#------------------------------------------------------------------------------
#$Date: 2021-04-26 11:13:44 +0300 (Mon, 26 Apr 2021) $
#$Revision: 264531 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/20/1562090.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1562090
loop_
_publ_author_name
'Lei, Xiao-Ping'
'Lian, Ting-Ting'
'Chen, Shu-Mei'
'Zhang, Jian'
_publ_section_title
;
 Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via
 the assistance of amino acids
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              44
_journal_page_last               52
_journal_paper_doi               10.1016/j.jssc.2014.06.006
_journal_volume                  223
_journal_year                    2015
_chemical_formula_sum            'C27 H24 Cd3 N3 O19'
_chemical_formula_weight         1031.69
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.261(3)
_cell_angle_beta                 92.978(3)
_cell_angle_gamma                93.134(3)
_cell_formula_units_Z            2
_cell_length_a                   11.5178(5)
_cell_length_b                   12.4126(5)
_cell_length_c                   13.1708(5)
_cell_measurement_reflns_used    4358
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1594
_cell_measurement_theta_min      2.3445
_cell_volume                     1871.99(13)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0594
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6597
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.35
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.767
_exptl_absorpt_correction_T_max  0.7188
_exptl_absorpt_correction_T_min  0.7188
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.830
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             1006
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.995
_refine_diff_density_min         -0.507
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         6597
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0361
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0195P)²+4.0364P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0797
_refine_ls_wR_factor_ref         0.0881
_reflns_number_gt                5344
_reflns_number_total             6597
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2015-223-44.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'none' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1562090
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.72349(3) 1.04160(3) -0.52494(3) 0.01879(11) Uani 1 1 d . . .
Cd2 Cd 0.12088(3) 1.46578(3) -0.27340(3) 0.01908(11) Uani 1 1 d . . .
Cd3 Cd 0.47107(4) 1.68328(3) -0.87852(3) 0.02410(12) Uani 1 1 d . . .
C16 C 0.4369(4) 1.4528(4) -0.6600(4) 0.0160(11) Uani 1 1 d . . .
O14 O 0.5733(3) 0.9337(3) -0.6245(3) 0.0264(9) Uani 1 1 d . . .
N1 N 0.8521(4) 1.1777(3) -0.4464(3) 0.0199(10) Uani 1 1 d . . .
O16 O 0.2713(3) 1.5687(3) -0.1761(3) 0.0309(10) Uani 1 1 d . . .
O7 O 0.2128(3) 1.5071(3) -0.4221(3) 0.0303(10) Uani 1 1 d . . .
N2 N 0.9932(4) 1.3255(3) -0.3529(3) 0.0185(10) Uani 1 1 d . . .
O17 O 0.6158(4) 1.7695(3) -0.7703(3) 0.0323(10) Uani 1 1 d . . .
O8 O 0.2817(3) 1.3750(3) -0.3410(3) 0.0259(9) Uani 1 1 d . . .
O9 O 0.6316(3) 1.1734(3) -0.6485(3) 0.0315(10) Uani 1 1 d . . .
C14 C 0.2793(4) 1.4314(4) -0.4164(4) 0.0181(12) Uani 1 1 d . . .
O6 O 0.5217(3) 0.7758(3) -0.0324(3) 0.0348(10) Uani 1 1 d . . .
O10 O 0.5773(3) 1.1535(3) -0.4942(3) 0.0236(9) Uani 1 1 d . . .
O1 O 0.7751(4) 0.9091(3) -0.4301(3) 0.0391(11) Uani 1 1 d . . .
O18 O 0.3278(4) 1.5727(4) -0.9673(3) 0.0444(12) Uani 1 1 d . . .
C11 C 0.4989(4) 1.2974(4) -0.5784(4) 0.0166(12) Uani 1 1 d . . .
O12 O 0.5146(3) 1.5093(3) -0.8136(3) 0.0265(9) Uani 1 1 d . . .
C18 C 0.5027(4) 1.3635(4) -0.6581(4) 0.0182(12) Uani 1 1 d . . .
H18A H 0.5505 1.3476 -0.7113 0.022 Uiso 1 1 calc R . .
C10 C 0.5729(4) 1.2020(4) -0.5750(4) 0.0194(12) Uani 1 1 d . . .
C12 C 0.4270(4) 1.3217(4) -0.4996(4) 0.0164(11) Uani 1 1 d . . .
H12A H 0.4250 1.2783 -0.4451 0.020 Uiso 1 1 calc R . .
O13 O 0.8401(3) 1.0206(3) -0.6597(3) 0.0309(10) Uani 1 1 d . . .
O11 O 0.3893(4) 1.6115(3) -0.7384(3) 0.0315(10) Uani 1 1 d . . .
C13 C 0.3586(4) 1.4088(4) -0.5009(4) 0.0153(11) Uani 1 1 d . . .
C5 C 0.9476(5) 0.6057(4) -0.2370(4) 0.0212(13) Uani 1 1 d . . .
C8 C 0.6080(5) 0.7197(5) -0.0428(4) 0.0229(13) Uani 1 1 d . . .
O5 O 0.6303(3) 0.6482(3) 0.0180(3) 0.0280(9) Uani 1 1 d . . .
O4 O 0.9736(3) 0.5437(3) -0.1683(3) 0.0304(10) Uani 1 1 d . . .
C17 C 0.4469(5) 1.5291(4) -0.7425(4) 0.0206(12) Uani 1 1 d . . .
C7 C 0.6862(4) 0.7361(4) -0.1276(4) 0.0192(12) Uani 1 1 d . . .
C3 C 0.8275(5) 0.7563(4) -0.2921(4) 0.0207(12) Uani 1 1 d . . .
H3A H 0.8729 0.7615 -0.3481 0.025 Uiso 1 1 calc R . .
C15 C 0.3637(4) 1.4749(4) -0.5811(4) 0.0185(12) Uani 1 1 d . . .
H15A H 0.3180 1.5343 -0.5822 0.022 Uiso 1 1 calc R . .
C9 C 0.6675(5) 0.8146(4) -0.1959(4) 0.0222(13) Uani 1 1 d . . .
H9A H 0.6072 0.8607 -0.1867 0.027 Uiso 1 1 calc R . .
C6 C 0.7786(5) 0.6693(4) -0.1426(4) 0.0202(12) Uani 1 1 d . . .
H6A H 0.7925 0.6167 -0.0974 0.024 Uiso 1 1 calc R . .
O3 O 1.0023(4) 0.6072(4) -0.3151(3) 0.0420(12) Uani 1 1 d . . .
O15 O 0.1487(4) 1.3515(3) -0.1380(3) 0.0373(11) Uani 1 1 d . . .
O2 O 0.6411(4) 0.9766(4) -0.3335(4) 0.0588(15) Uani 1 1 d . . .
N3 N 0.8717(5) 0.9805(4) -0.8252(4) 0.0413(14) Uani 1 1 d . . .
O19 O 0.3666(4) 1.8376(4) -0.8528(4) 0.0558(14) Uani 1 1 d . . .
C4 C 0.8495(4) 0.6797(4) -0.2228(4) 0.0185(12) Uani 1 1 d . . .
C1 C 0.7157(5) 0.9099(5) -0.3532(5) 0.0299(15) Uani 1 1 d . . .
C2 C 0.7379(5) 0.8249(4) -0.2777(4) 0.0219(13) Uani 1 1 d . . .
C23 C 0.9688(5) 1.1366(5) -0.4300(6) 0.0432(19) Uani 1 1 d . . .
H23A H 1.0002 1.1170 -0.4953 0.052 Uiso 1 1 calc R . .
H23B H 0.9630 1.0722 -0.3927 0.052 Uiso 1 1 calc R . .
C25 C 0.8059(6) 0.9832(5) -0.7463(5) 0.0329(15) Uani 1 1 d . . .
C19 C 0.8107(5) 1.2119(5) -0.3451(5) 0.0388(17) Uani 1 1 d . . .
H19A H 0.8084 1.1509 -0.3031 0.047 Uiso 1 1 calc R . .
H19B H 0.7324 1.2364 -0.3529 0.047 Uiso 1 1 calc R . .
C20 C 0.8914(6) 1.3027(6) -0.2933(5) 0.048(2) Uani 1 1 d . . .
H20A H 0.8487 1.3677 -0.2841 0.058 Uiso 1 1 calc R . .
H20B H 0.9176 1.2830 -0.2264 0.058 Uiso 1 1 calc R . .
C21 C 0.9510(6) 1.3582(5) -0.4517(5) 0.047(2) Uani 1 1 d . . .
H21A H 1.0163 1.3685 -0.4943 0.056 Uiso 1 1 calc R . .
H21B H 0.9147 1.4266 -0.4421 0.056 Uiso 1 1 calc R . .
C22 C 0.8626(6) 1.2730(5) -0.5055(5) 0.0418(18) Uani 1 1 d . . .
H22A H 0.7873 1.3037 -0.5132 0.050 Uiso 1 1 calc R . .
H22B H 0.8875 1.2517 -0.5729 0.050 Uiso 1 1 calc R . .
C24 C 1.0512(6) 1.2231(5) -0.3697(6) 0.055(2) Uani 1 1 d . . .
H24A H 1.0750 1.1974 -0.3044 0.066 Uiso 1 1 calc R . .
H24B H 1.1204 1.2355 -0.4071 0.066 Uiso 1 1 calc R . .
C26 C 0.9903(7) 1.0225(8) -0.8206(6) 0.082(3) Uani 1 1 d . . .
H26A H 1.0120 1.0532 -0.7527 0.123 Uiso 1 1 calc R . .
H26B H 0.9985 1.0775 -0.8677 0.123 Uiso 1 1 calc R . .
H26C H 1.0399 0.9652 -0.8382 0.123 Uiso 1 1 calc R . .
C27 C 0.8263(9) 0.9280(7) -0.9252(5) 0.081(3) Uani 1 1 d . . .
H27A H 0.7475 0.9006 -0.9200 0.121 Uiso 1 1 calc R . .
H27B H 0.8735 0.8694 -0.9448 0.121 Uiso 1 1 calc R . .
H27C H 0.8286 0.9800 -0.9756 0.121 Uiso 1 1 calc R . .
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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Cd1 O10 125.77(15) . .
O1 Cd1 O13 102.30(16) . .
O10 Cd1 O13 131.68(14) . .
O1 Cd1 N1 97.60(16) . .
O10 Cd1 N1 87.66(14) . .
O13 Cd1 N1 90.90(15) . .
O1 Cd1 O14 94.95(15) . .
O10 Cd1 O14 83.39(13) . .
O13 Cd1 O14 88.36(14) . .
N1 Cd1 O14 167.30(14) . .
O1 Cd1 O9 169.78(15) . .
O10 Cd1 O9 52.47(12) . .
O13 Cd1 O9 79.38(13) . .
N1 Cd1 O9 92.44(14) . .
O14 Cd1 O9 74.96(13) . .
O7 Cd2 O16 88.96(14) . .
O7 Cd2 O3 83.44(13) . 1_465
O16 Cd2 O3 99.02(15) . 1_465
O7 Cd2 N2 95.82(15) . 1_455
O16 Cd2 N2 165.36(14) . 1_455
O3 Cd2 N2 95.27(15) 1_465 1_455
O7 Cd2 O15 137.87(14) . .
O16 Cd2 O15 80.52(14) . .
O3 Cd2 O15 138.36(14) 1_465 .
N2 Cd2 O15 86.71(14) 1_455 .
O7 Cd2 O8 54.78(12) . .
O16 Cd2 O8 82.34(13) . .
O3 Cd2 O8 138.22(14) 1_465 .
N2 Cd2 O8 89.12(14) 1_455 .
O15 Cd2 O8 83.31(14) . .
O7 Cd2 O4 136.78(13) . 1_465
O16 Cd2 O4 91.37(14) . 1_465
O3 Cd2 O4 53.85(13) 1_465 1_465
N2 Cd2 O4 94.53(15) 1_455 1_465
O15 Cd2 O4 84.51(14) . 1_465
O8 Cd2 O4 167.06(12) . 1_465
O7 Cd2 C14 27.29(14) . .
O16 Cd2 C14 86.59(14) . .
O3 Cd2 C14 110.67(15) 1_465 .
N2 Cd2 C14 91.33(15) 1_455 .
O15 Cd2 C14 110.86(15) . .
O8 Cd2 C14 27.56(14) . .
O4 Cd2 C14 163.87(15) 1_465 .
O7 Cd2 C5 109.88(15) . 1_465
O16 Cd2 C5 96.81(14) . 1_465
O3 Cd2 C5 26.54(15) 1_465 1_465
N2 Cd2 C5 94.56(15) 1_455 1_465
O15 Cd2 C5 111.82(16) . 1_465
O8 Cd2 C5 164.58(15) . 1_465
O4 Cd2 C5 27.34(15) 1_465 1_465
C14 Cd2 C5 137.16(17) . 1_465
O17 Cd3 O18 169.76(15) . .
O17 Cd3 O11 88.93(15) . .
O18 Cd3 O11 82.70(16) . .
O17 Cd3 O19 87.29(16) . .
O18 Cd3 O19 98.58(17) . .
O11 Cd3 O19 90.17(16) . .
O17 Cd3 O5 82.45(14) . 1_564
O18 Cd3 O5 99.68(15) . 1_564
O11 Cd3 O5 137.11(13) . 1_564
O19 Cd3 O5 130.93(16) . 1_564
O17 Cd3 O12 90.40(13) . .
O18 Cd3 O12 79.96(14) . .
O11 Cd3 O12 54.77(13) . .
O19 Cd3 O12 144.91(15) . .
O5 Cd3 O12 83.23(13) 1_564 .
O17 Cd3 O6 96.59(14) . 1_564
O18 Cd3 O6 92.66(15) . 1_564
O11 Cd3 O6 168.94(13) . 1_564
O19 Cd3 O6 80.56(15) . 1_564
O5 Cd3 O6 53.50(12) 1_564 1_564
O12 Cd3 O6 134.41(12) . 1_564
O17 Cd3 C17 88.57(15) . .
O18 Cd3 C17 81.29(15) . .
O11 Cd3 C17 27.12(14) . .
O19 Cd3 C17 117.23(17) . .
O5 Cd3 C17 110.35(15) 1_564 .
O12 Cd3 C17 27.69(14) . .
O6 Cd3 C17 161.79(15) 1_564 .
C18 C16 C15 119.1(5) . .
C18 C16 C17 121.2(5) . .
C15 C16 C17 119.6(5) . .
C22 N1 C23 108.5(5) . .
C22 N1 C19 108.4(5) . .
C23 N1 C19 107.5(5) . .
C22 N1 Cd1 112.9(3) . .
C23 N1 Cd1 110.3(3) . .
C19 N1 Cd1 109.0(3) . .
C14 O7 Cd2 92.9(3) . .
C21 N2 C20 107.8(5) . .
C21 N2 C24 108.4(5) . .
C20 N2 C24 107.1(5) . .
C21 N2 Cd2 108.5(3) . 1_655
C20 N2 Cd2 112.6(3) . 1_655
C24 N2 Cd2 112.2(3) . 1_655
C14 O8 Cd2 90.5(3) . .
C10 O9 Cd1 85.1(3) . .
O7 C14 O8 121.4(5) . .
O7 C14 C13 119.0(5) . .
O8 C14 C13 119.6(5) . .
O7 C14 Cd2 59.8(3) . .
O8 C14 Cd2 61.9(3) . .
C13 C14 Cd2 175.4(3) . .
C8 O6 Cd3 90.7(3) . 1_546
C10 O10 Cd1 101.1(3) . .
C1 O1 Cd1 109.2(4) . .
C18 C11 C12 119.0(5) . .
C18 C11 C10 121.0(5) . .
C12 C11 C10 120.0(5) . .
C17 O12 Cd3 88.6(3) . .
C16 C18 C11 121.0(5) . .
C16 C18 H18A 119.5 . .
C11 C18 H18A 119.5 . .
O9 C10 O10 120.9(5) . .
O9 C10 C11 121.2(5) . .
O10 C10 C11 117.9(5) . .
C13 C12 C11 121.1(5) . .
C13 C12 H12A 119.5 . .
C11 C12 H12A 119.5 . .
C25 O13 Cd1 124.6(4) . .
C17 O11 Cd3 94.6(3) . .
C12 C13 C15 119.4(5) . .
C12 C13 C14 120.0(5) . .
C15 C13 C14 120.7(5) . .
O3 C5 O4 121.0(5) . .
O3 C5 C4 119.5(5) . .
O4 C5 C4 119.5(5) . .
O3 C5 Cd2 58.7(3) . 1_645
O4 C5 Cd2 62.4(3) . 1_645
C4 C5 Cd2 176.8(4) . 1_645
O6 C8 O5 120.9(5) . .
O6 C8 C7 120.3(5) . .
O5 C8 C7 118.9(5) . .
C8 O5 Cd3 95.0(3) . 1_546
C5 O4 Cd2 90.3(3) . 1_645
O11 C17 O12 121.9(5) . .
O11 C17 C16 118.8(5) . .
O12 C17 C16 119.3(5) . .
O11 C17 Cd3 58.2(3) . .
O12 C17 Cd3 63.7(3) . .
C16 C17 Cd3 174.5(4) . .
C9 C7 C6 118.2(5) . .
C9 C7 C8 121.6(5) . .
C6 C7 C8 120.1(5) . .
C2 C3 C4 119.9(5) . .
C2 C3 H3A 120.0 . .
C4 C3 H3A 120.0 . .
C13 C15 C16 120.4(5) . .
C13 C15 H15A 119.8 . .
C16 C15 H15A 119.8 . .
C2 C9 C7 120.8(5) . .
C2 C9 H9A 119.6 . .
C7 C9 H9A 119.6 . .
C4 C6 C7 121.4(5) . .
C4 C6 H6A 119.3 . .
C7 C6 H6A 119.3 . .
C5 O3 Cd2 94.7(3) . 1_645
C25 N3 C26 123.7(6) . .
C25 N3 C27 120.5(6) . .
C26 N3 C27 115.8(6) . .
C6 C4 C3 119.7(5) . .
C6 C4 C5 119.9(5) . .
C3 C4 C5 120.3(5) . .
O2 C1 O1 124.4(6) . .
O2 C1 C2 118.1(6) . .
O1 C1 C2 117.5(5) . .
C3 C2 C9 120.0(5) . .
C3 C2 C1 119.6(5) . .
C9 C2 C1 120.5(5) . .
N1 C23 C24 110.5(5) . .
N1 C23 H23A 109.6 . .
C24 C23 H23A 109.6 . .
N1 C23 H23B 109.6 . .
C24 C23 H23B 109.6 . .
H23A C23 H23B 108.1 . .
O13 C25 N3 123.9(6) . .
N1 C19 C20 110.1(5) . .
N1 C19 H19A 109.6 . .
C20 C19 H19A 109.6 . .
N1 C19 H19B 109.6 . .
C20 C19 H19B 109.6 . .
H19A C19 H19B 108.2 . .
N2 C20 C19 111.9(5) . .
N2 C20 H20A 109.2 . .
C19 C20 H20A 109.2 . .
N2 C20 H20B 109.2 . .
C19 C20 H20B 109.2 . .
H20A C20 H20B 107.9 . .
N2 C21 C22 111.4(5) . .
N2 C21 H21A 109.4 . .
C22 C21 H21A 109.4 . .
N2 C21 H21B 109.4 . .
C22 C21 H21B 109.4 . .
H21A C21 H21B 108.0 . .
N1 C22 C21 110.5(5) . .
N1 C22 H22A 109.6 . .
C21 C22 H22A 109.6 . .
N1 C22 H22B 109.6 . .
C21 C22 H22B 109.6 . .
H22A C22 H22B 108.1 . .
N2 C24 C23 110.8(5) . .
N2 C24 H24A 109.5 . .
C23 C24 H24A 109.5 . .
N2 C24 H24B 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 108.1 . .
N3 C26 H26A 109.5 . .
N3 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
N3 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
N3 C27 H27A 109.5 . .
N3 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
N3 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1 2.226(4) .
Cd1 O10 2.274(3) .
Cd1 O13 2.289(4) .
Cd1 N1 2.329(4) .
Cd1 O14 2.398(4) .
Cd1 O9 2.618(4) .
Cd2 O7 2.350(4) .
Cd2 O16 2.358(4) .
Cd2 O3 2.362(4) 1_465
Cd2 N2 2.362(4) 1_455
Cd2 O15 2.379(4) .
Cd2 O8 2.397(4) .
Cd2 O4 2.440(4) 1_465
Cd2 C14 2.717(5) .
Cd2 C5 2.754(5) 1_465
Cd3 O17 2.299(4) .
Cd3 O18 2.300(4) .
Cd3 O11 2.329(4) .
Cd3 O19 2.330(4) .
Cd3 O5 2.381(4) 1_564
Cd3 O12 2.449(4) .
Cd3 O6 2.482(4) 1_564
Cd3 C17 2.730(6) .
C16 C18 1.378(7) .
C16 C15 1.392(7) .
C16 C17 1.499(7) .
N1 C22 1.466(7) .
N1 C23 1.476(7) .
N1 C19 1.481(7) .
O7 C14 1.248(6) .
N2 C21 1.458(7) .
N2 C20 1.472(8) .
N2 C24 1.475(7) .
N2 Cd2 2.362(4) 1_655
O8 C14 1.257(6) .
O9 C10 1.251(6) .
C14 C13 1.496(7) .
O6 C8 1.251(6) .
O6 Cd3 2.482(4) 1_546
O10 C10 1.261(6) .
O1 C1 1.251(7) .
C11 C18 1.381(7) .
C11 C12 1.387(7) .
C11 C10 1.498(7) .
O12 C17 1.269(6) .
C18 H18A 0.9300 .
C12 C13 1.373(7) .
C12 H12A 0.9300 .
O13 C25 1.234(7) .
O11 C17 1.248(6) .
C13 C15 1.386(7) .
C5 O3 1.235(7) .
C5 O4 1.265(7) .
C5 C4 1.506(7) .
C5 Cd2 2.754(5) 1_645
C8 O5 1.267(7) .
C8 C7 1.489(8) .
O5 Cd3 2.381(4) 1_546
O4 Cd2 2.440(4) 1_645
C7 C9 1.392(7) .
C7 C6 1.398(7) .
C3 C2 1.386(7) .
C3 C4 1.390(7) .
C3 H3A 0.9300 .
C15 H15A 0.9300 .
C9 C2 1.391(8) .
C9 H9A 0.9300 .
C6 C4 1.377(7) .
C6 H6A 0.9300 .
O3 Cd2 2.362(4) 1_645
O2 C1 1.248(7) .
N3 C25 1.318(8) .
N3 C26 1.432(9) .
N3 C27 1.482(8) .
C1 C2 1.525(8) .
C23 C24 1.538(8) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C19 C20 1.518(8) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.534(8) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
