    Li1 O4 H42 . . 105.3(14) ?
    Li2 O4 H41 . . 109.1(14) ?
    Li1 O4 H41 . . 119.0(14) ?
    H42 O4 H41 . . 104.7(19) ?
    N12 C15 C16 . . 119.77(13) ?
    N12 C15 C18 . . 117.61(15) ?
    C16 C15 C18 . . 122.62(15) ?
    N11 C12 C13 . . 120.98(13) ?
    N11 C12 C17 . . 116.84(12) ?
    C13 C12 C17 . . 122.18(13) ?
    N11 C16 C15 . . 123.00(14) ?
    N11 C16 H16 . . 118.5 ?
    C15 C16 H16 . . 118.5 ?
    N12 C13 C12 . . 122.10(14) ?
    N12 C13 H13 . . 119.0 ?
    C12 C13 H13 . . 119.0 ?
    O12 C17 O11 . . 126.37(13) ?
    O12 C17 C12 . . 117.84(12) ?
    O11 C17 C12 . . 115.79(13) ?
    O12 C17 Li2 . 3_757 42.82(9) ?
    O11 C17 Li2 . 3_757 85.43(10) ?
    C12 C17 Li2 . 3_757 155.18(12) ?
    C15 N12 C13 . . 117.58(13) ?
    C15 C18 H18A . . 109.5 ?
    C15 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 109.5 ?
    C15 C18 H18C . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O5 Li3 O31 C37 . . . . -97.15(15) ?
    O1 Li3 O31 C37 . . . . 146.2(2) ?
    N31 Li3 O31 C37 . . . . 12.75(18) ?
    O2 Li3 O31 C37 . . . . 108.09(15) ?
    O31 Li3 N31 C36 . . . . 174.23(18) ?
    O5 Li3 N31 C36 . . . . -91.4(2) ?
    O1 Li3 N31 C36 . . . . 26.8(3) ?
    O2 Li3 N31 C36 . . . . 75.9(2) ?
    O31 Li3 N31 C32 . . . . -6.47(16) ?
    O5 Li3 N31 C32 . . . . 87.93(16) ?
    O1 Li3 N31 C32 . . . . -153.94(18) ?
    O2 Li3 N31 C32 . . . . -104.75(13) ?
    C36 N31 C32 C33 . . . . -1.3(2) ?
    Li3 N31 C32 C33 . . . . 179.29(17) ?
    C36 N31 C32 C37 . . . . -179.90(15) ?
    Li3 N31 C32 C37 . . . . 0.65(19) ?
    N31 C32 C33 N32 . . . . -0.8(3) ?
    C37 C32 C33 N32 . . . . 177.77(15) ?
    C32 C33 N32 C35 . . . . 2.2(3) ?
    C33 N32 C35 C36 . . . . -1.5(2) ?
    C33 N32 C35 C38 . . . . 178.88(17) ?
    C32 N31 C36 C35 . . . . 1.9(3) ?
    Li3 N31 C36 C35 . . . . -178.82(18) ?
    N32 C35 C36 N31 . . . . -0.5(3) ?
    C38 C35 C36 N31 . . . . 179.02(17) ?
    Li3 O31 C37 O32 . . . . 164.44(18) ?
    Li3 O31 C37 C32 . . . . -15.7(2) ?
    N31 C32 C37 O32 . . . . -170.32(15) ?
    C33 C32 C37 O32 . . . . 11.1(2) ?
    N31 C32 C37 O31 . . . . 9.8(2) ?
    C33 C32 C37 O31 . . . . -168.76(16) ?
    O11 Li1 O11 C17 3_757 . . . -161.36(16) ?
    O1 Li1 O11 C17 . . . . 106.3(2) ?
    O4 Li1 O11 C17 . . . . -75.0(2) ?
    N11 Li1 O11 C17 . . . . -1.51(16) ?
    Li1 Li1 O11 C17 3_757 . . . -161.36(16) ?
    O11 Li1 O11 Li1 3_757 . . 3_757 0.0 ?
    O1 Li1 O11 Li1 . . . 3_757 -92.35(18) ?
    O4 Li1 O11 Li1 . . . 3_757 86.3(2) ?
    N11 Li1 O11 Li1 . . . 3_757 159.85(14) ?
    O11 Li1 N11 C16 3_757 . . . -134.3(3) ?
    O11 Li1 N11 C16 . . . . -174.07(17) ?
    O1 Li1 N11 C16 . . . . 55.1(2) ?
    O4 Li1 N11 C16 . . . . -34.6(2) ?
    Li1 Li1 N11 C16 3_757 . . . -160.31(17) ?
    O11 Li1 N11 C12 3_757 . . . 35.6(3) ?
    O11 Li1 N11 C12 . . . . -4.18(14) ?
    O1 Li1 N11 C12 . . . . -135.04(14) ?
    O4 Li1 N11 C12 . . . . 135.30(12) ?
    Li1 Li1 N11 C12 3_757 . . . 9.6(2) ?
    O2 N1 O1 Li3 . . . . 0.43(18) ?
    O3 N1 O1 Li3 . . . . -179.62(14) ?
    Li2 N1 O1 Li3 1_565 . . . 9.6(7) ?
    O2 N1 O1 Li1 . . . . 174.88(13) ?
    O3 N1 O1 Li1 . . . . -5.17(19) ?
    Li2 N1 O1 Li1 1_565 . . . -175.9(6) ?
    O31 Li3 O1 N1 . . . . -50.3(3) ?
    O5 Li3 O1 N1 . . . . -165.93(12) ?
    N31 Li3 O1 N1 . . . . 71.2(2) ?
    O2 Li3 O1 N1 . . . . -0.22(9) ?
    O31 Li3 O1 Li1 . . . . 137.1(2) ?
    O5 Li3 O1 Li1 . . . . 21.5(2) ?
    N31 Li3 O1 Li1 . . . . -101.4(2) ?
    O2 Li3 O1 Li1 . . . . -172.75(16) ?
    O11 Li1 O1 N1 3_757 . . . -112.83(13) ?
    O11 Li1 O1 N1 . . . . -29.2(2) ?
    O4 Li1 O1 N1 . . . . 151.67(11) ?
    N11 Li1 O1 N1 . . . . 62.14(16) ?
    Li1 Li1 O1 N1 3_757 . . . -78.4(2) ?
    O11 Li1 O1 Li3 3_757 . . . 59.4(2) ?
    O11 Li1 O1 Li3 . . . . 142.98(18) ?
    O4 Li1 O1 Li3 . . . . -36.13(18) ?
    N11 Li1 O1 Li3 . . . . -125.66(17) ?
    Li1 Li1 O1 Li3 3_757 . . . 93.8(2) ?
    O3 N1 O2 Li2 . . . 1_565 -1.90(17) ?
    O1 N1 O2 Li2 . . . 1_565 178.05(12) ?
    O3 N1 O2 Li3 . . . . 179.73(15) ?
    O1 N1 O2 Li3 . . . . -0.32(13) ?
    Li2 N1 O2 Li3 1_565 . . . -178.38(12) ?
    O31 Li3 O2 N1 . . . . 151.21(13) ?
    O5 Li3 O2 N1 . . . . 29.4(3) ?
    O1 Li3 O2 N1 . . . . 0.22(9) ?
    N31 Li3 O2 N1 . . . . -126.25(13) ?
    O31 Li3 O2 Li2 . . . 1_565 -1(2) ?
    O5 Li3 O2 Li2 . . . 1_565 -122.9(18) ?
    O1 Li3 O2 Li2 . . . 1_565 -152.1(19) ?
    N31 Li3 O2 Li2 . . . 1_565 81.4(19) ?
    O2 N1 O3 Li2 . . . 1_565 1.58(14) ?
    O1 N1 O3 Li2 . . . 1_565 -178.38(13) ?
    O12 Li2 O5 Li3 3_757 . . . -46.98(16) ?
    O4 Li2 O5 Li3 . . . . 80.43(14) ?
    O2 Li2 O5 Li3 1_545 . . . -154.06(12) ?
    O3 Li2 O5 Li3 1_545 . . . 172.38(19) ?
    C17 Li2 O5 Li3 3_757 . . . -26.82(17) ?
    N1 Li2 O5 Li3 1_545 . . . -167.10(12) ?
    O31 Li3 O5 Li2 . . . . 176.72(12) ?
    O1 Li3 O5 Li2 . . . . -37.82(15) ?
    N31 Li3 O5 Li2 . . . . 93.04(15) ?
    O2 Li3 O5 Li2 . . . . -61.0(3) ?
    O12 Li2 O4 Li1 3_757 . . . 7.0(2) ?
    O5 Li2 O4 Li1 . . . . -101.06(12) ?
    O2 Li2 O4 Li1 1_545 . . . 156.06(15) ?
    O3 Li2 O4 Li1 1_545 . . . 117.56(10) ?
    C17 Li2 O4 Li1 3_757 . . . 19.27(13) ?
    N1 Li2 O4 Li1 1_545 . . . 135.57(11) ?
    O11 Li1 O4 Li2 3_757 . . . -32.20(13) ?
    O11 Li1 O4 Li2 . . . . -112.19(19) ?
    O1 Li1 O4 Li2 . . . . 66.84(12) ?
    N11 Li1 O4 Li2 . . . . 179.41(11) ?
    Li1 Li1 O4 Li2 3_757 . . . -63.25(18) ?
    C16 N11 C12 C13 . . . . 1.3(2) ?
    Li1 N11 C12 C13 . . . . -170.60(14) ?
    C16 N11 C12 C17 . . . . -179.63(14) ?
    Li1 N11 C12 C17 . . . . 8.50(17) ?
    C12 N11 C16 C15 . . . . -1.4(2) ?
    Li1 N11 C16 C15 . . . . 167.87(16) ?
    N12 C15 C16 N11 . . . . 0.1(3) ?
    C18 C15 C16 N11 . . . . 179.94(16) ?
    N11 C12 C13 N12 . . . . 0.3(2) ?
    C17 C12 C13 N12 . . . . -178.79(14) ?
    Li2 O12 C17 O11 3_757 . . . 19.9(2) ?
    Li2 O12 C17 C12 3_757 . . . -160.09(13) ?
    Li1 O11 C17 O12 3_757 . . . 32.3(3) ?
    Li1 O11 C17 O12 . . . . -173.52(16) ?
    Li1 O11 C17 C12 3_757 . . . -147.73(16) ?
    Li1 O11 C17 C12 . . . . 6.5(2) ?
    Li1 O11 C17 Li2 3_757 . . 3_757 45.70(19) ?
    Li1 O11 C17 Li2 . . . 3_757 -160.08(14) ?
    N11 C12 C17 O12 . . . . 169.59(14) ?
    C13 C12 C17 O12 . . . . -11.3(2) ?
    N11 C12 C17 O11 . . . . -10.4(2) ?
    C13 C12 C17 O11 . . . . 168.67(15) ?
    N11 C12 C17 Li2 . . . 3_757 136.1(2) ?
    C13 C12 C17 Li2 . . . 3_757 -44.8(3) ?
    C16 C15 N12 C13 . . . . 1.5(2) ?
    C18 C15 N12 C13 . . . . -178.41(16) ?
    C12 C13 N12 C15 . . . . -1.7(2) ?
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
    O4 H41 O32 3_657 0.85(2) 1.92(2) 2.7449(15) 165.3(19)
    O4 H42 N12 2_747 0.85(2) 2.03(2) 2.8414(17) 159.0(19)
    O5 H52 N32 2_646 0.84(2) 2.05(2) 2.8550(17) 162(2)
    O5 H51 O31 3_657 0.86(2) 1.85(2) 2.7055(15) 172(2)
data_global
_journal_date_recd_electronic     2011-06-10
_journal_date_accepted     2011-06-22
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue      7
_journal_page_first     m1000
_journal_page_last     m1001
_journal_paper_category     QM
_journal_coeditor_code     KP2334
_publ_contact_author_name     'Janusz Leciejewicz'
_publ_contact_author_address
;
Institute of Nuclear Chemistry and Technology
ul.Dorodna 16
03-195 Warszawa
Poland
;
_publ_contact_author_email
;
j.leciejewicz@ichtj.waw.pl
;
_publ_contact_author_fax
;
48 22 811 1719
;
_publ_contact_author_phone
;
48 22 504 1230
;
_publ_section_title
;\
Poly[di-μ₂-aqua-μ₂-(5-methylpyrazine-2-carboxylato)-(5-methylpyrazine-2-\
carboxylato)-μ₃-nitrato-trilithium]
;
loop_
    _publ_author_name
    _publ_author_address
    'Wojciech Starosta'
;
Institute of Nuclear Chemistry and Technology
ul.Dorodna 16
03-195 Warszawa
Poland
;
    'Janusz Leciejewicz'
;
Institute of Nuclear Chemistry and Technology
ul.Dorodna 16
03-195 Warszawa
Poland
;
