##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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 Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
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# are given in the paper "The Crystallographic Information File (CIF):       #
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# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
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#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Bis{tris[2-(2-oxidobenzylideneazaniumyl)ethyl]amine-
κ³O,O',O''}calcium bis(perchlorate) acetonitrile
disolvate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C54 H60 Ca N8 O6 2+ , 2(C2 H3 N), 2(Cl O4 -)'
_chemical_formula_sum     'C58 H66 Ca Cl2 N10 O14'
_chemical_formula_iupac     '[Ca (C27 H30 N4 O3)2] (Cl O4)2 , 2C2 H3 N'
_chemical_formula_weight     1238.19
_chemical_melting_point     ?
_symmetry_cell_setting     orthorhombic
_symmetry_space_group_name_H-M     'P b c a '
_symmetry_space_group_name_Hall     '-P 2ac 2ab'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    '-x, y+1/2, -z+1/2'
    'x+1/2, -y+1/2, -z'
    '-x, -y, -z'
    'x-1/2, y, -z-1/2'
    'x, -y-1/2, z-1/2'
    '-x-1/2, y-1/2, z'
_cell_length_a     11.3469(7)
_cell_length_b     19.5307(12)
_cell_length_c     27.3178(16)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     6054.0(6)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     9950
_cell_measurement_theta_min     2.21
_cell_measurement_theta_max     27.36
_cell_measurement_temperature     150(2)
_exptl_crystal_description     'Block'
_exptl_crystal_colour     'Yellow'
_exptl_crystal_size_max     0.118
_exptl_crystal_size_mid     0.101
_exptl_crystal_size_min     0.092
_exptl_crystal_density_diffrn     1.358
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     2600
_exptl_absorpt_coefficient_mu     0.265
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2008)'
_exptl_absorpt_correction_T_min     0.6624
_exptl_absorpt_correction_T_max     0.7455
_exptl_special_details
;
;
_diffrn_ambient_temperature     150(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     'Bruker APEXII CCD'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     55467
_diffrn_reflns_av_R_equivalents     0.0296
_diffrn_reflns_av_sigmaI/netI     0.0163
_diffrn_reflns_theta_min     1.49
_diffrn_reflns_theta_max     27.45
_diffrn_reflns_theta_full     27.45
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     14
_diffrn_reflns_limit_k_min     -25
_diffrn_reflns_limit_k_max     25
_diffrn_reflns_limit_l_min     -34
_diffrn_reflns_limit_l_max     35
_diffrn_standards_number     0
_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     6915
_reflns_number_gt     5810
_reflns_threshold_expression     'I > 2.0σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0479
_refine_ls_R_factor_gt     0.0390
_refine_ls_wR_factor_gt     0.1030
_refine_ls_wR_factor_ref     0.1096
_refine_ls_goodness_of_fit_ref     1.046
_refine_ls_restrained_S_all     1.046
_refine_ls_number_reflns     6915
_refine_ls_number_parameters     398
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0538P)²+3.4246P] 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     0.002
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.601
_refine_diff_density_min     -0.390
_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'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ca' 'Ca' 0.2262 0.3064
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2008)'
_computing_cell_refinement     'SAINT (Bruker, 2008)'
_computing_data_reduction     'SAINT (Bruker, 2008)'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL-97 (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_disorder_assembly
    _atom_site_disorder_group
    Ca Ca1 0.5000 0.0000 0.5000 0.01901(10) Uani d S 1 . .
    O O1 0.38283(10) 0.08611(5) 0.53706(4) 0.0260(2) Uani d . 1 . .
    C C1 0.32707(13) 0.13534(8) 0.51499(5) 0.0224(3) Uani d . 1 . .
    C C2 0.25547(15) 0.12409(8) 0.47327(6) 0.0291(3) Uani d . 1 . .
    H H2 0.2438 0.0786 0.4619 0.035 Uiso calc R 1 . .
    C C3 0.20240(16) 0.17746(10) 0.44891(7) 0.0349(4) Uani d . 1 . .
    H H3 0.1557 0.1680 0.4208 0.042 Uiso calc R 1 . .
    C C4 0.21547(17) 0.24547(9) 0.46452(7) 0.0395(4) Uani d . 1 . .
    H H4 0.1795 0.2818 0.4469 0.047 Uiso calc R 1 . .
    C C5 0.28043(16) 0.25839(9) 0.50526(7) 0.0340(4) Uani d . 1 . .
    H H5 0.2879 0.3042 0.5166 0.041 Uiso calc R 1 . .
    C C6 0.33725(13) 0.20497(8) 0.53117(6) 0.0239(3) Uani d . 1 . .
    C C7 0.40674(14) 0.22286(8) 0.57213(5) 0.0247(3) Uani d . 1 . .
    H H7 0.4066 0.2695 0.5821 0.030 Uiso calc R 1 . .
    N N1 0.47075(12) 0.18036(7) 0.59710(5) 0.0243(3) Uani d . 1 . .
    C C8 0.53399(15) 0.19940(8) 0.64171(6) 0.0277(3) Uani d . 1 . .
    H H8A 0.5444 0.2497 0.6429 0.033 Uiso calc R 1 . .
    H H8B 0.6130 0.1779 0.6418 0.033 Uiso calc R 1 . .
    C C9 0.46415(15) 0.17550(8) 0.68610(6) 0.0264(3) Uani d . 1 . .
    H H9A 0.5005 0.1939 0.7163 0.032 Uiso calc R 1 . .
    H H9B 0.3825 0.1931 0.6840 0.032 Uiso calc R 1 . .
    N N2 0.46228(11) 0.10039(6) 0.68827(5) 0.0228(3) Uani d . 1 . .
    C C10 0.56302(15) 0.07362(9) 0.71617(6) 0.0290(3) Uani d . 1 . .
    H H10A 0.5388 0.0659 0.7505 0.035 Uiso calc R 1 . .
    H H10B 0.6271 0.1080 0.7162 0.035 Uiso calc R 1 . .
    C C11 0.60888(15) 0.00683(9) 0.69464(6) 0.0307(4) Uani d . 1 . .
    H H11A 0.6682 -0.0133 0.7170 0.037 Uiso calc R 1 . .
    H H11B 0.5431 -0.0261 0.6913 0.037 Uiso calc R 1 . .
    N N3 0.66223(12) 0.01909(7) 0.64666(5) 0.0283(3) Uani d . 1 . .
    C C12 0.77320(14) 0.03357(9) 0.64084(6) 0.0303(3) Uani d . 1 . .
    H H12 0.8224 0.0329 0.6690 0.036 Uiso calc R 1 . .
    C C13 0.82570(14) 0.05027(8) 0.59528(6) 0.0282(3) Uani d . 1 . .
    C C14 0.94893(15) 0.06200(9) 0.59374(7) 0.0362(4) Uani d . 1 . .
    H H14 0.9933 0.0605 0.6232 0.043 Uiso calc R 1 . .
    C C15 1.00481(16) 0.07539(9) 0.55058(8) 0.0385(4) Uani d . 1 . .
    H H15 1.0872 0.0841 0.5499 0.046 Uiso calc R 1 . .
    C C16 0.93896(16) 0.07617(9) 0.50724(7) 0.0353(4) Uani d . 1 . .
    H H16 0.9780 0.0844 0.4770 0.042 Uiso calc R 1 . .
    C C17 0.81902(16) 0.06529(8) 0.50726(6) 0.0313(4) Uani d . 1 . .
    H H17 0.7772 0.0660 0.4771 0.038 Uiso calc R 1 . .
    C C18 0.75700(14) 0.05306(7) 0.55146(6) 0.0253(3) Uani d . 1 . .
    O O2 0.64376(10) 0.04299(6) 0.55239(4) 0.0287(2) Uani d . 1 . .
    C C19 0.34878(15) 0.07321(8) 0.70527(6) 0.0280(3) Uani d . 1 . .
    H H19A 0.3107 0.1072 0.7270 0.034 Uiso calc R 1 . .
    H H19B 0.3626 0.0311 0.7246 0.034 Uiso calc R 1 . .
    C C20 0.26672(14) 0.05700(8) 0.66278(6) 0.0287(3) Uani d . 1 . .
    H H20A 0.1863 0.0484 0.6754 0.034 Uiso calc R 1 . .
    H H20B 0.2630 0.0968 0.6404 0.034 Uiso calc R 1 . .
    N N4 0.30786(12) -0.00316(6) 0.63575(5) 0.0241(3) Uani d . 1 . .
    C C21 0.29327(13) -0.06510(8) 0.65229(6) 0.0252(3) Uani d . 1 . .
    H H21 0.2469 -0.0706 0.6810 0.030 Uiso calc R 1 . .
    C C22 0.34110(13) -0.12487(8) 0.63089(6) 0.0233(3) Uani d . 1 . .
    C C23 0.31923(15) -0.18869(8) 0.65401(6) 0.0308(4) Uani d . 1 . .
    H H23 0.2708 -0.1903 0.6824 0.037 Uiso calc R 1 . .
    C C24 0.36664(16) -0.24768(9) 0.63612(7) 0.0361(4) Uani d . 1 . .
    H H24 0.3526 -0.2901 0.6521 0.043 Uiso calc R 1 . .
    C C25 0.43665(16) -0.24480(9) 0.59373(7) 0.0376(4) Uani d . 1 . .
    H H25 0.4690 -0.2859 0.5809 0.045 Uiso calc R 1 . .
    C C26 0.45932(16) -0.18409(9) 0.57042(7) 0.0341(4) Uani d . 1 . .
    H H26 0.5066 -0.1842 0.5417 0.041 Uiso calc R 1 . .
    C C27 0.41389(13) -0.12088(8) 0.58811(5) 0.0231(3) Uani d . 1 . .
    O O3 0.43711(10) -0.06298(6) 0.56747(4) 0.0285(3) Uani d . 1 . .
    C C28 0.8355(2) 0.24381(14) 0.68889(8) 0.0537(6) Uani d . 1 . .
    C C29 0.85639(19) 0.31612(11) 0.68130(9) 0.0505(5) Uani d . 1 . .
    H H29A 0.9341 0.3283 0.6943 0.076 Uiso calc R 1 . .
    H H29B 0.7955 0.3427 0.6982 0.076 Uiso calc R 1 . .
    H H29C 0.8538 0.3263 0.6462 0.076 Uiso calc R 1 . .
    N N5 0.8201(3) 0.18674(14) 0.69423(9) 0.0870(9) Uani d . 1 . .
    H H4A 0.3474(18) -0.0002(10) 0.6103(8) 0.034(5) Uiso d . 1 . .
    H H3A 0.6222(19) 0.0209(11) 0.6199(8) 0.040(6) Uiso d . 1 . .
    H H1A 0.4716(19) 0.1395(12) 0.5863(8) 0.046(6) Uiso d . 1 . .
    Cl Cl1 0.96706(4) 0.89879(2) 0.698669(15) 0.03209(11) Uani d . 1 . .
    O O4 1.04850(18) 0.84563(10) 0.70855(9) 0.0828(6) Uani d . 1 . .
    O O5 1.02963(14) 0.96257(8) 0.69527(6) 0.0547(4) Uani d . 1 . .
    O O6 0.88221(16) 0.90508(10) 0.73665(7) 0.0743(6) Uani d . 1 . .
    O O7 0.90949(18) 0.88552(10) 0.65378(6) 0.0699(5) Uani d . 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
    Ca1 O2 5_656 2.3269(11) ?
    Ca1 O2 . 2.3269(11) ?
    Ca1 O3 5_656 2.3279(11) ?
    Ca1 O3 . 2.3279(11) ?
    Ca1 O1 5_656 2.3709(10) ?
    Ca1 O1 . 2.3709(10) ?
    O1 C1 . 1.2993(18) ?
    C1 C2 . 1.417(2) ?
    C1 C6 . 1.435(2) ?
    C2 C3 . 1.375(2) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.403(3) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.358(3) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.416(2) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.413(2) ?
    C7 N1 . 1.297(2) ?
    C7 H7 . 0.9500 ?
    N1 C8 . 1.462(2) ?
    N1 H1A . 0.85(2) ?
    C8 C9 . 1.522(2) ?
    C8 H8A . 0.9900 ?
    C8 H8B . 0.9900 ?
    C9 N2 . 1.4684(19) ?
    C9 H9A . 0.9900 ?
    C9 H9B . 0.9900 ?
    N2 C19 . 1.468(2) ?
    N2 C10 . 1.470(2) ?
    C10 C11 . 1.523(2) ?
    C10 H10A . 0.9900 ?
    C10 H10B . 0.9900 ?
    C11 N3 . 1.463(2) ?
    C11 H11A . 0.9900 ?
    C11 H11B . 0.9900 ?
    N3 C12 . 1.300(2) ?
    N3 H3A . 0.86(2) ?
    C12 C13 . 1.418(2) ?
    C12 H12 . 0.9500 ?
    C13 C14 . 1.418(2) ?
    C13 C18 . 1.430(2) ?
    C14 C15 . 1.364(3) ?
    C14 H14 . 0.9500 ?
    C15 C16 . 1.400(3) ?
    C15 H15 . 0.9500 ?
    C16 C17 . 1.377(3) ?
    C16 H16 . 0.9500 ?
    C17 C18 . 1.418(2) ?
    C17 H17 . 0.9500 ?
    C18 O2 . 1.3001(19) ?
    C19 C20 . 1.522(2) ?
    C19 H19A . 0.9900 ?
    C19 H19B . 0.9900 ?
    C20 N4 . 1.4642(19) ?
    C20 H20A . 0.9900 ?
    C20 H20B . 0.9900 ?
    N4 C21 . 1.302(2) ?
    N4 H4A . 0.83(2) ?
    C21 C22 . 1.414(2) ?
    C21 H21 . 0.9500 ?
    C22 C23 . 1.419(2) ?
    C22 C27 . 1.433(2) ?
    C23 C24 . 1.362(2) ?
    C23 H23 . 0.9500 ?
    C24 C25 . 1.405(3) ?
    C24 H24 . 0.9500 ?
    C25 C26 . 1.370(2) ?
    C25 H25 . 0.9500 ?
    C26 C27 . 1.422(2) ?
    C26 H26 . 0.9500 ?
    C27 O3 . 1.2908(18) ?
    C28 N5 . 1.138(3) ?
    C28 C29 . 1.447(3) ?
    C29 H29A . 0.9800 ?
    C29 H29B . 0.9800 ?
    C29 H29C . 0.9800 ?
    Cl1 O7 . 1.4135(16) ?
    Cl1 O4 . 1.4158(18) ?
    Cl1 O6 . 1.4209(16) ?
    Cl1 O5 . 1.4368(15) ?
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
    O2 Ca1 O2 5_656 . 180.00(4) ?
    O2 Ca1 O3 5_656 5_656 85.33(4) ?
    O2 Ca1 O3 . 5_656 94.67(4) ?
    O2 Ca1 O3 5_656 . 94.67(4) ?
    O2 Ca1 O3 . . 85.33(4) ?
    O3 Ca1 O3 5_656 . 180.0 ?
    O2 Ca1 O1 5_656 5_656 82.79(4) ?
    O2 Ca1 O1 . 5_656 97.21(4) ?
    O3 Ca1 O1 5_656 5_656 82.23(4) ?
    O3 Ca1 O1 . 5_656 97.77(4) ?
    O2 Ca1 O1 5_656 . 97.21(4) ?
    O2 Ca1 O1 . . 82.79(4) ?
    O3 Ca1 O1 5_656 . 97.77(4) ?
    O3 Ca1 O1 . . 82.23(4) ?
    O1 Ca1 O1 5_656 . 180.00(5) ?
    C1 O1 Ca1 . . 126.86(9) ?
    O1 C1 C2 . . 122.54(14) ?
    O1 C1 C6 . . 121.28(14) ?
    C2 C1 C6 . . 116.17(13) ?
    C3 C2 C1 . . 121.52(15) ?
    C3 C2 H2 . . 119.2 ?
    C1 C2 H2 . . 119.2 ?
    C2 C3 C4 . . 121.61(16) ?
    C2 C3 H3 . . 119.2 ?
    C4 C3 H3 . . 119.2 ?
    C5 C4 C3 . . 118.83(16) ?
    C5 C4 H4 . . 120.6 ?
    C3 C4 H4 . . 120.6 ?
    C4 C5 C6 . . 121.31(16) ?
    C4 C5 H5 . . 119.3 ?
    C6 C5 H5 . . 119.3 ?
    C7 C6 C5 . . 117.89(14) ?
    C7 C6 C1 . . 121.57(14) ?
    C5 C6 C1 . . 120.51(14) ?
    N1 C7 C6 . . 124.81(14) ?
    N1 C7 H7 . . 117.6 ?
    C6 C7 H7 . . 117.6 ?
    C7 N1 C8 . . 123.40(14) ?
    C7 N1 H1A . . 115.1(15) ?
    C8 N1 H1A . . 121.5(15) ?
    N1 C8 C9 . . 109.29(13) ?
    N1 C8 H8A . . 109.8 ?
    C9 C8 H8A . . 109.8 ?
    N1 C8 H8B . . 109.8 ?
    C9 C8 H8B . . 109.8 ?
    H8A C8 H8B . . 108.3 ?
    N2 C9 C8 . . 110.25(13) ?
    N2 C9 H9A . . 109.6 ?
    C8 C9 H9A . . 109.6 ?
    N2 C9 H9B . . 109.6 ?
    C8 C9 H9B . . 109.6 ?
    H9A C9 H9B . . 108.1 ?
    C19 N2 C9 . . 112.74(12) ?
    C19 N2 C10 . . 112.92(12) ?
    C9 N2 C10 . . 111.41(12) ?
    N2 C10 C11 . . 111.72(13) ?
    N2 C10 H10A . . 109.3 ?
    C11 C10 H10A . . 109.3 ?
    N2 C10 H10B . . 109.3 ?
    C11 C10 H10B . . 109.3 ?
    H10A C10 H10B . . 107.9 ?
    N3 C11 C10 . . 110.31(13) ?
    N3 C11 H11A . . 109.6 ?
    C10 C11 H11A . . 109.6 ?
    N3 C11 H11B . . 109.6 ?
    C10 C11 H11B . . 109.6 ?
    H11A C11 H11B . . 108.1 ?
    C12 N3 C11 . . 123.08(15) ?
    C12 N3 H3A . . 113.4(14) ?
    C11 N3 H3A . . 123.3(14) ?
    N3 C12 C13 . . 124.35(15) ?
    N3 C12 H12 . . 117.8 ?
    C13 C12 H12 . . 117.8 ?
    C14 C13 C12 . . 118.54(16) ?
    C14 C13 C18 . . 120.45(16) ?
    C12 C13 C18 . . 120.98(14) ?
    C15 C14 C13 . . 121.02(17) ?
    C15 C14 H14 . . 119.5 ?
    C13 C14 H14 . . 119.5 ?
    C14 C15 C16 . . 119.01(16) ?
    C14 C15 H15 . . 120.5 ?
    C16 C15 H15 . . 120.5 ?
    C17 C16 C15 . . 121.68(17) ?
    C17 C16 H16 . . 119.2 ?
    C15 C16 H16 . . 119.2 ?
    C16 C17 C18 . . 121.11(17) ?
    C16 C17 H17 . . 119.4 ?
    C18 C17 H17 . . 119.4 ?
    O2 C18 C17 . . 122.19(15) ?
    O2 C18 C13 . . 121.11(14) ?
    C17 C18 C13 . . 116.68(15) ?
    C18 O2 Ca1 . . 137.34(10) ?
    N2 C19 C20 . . 111.75(13) ?
    N2 C19 H19A . . 109.3 ?
    C20 C19 H19A . . 109.3 ?
    N2 C19 H19B . . 109.3 ?
    C20 C19 H19B . . 109.3 ?
    H19A C19 H19B . . 107.9 ?
    N4 C20 C19 . . 110.89(13) ?
    N4 C20 H20A . . 109.5 ?
    C19 C20 H20A . . 109.5 ?
    N4 C20 H20B . . 109.5 ?
    C19 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 108.0 ?
    C21 N4 C20 . . 122.02(14) ?
    C21 N4 H4A . . 115.1(13) ?
    C20 N4 H4A . . 122.6(14) ?
    N4 C21 C22 . . 125.08(14) ?
    N4 C21 H21 . . 117.5 ?
    C22 C21 H21 . . 117.5 ?
    C21 C22 C23 . . 118.28(14) ?
    C21 C22 C27 . . 120.90(14) ?
    C23 C22 C27 . . 120.76(14) ?
    C24 C23 C22 . . 120.93(15) ?
    C24 C23 H23 . . 119.5 ?
    C22 C23 H23 . . 119.5 ?
    C23 C24 C25 . . 119.02(16) ?
    C23 C24 H24 . . 120.5 ?
    C25 C24 H24 . . 120.5 ?
    C26 C25 C24 . . 121.57(16) ?
    C26 C25 H25 . . 119.2 ?
    C24 C25 H25 . . 119.2 ?
    C25 C26 C27 . . 121.68(16) ?
    C25 C26 H26 . . 119.2 ?
    C27 C26 H26 . . 119.2 ?
    O3 C27 C26 . . 122.55(14) ?
    O3 C27 C22 . . 121.43(14) ?
    C26 C27 C22 . . 116.02(14) ?
    C27 O3 Ca1 . . 150.62(10) ?
    N5 C28 C29 . . 178.9(3) ?
    C28 C29 H29A . . 109.5 ?
    C28 C29 H29B . . 109.5 ?
    H29A C29 H29B . . 109.5 ?
    C28 C29 H29C . . 109.5 ?
    H29A C29 H29C . . 109.5 ?
    H29B C29 H29C . . 109.5 ?
    O7 Cl1 O4 . . 109.43(13) ?
    O7 Cl1 O6 . . 109.65(12) ?
    O4 Cl1 O6 . . 111.50(14) ?
    O7 Cl1 O5 . . 109.34(11) ?
    O4 Cl1 O5 . . 109.00(12) ?
    O6 Cl1 O5 . . 107.88(10) ?
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
    N1 H1A O1 . 0.85(2) 1.98(2) 2.6597(17) 136(2)
    N3 H3A O2 . 0.86(2) 1.91(2) 2.6256(18) 140(2)
    N4 H4A O3 . 0.83(2) 1.98(2) 2.6449(17) 137(2)
    C3 H3 O7 5_666 0.95 2.41 3.316(2) 160
    C20 H20A O5 1_445 0.99 2.50 3.380(2) 148
    C10 H10A O5 6_547 0.99 2.50 3.271(2) 134
    C21 H21 O5 1_445 0.95 2.58 3.259(2) 129
    C29 H29B O6 8_755 0.98 2.58 3.555(3) 173
    C26 H26 Cg1 5_656 0.95 2.68 3.489(2) 143
data_global
_journal_date_recd_electronic     2010-12-13
_journal_date_accepted     2010-12-23
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue      2
_journal_page_first     m149
_journal_page_last     m149
_journal_paper_category     QM
_journal_coeditor_code     PV2371
_publ_contact_author_name     'Muhammet Kose'
_publ_contact_author_address
;
Chemistry Department, Loughborough University, Leicestershire, LE11 3TU
;
_publ_contact_author_email     'm.kose@lboro.ac.uk'
_publ_contact_author_fax     '01509 223925'
_publ_contact_author_phone     '01509 564113'
_publ_section_title
;\
Bis{tris[2-(2-oxidobenzylideneazaniumyl)ethyl]amine-
κ³O,O',O''}calcium bis(perchlorate) acetonitrile
disolvate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Kose, Muhammet' .
;
Chemistry Department, Loughborough University, Leicestershire, LE11 3TU,
England
;
    'McKee, Vickie' .
;
Chemistry Department, Loughborough University, Leicestershire, LE11 3TU,
England
;
_publ_section_synopsis     .
