#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/44/7214476.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_7214476
loop_
_publ_author_name
'Yang, Wei'
'Wang, Chiming'
'Ma, Qi'
'Liu, Chenxi'
'Wang, Hailong'
'Jiang, Jianzhuang'
_publ_section_title
;
 Synthesis, crystal structures, and luminescence properties of seven
 tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by
 tricarboxylates
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              4554
_journal_paper_doi               10.1039/c4ce00212a
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C30 H25 Cd1.5 N6 O10'
_chemical_formula_weight         798.16
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.263(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.4177(12)
_cell_length_b                   8.2315(3)
_cell_length_c                   13.7691(7)
_cell_measurement_reflns_used    2559
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.43
_cell_measurement_theta_min      2.94
_cell_volume                     3098.9(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2141
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_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  0.0395
_diffrn_reflns_av_sigmaI/netI    0.0712
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10048
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.95
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.107
_exptl_absorpt_correction_T_max  0.895
_exptl_absorpt_correction_T_min  0.838
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1596
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.392
_refine_diff_density_min         -0.540
_refine_diff_density_rms         0.105
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         5169
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0464
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0530P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1043
_reflns_number_gt                4455
_reflns_number_total             5169
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00212a3.cif
_cod_data_source_block           7
_cod_depositor_comments
'Adding full bibliography for 7214470--7214476.cif.'
_cod_original_sg_symbol_Hall     'C 2y '
_cod_original_sg_symbol_H-M      'C 2'
_cod_original_formula_sum        'C30 H25 Cd1.50 N6 O10'
_cod_database_code               7214476
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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
C1 C 0.7204(3) 1.2956(9) -0.7034(7) 0.034(2) Uani 1 1 d .
C2 C 0.7917(3) 1.0407(9) -0.6378(5) 0.0238(18) Uani 1 1 d .
C3 C 0.7377(3) 1.1717(9) -0.7747(5) 0.0279(16) Uani 1 1 d .
C4 C 0.7706(3) 1.0518(9) -0.7405(5) 0.0237(16) Uani 1 1 d .
C5 C 0.7823(3) 0.9276(8) -0.8033(5) 0.0259(19) Uani 1 1 d .
C6 C 0.7637(3) 0.9280(10) -0.9009(6) 0.041(2) Uani 1 1 d .
H6 H 0.7722 0.8462 -0.9430 0.049 Uiso 1 1 calc R
C7 C 0.7327(4) 1.0504(11) -0.9337(6) 0.043(2) Uani 1 1 d .
H7 H 0.7206 1.0521 -0.9986 0.051 Uiso 1 1 calc R
C8 C 0.7193(3) 1.1704(11) -0.8717(6) 0.039(2) Uani 1 1 d .
H8 H 0.6977 1.2513 -0.8946 0.047 Uiso 1 1 calc R
C9 C 0.8333(3) 0.6937(9) -0.8149(5) 0.0263(18) Uani 1 1 d .
C10 C 0.8639(3) 0.7398(11) -0.8864(6) 0.040(2) Uani 1 1 d .
H10 H 0.8659 0.8477 -0.9058 0.048 Uiso 1 1 calc R
C11 C 0.8917(3) 0.6177(10) -0.9286(7) 0.040(2) Uani 1 1 d .
H11 H 0.9127 0.6461 -0.9759 0.048 Uiso 1 1 calc R
C12 C 0.8883(3) 0.4551(11) -0.9007(5) 0.0332(17) Uani 1 1 d .
C13 C 0.8562(3) 0.4123(9) -0.8307(6) 0.035(2) Uani 1 1 d .
H13 H 0.8535 0.3041 -0.8124 0.042 Uiso 1 1 calc R
C14 C 0.8281(3) 0.5293(9) -0.7883(6) 0.035(2) Uani 1 1 d .
H14 H 0.8062 0.4998 -0.7430 0.042 Uiso 1 1 calc R
C15 C 0.9221(3) 0.3342(11) -0.9418(7) 0.037(2) Uani 1 1 d .
C16 C 0.6078(3) 1.2376(9) -0.4381(5) 0.0270(18) Uani 1 1 d .
H16 H 0.5907 1.3311 -0.4236 0.032 Uiso 1 1 calc R
C17 C 0.6594(3) 1.0742(9) -0.4956(6) 0.0328(19) Uani 1 1 d .
H17 H 0.6851 1.0352 -0.5295 0.039 Uiso 1 1 calc R
C18 C 0.6292(3) 0.9817(11) -0.4455(6) 0.0347(18) Uani 1 1 d .
H18 H 0.6307 0.8697 -0.4372 0.042 Uiso 1 1 calc R
C19 C 0.5535(3) 1.0502(9) -0.3584(6) 0.0247(18) Uani 1 1 d .
C20 C 0.5293(3) 0.9038(9) -0.3779(6) 0.0279(19) Uani 1 1 d .
H20 H 0.5415 0.8266 -0.4190 0.034 Uiso 1 1 calc R
C21 C 0.4859(3) 0.8775(9) -0.3331(6) 0.0252(17) Uani 1 1 d .
C22 C 0.4676(3) 0.9895(10) -0.2714(6) 0.0320(18) Uani 1 1 d .
H22 H 0.4392 0.9677 -0.2407 0.038 Uiso 1 1 calc R
C23 C 0.4919(3) 1.1345(9) -0.2555(6) 0.0277(18) Uani 1 1 d .
C24 C 0.5355(3) 1.1664(9) -0.2988(5) 0.0270(16) Uani 1 1 d .
H24 H 0.5520 1.2642 -0.2874 0.032 Uiso 1 1 calc R
C25 C 0.4991(3) 1.3752(10) -0.1466(6) 0.035(2) Uani 1 1 d .
H25 H 0.5330 1.3841 -0.1433 0.043 Uiso 1 1 calc R
C26 C 0.4246(3) 1.4233(10) -0.1290(7) 0.045(2) Uani 1 1 d .
H26 H 0.3964 1.4753 -0.1115 0.054 Uiso 1 1 calc R
C27 C 0.4247(3) 1.2862(12) -0.1809(7) 0.044(2) Uani 1 1 d .
H27 H 0.3977 1.2245 -0.2028 0.053 Uiso 1 1 calc R
C28 C 0.4106(3) 0.7112(9) -0.3710(6) 0.0304(19) Uani 1 1 d .
H28 H 0.3882 0.7951 -0.3661 0.036 Uiso 1 1 calc R
C29 C 0.4800(3) 0.5784(9) -0.3683(6) 0.036(2) Uani 1 1 d .
H29 H 0.5129 0.5506 -0.3627 0.043 Uiso 1 1 calc R
C30 C 0.4416(3) 0.4803(11) -0.3923(5) 0.0352(17) Uani 1 1 d .
H30 H 0.4442 0.3699 -0.4054 0.042 Uiso 1 1 calc R
O1 O 0.7413(3) 1.3166(8) -0.6245(5) 0.051(2) Uani 1 1 d .
O2 O 0.6814(3) 1.3646(10) -0.7272(6) 0.075(2) Uani 1 1 d U
O3 O 0.76687(16) 0.9715(8) -0.5768(3) 0.0301(10) Uani 1 1 d .
O4 O 0.8337(2) 1.0941(7) -0.6145(4) 0.0371(14) Uani 1 1 d .
O5 O 0.8098(2) 0.8039(6) -0.7606(4) 0.0374(15) Uani 1 1 d .
O6 O 0.9320(3) 0.2061(8) -0.8959(5) 0.065(2) Uani 1 1 d .
O7 O 0.9419(3) 0.3663(8) -1.0157(5) 0.062(2) Uani 1 1 d .
O8 O 0.9131(2) 1.0380(7) -0.7261(5) 0.0537(17) Uani 1 1 d D
H8A H 0.8845 1.0395 -0.7068 0.080 Uiso 1 1 d RD
H8B H 0.9153 1.0941 -0.7771 0.080 Uiso 1 1 d RD
O9 O 0.7049(3) 1.7128(8) -0.6177(7) 0.083(3) Uani 1 1 d D
H9A H 0.6902 1.7616 -0.6661 0.124 Uiso 1 1 d RD
H9B H 0.7360 1.7169 -0.6214 0.124 Uiso 1 1 d RD
O10 O 0.3619(5) 0.8944(17) -0.1764(11) 0.188(7) Uani 1 1 d D
H10A H 0.3652 0.8159 -0.1332 0.282 Uiso 1 1 d RD
H10B H 0.3455 0.9711 -0.1521 0.282 Uiso 1 1 d RD
Cd1 Cd 0.679360(17) 1.46739(5) -0.55856(3) 0.02291(14) Uani 1 1 d .
Cd2 Cd 0.5000 1.66793(9) 0.0000 0.0320(2) Uani 1 2 d S
N1 N 0.6461(2) 1.2371(8) -0.4887(5) 0.0295(15) Uani 1 1 d .
N2 N 0.5954(2) 1.0861(7) -0.4089(4) 0.0254(14) Uani 1 1 d .
N3 N 0.4734(2) 1.2543(8) -0.1953(5) 0.0314(16) Uani 1 1 d .
N4 N 0.4704(2) 1.4768(9) -0.1053(4) 0.0369(15) Uani 1 1 d .
N5 N 0.4596(2) 0.7296(8) -0.3537(5) 0.0307(17) Uani 1 1 d .
N6 N 0.3983(2) 0.5633(7) -0.3951(5) 0.0282(15) Uani 1 1 d .
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'
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'
N N 0.0061 0.0033 '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 C1 O2 121.3(8) . .
O1 C1 C3 122.1(7) . .
O2 C1 C3 116.4(8) . .
O1 C1 Cd1 57.6(4) . .
O2 C1 Cd1 64.1(5) . .
C3 C1 Cd1 168.3(5) . .
O4 C2 O3 121.4(7) . .
O4 C2 C4 120.5(7) . .
O3 C2 C4 118.1(7) . .
C8 C3 C4 119.8(7) . .
C8 C3 C1 121.2(7) . .
C4 C3 C1 118.9(7) . .
C5 C4 C3 118.9(7) . .
C5 C4 C2 116.9(7) . .
C3 C4 C2 124.0(6) . .
O5 C5 C4 115.1(7) . .
O5 C5 C6 124.2(6) . .
C4 C5 C6 120.6(7) . .
C7 C6 C5 119.3(7) . .
C7 C6 H6 120.3 . .
C5 C6 H6 120.3 . .
C6 C7 C8 120.7(8) . .
C6 C7 H7 119.6 . .
C8 C7 H7 119.6 . .
C7 C8 C3 120.4(8) . .
C7 C8 H8 119.8 . .
C3 C8 H8 119.8 . .
O5 C9 C10 122.6(7) . .
O5 C9 C14 115.6(7) . .
C10 C9 C14 121.6(7) . .
C9 C10 C11 117.9(8) . .
C9 C10 H10 121.1 . .
C11 C10 H10 121.1 . .
C12 C11 C10 121.4(8) . .
C12 C11 H11 119.3 . .
C10 C11 H11 119.3 . .
C11 C12 C13 119.2(7) . .
C11 C12 C15 118.5(7) . .
C13 C12 C15 122.2(8) . .
C14 C13 C12 120.9(7) . .
C14 C13 H13 119.6 . .
C12 C13 H13 119.6 . .
C13 C14 C9 119.0(7) . .
C13 C14 H14 120.5 . .
C9 C14 H14 120.5 . .
O7 C15 O6 120.9(8) . .
O7 C15 C12 119.9(8) . .
O6 C15 C12 119.1(8) . .
O7 C15 Cd2 56.8(5) . 3_534
O6 C15 Cd2 65.0(5) . 3_534
C12 C15 Cd2 166.0(6) . 3_534
N1 C16 N2 112.5(6) . .
N1 C16 H16 123.7 . .
N2 C16 H16 123.7 . .
C18 C17 N1 109.5(7) . .
C18 C17 H17 125.3 . .
N1 C17 H17 125.3 . .
C17 C18 N2 106.7(7) . .
C17 C18 H18 126.6 . .
N2 C18 H18 126.6 . .
C24 C19 C20 121.9(7) . .
C24 C19 N2 119.2(7) . .
C20 C19 N2 118.6(7) . .
C19 C20 C21 117.3(7) . .
C19 C20 H20 121.3 . .
C21 C20 H20 121.3 . .
C22 C21 C20 122.1(7) . .
C22 C21 N5 119.4(7) . .
C20 C21 N5 118.5(7) . .
C21 C22 C23 119.0(7) . .
C21 C22 H22 120.5 . .
C23 C22 H22 120.5 . .
C22 C23 C24 121.0(7) . .
C22 C23 N3 120.6(7) . .
C24 C23 N3 118.4(7) . .
C19 C24 C23 118.6(7) . .
C19 C24 H24 120.7 . .
C23 C24 H24 120.7 . .
N4 C25 N3 112.0(7) . .
N4 C25 H25 124.0 . .
N3 C25 H25 124.0 . .
C27 C26 N4 111.4(8) . .
C27 C26 H26 124.3 . .
N4 C26 H26 124.3 . .
C26 C27 N3 106.1(8) . .
C26 C27 H27 126.9 . .
N3 C27 H27 126.9 . .
N6 C28 N5 112.6(7) . .
N6 C28 H28 123.7 . .
N5 C28 H28 123.7 . .
C30 C29 N5 105.0(7) . .
C30 C29 H29 127.5 . .
N5 C29 H29 127.5 . .
C29 C30 N6 111.5(8) . .
C29 C30 H30 124.2 . .
N6 C30 H30 124.2 . .
C1 O1 Cd1 96.7(5) . .
C1 O2 Cd1 89.3(6) . .
C2 O3 Cd1 101.7(5) . 4_644
C2 O4 Cd1 84.8(4) . 4_644
C9 O5 C5 121.6(6) . .
C15 O6 Cd2 87.6(5) . 3_534
C15 O7 Cd2 96.7(6) . 3_534
H8A O8 H8B 112.2 . .
Cd1 O9 H9A 123.4 . .
Cd1 O9 H9B 112.7 . .
H9A O9 H9B 110.4 . .
H10A O10 H10B 107.9 . .
O3 Cd1 O9 94.6(3) 4_654 .
O3 Cd1 N6 138.0(2) 4_654 2_664
O9 Cd1 N6 84.3(3) . 2_664
O3 Cd1 O1 83.2(2) 4_654 .
O9 Cd1 O1 94.5(3) . .
N6 Cd1 O1 138.8(2) 2_664 .
O3 Cd1 N1 85.6(2) 4_654 .
O9 Cd1 N1 172.8(3) . .
N6 Cd1 N1 90.6(2) 2_664 .
O1 Cd1 N1 92.7(2) . .
O3 Cd1 O2 135.3(2) 4_654 .
O9 Cd1 O2 86.5(3) . .
N6 Cd1 O2 86.7(2) 2_664 .
O1 Cd1 O2 52.2(2) . .
N1 Cd1 O2 98.4(3) . .
O3 Cd1 O4 51.98(17) 4_654 4_654
O9 Cd1 O4 92.2(3) . 4_654
N6 Cd1 O4 86.0(2) 2_664 4_654
O1 Cd1 O4 135.1(2) . 4_654
N1 Cd1 O4 82.30(19) . 4_654
O2 Cd1 O4 172.7(2) . 4_654
O3 Cd1 C1 108.9(2) 4_654 .
O9 Cd1 C1 92.5(3) . .
N6 Cd1 C1 113.1(2) 2_664 .
O1 Cd1 C1 25.7(2) . .
N1 Cd1 C1 94.3(2) . .
O2 Cd1 C1 26.6(2) . .
O4 Cd1 C1 160.7(2) 4_654 .
N4 Cd2 N4 91.2(4) . 2_655
N4 Cd2 O7 141.0(2) . 4_664
N4 Cd2 O7 102.9(3) 2_655 4_664
N4 Cd2 O7 102.9(3) . 3_466
N4 Cd2 O7 141.0(2) 2_655 3_466
O7 Cd2 O7 88.6(4) 4_664 3_466
N4 Cd2 O6 102.3(2) . 3_466
N4 Cd2 O6 88.0(2) 2_655 3_466
O7 Cd2 O6 114.1(2) 4_664 3_466
O7 Cd2 O6 53.7(2) 3_466 3_466
N4 Cd2 O6 88.0(2) . 4_664
N4 Cd2 O6 102.3(2) 2_655 4_664
O7 Cd2 O6 53.7(2) 4_664 4_664
O7 Cd2 O6 114.1(2) 3_466 4_664
O6 Cd2 O6 165.3(3) 3_466 4_664
N4 Cd2 C15 106.9(3) . 3_466
N4 Cd2 C15 114.7(3) 2_655 3_466
O7 Cd2 C15 99.9(3) 4_664 3_466
O7 Cd2 C15 26.5(2) 3_466 3_466
O6 Cd2 C15 27.5(2) 3_466 3_466
O6 Cd2 C15 139.3(3) 4_664 3_466
N4 Cd2 C15 114.7(3) . 4_664
N4 Cd2 C15 106.9(3) 2_655 4_664
O7 Cd2 C15 26.5(2) 4_664 4_664
O7 Cd2 C15 99.9(3) 3_466 4_664
O6 Cd2 C15 139.3(3) 3_466 4_664
O6 Cd2 C15 27.5(2) 4_664 4_664
C15 Cd2 C15 119.3(4) 3_466 4_664
C16 N1 C17 105.4(6) . .
C16 N1 Cd1 124.9(5) . .
C17 N1 Cd1 129.7(5) . .
C16 N2 C18 105.9(6) . .
C16 N2 C19 124.3(6) . .
C18 N2 C19 129.6(6) . .
C25 N3 C27 105.0(7) . .
C25 N3 C23 127.1(7) . .
C27 N3 C23 127.6(7) . .
C25 N4 C26 105.4(7) . .
C25 N4 Cd2 121.9(5) . .
C26 N4 Cd2 132.0(6) . .
C28 N5 C29 106.2(6) . .
C28 N5 C21 127.4(7) . .
C29 N5 C21 126.1(6) . .
C28 N6 C30 104.7(6) . .
C28 N6 Cd1 127.2(5) . 2_644
C30 N6 Cd1 128.0(5) . 2_644
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.202(10) .
C1 O2 1.234(10) .
C1 C3 1.516(11) .
C1 Cd1 2.753(8) .
C2 O4 1.253(9) .
C2 O3 1.256(9) .
C2 C4 1.490(11) .
C3 C8 1.392(10) .
C3 C4 1.394(10) .
C4 C5 1.392(9) .
C5 O5 1.373(9) .
C5 C6 1.401(11) .
C6 C7 1.372(11) .
C6 H6 0.9300 .
C7 C8 1.374(11) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 O5 1.369(8) .
C9 C10 1.392(11) .
C9 C14 1.412(11) .
C10 C11 1.412(11) .
C10 H10 0.9300 .
C11 C12 1.397(12) .
C11 H11 0.9300 .
C12 C13 1.399(11) .
C12 C15 1.498(11) .
C13 C14 1.388(11) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 O7 1.217(11) .
C15 O6 1.250(10) .
C15 Cd2 2.708(9) 3_534
C16 N1 1.303(9) .
C16 N2 1.361(9) .
C16 H16 0.9300 .
C17 C18 1.351(11) .
C17 N1 1.395(9) .
C17 H17 0.9300 .
C18 N2 1.384(9) .
C18 H18 0.9300 .
C19 C24 1.376(11) .
C19 C20 1.393(10) .
C19 N2 1.418(9) .
C20 C21 1.396(10) .
C20 H20 0.9300 .
C21 C22 1.374(11) .
C21 N5 1.432(9) .
C22 C23 1.376(11) .
C22 H22 0.9300 .
C23 C24 1.399(10) .
C23 N3 1.408(9) .
C24 H24 0.9300 .
C25 N4 1.306(10) .
C25 N3 1.366(10) .
C25 H25 0.9300 .
C26 C27 1.335(12) .
C26 N4 1.350(10) .
C26 H26 0.9300 .
C27 N3 1.388(10) .
C27 H27 0.9300 .
C28 N6 1.300(10) .
C28 N5 1.356(10) .
C28 H28 0.9300 .
C29 C30 1.348(11) .
C29 N5 1.386(10) .
C29 H29 0.9300 .
C30 N6 1.368(9) .
C30 H30 0.9300 .
O1 Cd1 2.340(6) .
O2 Cd1 2.476(8) .
O3 Cd1 2.290(4) 4_644
O4 Cd1 2.650(5) 4_644
O6 Cd2 2.456(6) 3_534
O7 Cd2 2.281(6) 3_534
O8 H8A 0.8456 .
O8 H8B 0.8466 .
O9 Cd1 2.306(6) .
O9 H9A 0.8534 .
O9 H9B 0.8590 .
O10 H10A 0.8779 .
O10 H10B 0.8581 .
Cd1 O3 2.290(4) 4_654
Cd1 N6 2.316(6) 2_664
Cd1 N1 2.341(6) .
Cd1 O4 2.650(5) 4_654
Cd2 N4 2.249(7) .
Cd2 N4 2.249(7) 2_655
Cd2 O7 2.281(6) 4_664
Cd2 O7 2.281(6) 3_466
Cd2 O6 2.456(6) 3_466
Cd2 O6 2.456(6) 4_664
Cd2 C15 2.708(9) 3_466
Cd2 C15 2.708(9) 4_664
N6 Cd1 2.316(6) 2_644
