#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/16/7221615.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_7221615
loop_
_publ_author_name
'Zhang, Xiutang'
'Fan, Liming'
'Fan, Weiliu'
'Li, Bin'
'Zhao, Xian'
_publ_section_title
;
 Assembly of a series of d10coordination polymers based on W-shaped
 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses,
 structural diversity, luminescence, to photocatalytic properties
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              6681
_journal_paper_doi               10.1039/C5CE01157D
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C36 H26 Cd2 N4 O9'
_chemical_formula_weight         883.41
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-05-17 deposited with the CCDC.
2015-07-22 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 96.5018(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0644(5)
_cell_length_b                   28.5964(13)
_cell_length_c                   10.4332(5)
_cell_measurement_reflns_used    9943
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.17
_cell_measurement_theta_min      2.94
_cell_volume                     3279.9(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0880
_diffrn_reflns_av_sigmaI/netI    0.0599
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            37201
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.90
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.361
_exptl_absorpt_correction_T_max  0.8989
_exptl_absorpt_correction_T_min  0.8537
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.113
_refine_diff_density_min         -0.704
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     467
_refine_ls_number_reflns         5751
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0462
_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)+(0.3900P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1148
_refine_ls_wR_factor_ref         0.1236
_reflns_number_gt                2773
_reflns_number_total             5751
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce01157d2.cif
_cod_data_source_block           2sad
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7221611--7221615.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7221615
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'
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 0.2346(11) 0.0933(5) 0.4847(13) 0.079(4) Uani 1 1 d .
C2 C 0.1026(13) 0.1107(5) 0.4680(13) 0.090(4) Uani 1 1 d .
C3 C 0.0135(11) 0.0862(5) 0.5211(13) 0.086(4) Uani 1 1 d .
H3 H 0.0362 0.0600 0.5711 0.103 Uiso 1 1 calc R
C4 C -0.1061(12) 0.0984(5) 0.5040(13) 0.085(4) Uani 1 1 d .
C5 C -0.1995(14) 0.0677(5) 0.5650(14) 0.092(4) Uani 1 1 d .
C6 C -0.1429(12) 0.1366(5) 0.4351(14) 0.095(4) Uani 1 1 d .
H6 H -0.2243 0.1454 0.4249 0.115 Uiso 1 1 calc R
C7 C -0.0566(13) 0.1625(5) 0.3795(15) 0.104(5) Uani 1 1 d .
H7 H -0.0814 0.1888 0.3311 0.125 Uiso 1 1 calc R
C8 C 0.0672(12) 0.1502(5) 0.3944(13) 0.085(4) Uani 1 1 d .
C9 C 0.1464(13) 0.2250(6) 0.2992(16) 0.107(5) Uani 1 1 d .
H9 H 0.0995 0.2430 0.3488 0.129 Uiso 1 1 calc R
C10 C 0.1512(12) 0.1759(5) 0.3145(14) 0.090(4) Uani 1 1 d .
C11 C 0.2175(10) 0.1509(4) 0.2386(13) 0.076(3) Uani 1 1 d .
H11 H 0.2184 0.1185 0.2464 0.091 Uiso 1 1 calc R
C12 C 0.2856(13) 0.1715(5) 0.1481(14) 0.096(4) Uani 1 1 d .
C13 C 0.2815(13) 0.2204(5) 0.1328(14) 0.095(4) Uani 1 1 d .
H13 H 0.3245 0.2349 0.0723 0.114 Uiso 1 1 calc R
C14 C 0.2135(14) 0.2463(6) 0.2081(15) 0.104(5) Uani 1 1 d .
H14 H 0.2115 0.2787 0.1991 0.124 Uiso 1 1 calc R
C15 C 0.3528(13) 0.1420(5) 0.0626(14) 0.091(4) Uani 1 1 d .
C16 C 0.3364(14) 0.1444(5) -0.0704(14) 0.102(5) Uani 1 1 d .
H16 H 0.2875 0.1685 -0.1065 0.122 Uiso 1 1 calc R
C17 C 0.3845(13) 0.1152(5) -0.1539(15) 0.095(4) Uani 1 1 d .
H17 H 0.3650 0.1174 -0.2428 0.114 Uiso 1 1 calc R
C18 C 0.4655(13) 0.0815(5) -0.0967(14) 0.090(4) Uani 1 1 d .
C19 C 0.4853(12) 0.0764(5) 0.0306(12) 0.084(4) Uani 1 1 d .
H19 H 0.5371 0.0527 0.0637 0.100 Uiso 1 1 calc R
C20 C 0.4331(11) 0.1045(5) 0.1152(14) 0.084(4) Uani 1 1 d .
C21 C 0.5333(13) 0.0513(5) -0.1832(13) 0.088(4) Uani 1 1 d .
C22 C 0.4682(12) 0.1010(5) 0.2565(15) 0.084(4) Uani 1 1 d .
C23 C 0.1667(13) 0.0397(6) 0.0092(16) 0.102(5) Uani 1 1 d .
H23 H 0.2347 0.0322 -0.0315 0.122 Uiso 1 1 calc R
C24 C 0.0603(17) 0.0545(6) -0.0459(17) 0.119(6) Uani 1 1 d .
H24 H 0.0405 0.0585 -0.1342 0.142 Uiso 1 1 calc R
C25 C 0.0441(14) 0.0506(5) 0.1545(14) 0.095(4) Uani 1 1 d .
H25 H 0.0110 0.0509 0.2325 0.114 Uiso 1 1 calc R
C26 C -0.1382(14) 0.0777(5) 0.018(2) 0.125(7) Uani 1 1 d .
H26A H -0.1870 0.0620 0.0759 0.150 Uiso 1 1 calc R
H26B H -0.1701 0.0696 -0.0701 0.150 Uiso 1 1 calc R
C27 C 0.9458(15) 0.3375(6) 0.5140(16) 0.106(5) Uani 1 1 d .
H27 H 1.0175 0.3491 0.4874 0.127 Uiso 1 1 calc R
C28 C 0.8532(15) 0.3680(6) 0.5364(14) 0.102(5) Uani 1 1 d .
C29 C 0.7511(13) 0.3490(5) 0.5742(17) 0.103(5) Uani 1 1 d .
H29 H 0.6894 0.3691 0.5931 0.123 Uiso 1 1 calc R
C30 C 0.7326(13) 0.2991(5) 0.5870(15) 0.097(4) Uani 1 1 d .
C31 C 0.8282(13) 0.2705(6) 0.5631(16) 0.105(5) Uani 1 1 d .
H31 H 0.8197 0.2382 0.5693 0.126 Uiso 1 1 calc R
C32 C 0.9313(14) 0.2879(6) 0.5318(18) 0.118(6) Uani 1 1 d .
H32 H 0.9956 0.2679 0.5210 0.141 Uiso 1 1 calc R
C33 C 0.6129(15) 0.2835(6) 0.624(2) 0.132(6) Uani 1 1 d .
H33A H 0.5953 0.3006 0.7002 0.158 Uiso 1 1 calc R
H33B H 0.5498 0.2908 0.5549 0.158 Uiso 1 1 calc R
C34 C 0.6734(16) 0.2098(9) 0.744(2) 0.153(8) Uani 1 1 d .
H34 H 0.7272 0.2227 0.8097 0.184 Uiso 1 1 calc R
C35 C 0.6482(19) 0.1656(7) 0.7286(19) 0.131(6) Uani 1 1 d .
H35 H 0.6737 0.1424 0.7882 0.157 Uiso 1 1 calc R
C36 C 0.5581(15) 0.2000(5) 0.5678(17) 0.103(5) Uani 1 1 d .
H36 H 0.5136 0.2065 0.4887 0.123 Uiso 1 1 calc R
Cd1 Cd 0.50474(9) 0.09325(4) 0.51965(11) 0.0861(4) Uani 1 1 d .
Cd2 Cd 0.29745(9) 0.00786(4) 0.29274(10) 0.0876(4) Uani 1 1 d .
N1 N 0.1562(10) 0.0379(4) 0.1401(11) 0.088(3) Uani 1 1 d .
N2 N -0.0144(11) 0.0626(4) 0.0422(13) 0.096(4) Uani 1 1 d .
N3 N 0.5804(11) 0.1576(5) 0.6152(12) 0.099(4) Uani 1 1 d .
N4 N 0.6099(12) 0.2328(4) 0.6518(14) 0.104(4) Uani 1 1 d .
O1 O 0.3158(8) 0.1242(4) 0.5212(10) 0.099(3) Uani 1 1 d .
O2 O 0.2530(10) 0.0510(4) 0.4672(11) 0.108(3) Uani 1 1 d .
O3 O -0.1610(10) 0.0476(4) 0.6692(10) 0.110(3) Uani 1 1 d .
O4 O -0.3003(9) 0.0645(4) 0.5085(11) 0.117(4) Uani 1 1 d .
O5 O 0.4522(8) 0.0637(3) 0.3153(9) 0.091(3) Uani 1 1 d .
O6 O 0.5127(9) 0.1365(4) 0.3168(10) 0.094(3) Uani 1 1 d .
O7 O 0.6230(9) 0.0272(4) -0.1270(10) 0.100(3) Uani 1 1 d .
O8 O 0.5026(10) 0.0476(4) -0.3052(9) 0.100(3) Uani 1 1 d .
O1W O 0.73190(15) 0.01541(9) 0.2673(7) 0.170(6) Uani 1 1 d D
H1W H 0.80110(18) 0.0109(3) 0.3021(9) 0.080 Uiso 1 1 d D
H2W H 0.6863(4) -0.00719(19) 0.268(2) 0.080 Uiso 1 1 d 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'
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
O2 C1 O1 126.2(12) . .
O2 C1 C2 117.9(12) . .
O1 C1 C2 115.9(12) . .
C8 C2 C3 117.7(13) . .
C8 C2 C1 121.8(12) . .
C3 C2 C1 120.4(12) . .
C4 C3 C2 123.2(14) . .
C4 C3 H3 118.4 . .
C2 C3 H3 118.4 . .
C6 C4 C3 120.6(13) . .
C6 C4 C5 120.3(12) . .
C3 C4 C5 119.1(13) . .
O4 C5 O3 126.2(14) . .
O4 C5 C4 117.8(13) . .
O3 C5 C4 116.0(13) . .
C4 C6 C7 118.5(13) . .
C4 C6 H6 120.7 . .
C7 C6 H6 120.7 . .
C6 C7 C8 121.9(13) . .
C6 C7 H7 119.1 . .
C8 C7 H7 119.1 . .
C2 C8 C7 118.1(13) . .
C2 C8 C10 123.1(12) . .
C7 C8 C10 118.1(12) . .
C14 C9 C10 119.4(14) . .
C14 C9 H9 120.3 . .
C10 C9 H9 120.3 . .
C11 C10 C9 118.5(14) . .
C11 C10 C8 118.7(13) . .
C9 C10 C8 121.9(13) . .
C10 C11 C12 122.9(13) . .
C10 C11 H11 118.5 . .
C12 C11 H11 118.6 . .
C11 C12 C13 118.8(13) . .
C11 C12 C15 120.4(13) . .
C13 C12 C15 120.6(12) . .
C14 C13 C12 119.1(13) . .
C14 C13 H13 120.4 . .
C12 C13 H13 120.4 . .
C13 C14 C9 121.3(15) . .
C13 C14 H14 119.4 . .
C9 C14 H14 119.4 . .
C16 C15 C20 114.8(13) . .
C16 C15 C12 123.8(13) . .
C20 C15 C12 121.1(13) . .
C17 C16 C15 126.7(14) . .
C17 C16 H16 116.6 . .
C15 C16 H16 116.7 . .
C16 C17 C18 115.3(14) . .
C16 C17 H17 122.3 . .
C18 C17 H17 122.3 . .
C19 C18 C17 121.6(13) . .
C19 C18 C21 120.0(12) . .
C17 C18 C21 118.4(13) . .
C18 C19 C20 123.2(13) . .
C18 C19 H19 118.4 . .
C20 C19 H19 118.4 . .
C19 C20 C15 118.1(13) . .
C19 C20 C22 121.3(12) . .
C15 C20 C22 120.2(13) . .
O7 C21 O8 120.5(13) . .
O7 C21 C18 116.2(12) . .
O8 C21 C18 123.2(13) . .
O5 C22 O6 120.6(14) . .
O5 C22 C20 120.5(13) . .
O6 C22 C20 118.9(12) . .
O5 C22 Cd1 56.9(7) . .
O6 C22 Cd1 64.0(8) . .
C20 C22 Cd1 173.3(10) . .
C24 C23 N1 105.8(15) . .
C24 C23 H23 127.1 . .
N1 C23 H23 127.1 . .
C23 C24 N2 110.5(16) . .
C23 C24 H24 124.7 . .
N2 C24 H24 124.8 . .
N1 C25 N2 110.2(13) . .
N1 C25 H25 124.9 . .
N2 C25 H25 124.9 . .
N2 C26 C28 110.3(12) . 4_465
N2 C26 H26A 109.6 . .
C28 C26 H26A 109.6 4_465 .
N2 C26 H26B 109.6 . .
C28 C26 H26B 109.6 4_465 .
H26A C26 H26B 108.1 . .
C28 C27 C32 120.1(16) . .
C28 C27 H27 119.9 . .
C32 C27 H27 119.9 . .
C29 C28 C27 117.1(15) . .
C29 C28 C26 119.9(14) . 4_666
C27 C28 C26 123.0(15) . 4_666
C28 C29 C30 123.6(15) . .
C28 C29 H29 118.2 . .
C30 C29 H29 118.2 . .
C31 C30 C29 116.6(14) . .
C31 C30 C33 126.1(14) . .
C29 C30 C33 117.3(14) . .
C32 C31 C30 121.5(16) . .
C32 C31 H31 119.3 . .
C30 C31 H31 119.3 . .
C31 C32 C27 121.0(16) . .
C31 C32 H32 119.5 . .
C27 C32 H32 119.5 . .
N4 C33 C30 112.6(14) . .
N4 C33 H33A 109.0 . .
C30 C33 H33A 109.1 . .
N4 C33 H33B 109.1 . .
C30 C33 H33B 109.0 . .
H33A C33 H33B 107.8 . .
N4 C34 C35 107.9(17) . .
N4 C34 H34 125.9 . .
C35 C34 H34 126.2 . .
C34 C35 N3 111.4(18) . .
C34 C35 H35 124.2 . .
N3 C35 H35 124.4 . .
N3 C36 N4 110.0(15) . .
N3 C36 H36 125.0 . .
N4 C36 H36 125.1 . .
N3 Cd1 O8 98.9(4) . 1_556
N3 Cd1 O1 88.5(4) . .
O8 Cd1 O1 97.2(4) 1_556 .
N3 Cd1 O5 139.9(4) . .
O8 Cd1 O5 120.9(4) 1_556 .
O1 Cd1 O5 90.8(3) . .
N3 Cd1 O4 90.6(4) . 1_655
O8 Cd1 O4 86.0(4) 1_556 1_655
O1 Cd1 O4 176.7(4) . 1_655
O5 Cd1 O4 87.8(4) . 1_655
N3 Cd1 O6 85.5(4) . .
O8 Cd1 O6 174.5(4) 1_556 .
O1 Cd1 O6 86.2(3) . .
O5 Cd1 O6 54.5(3) . .
O4 Cd1 O6 90.6(4) 1_655 .
N3 Cd1 C22 113.0(4) . .
O8 Cd1 C22 148.0(4) 1_556 .
O1 Cd1 C22 86.8(4) . .
O5 Cd1 C22 27.1(3) . .
O4 Cd1 C22 90.6(4) 1_655 .
O6 Cd1 C22 27.5(3) . .
O3 Cd2 O7 98.5(4) 3_556 3_655
O3 Cd2 N1 88.2(4) 3_556 .
O7 Cd2 N1 85.9(4) 3_655 .
O3 Cd2 O2 91.7(4) 3_556 .
O7 Cd2 O2 168.7(4) 3_655 .
N1 Cd2 O2 99.2(4) . .
O3 Cd2 O5 164.0(4) 3_556 .
O7 Cd2 O5 92.1(4) 3_655 .
N1 Cd2 O5 104.5(4) . .
O2 Cd2 O5 76.9(4) . .
C25 N1 C23 106.7(12) . .
C25 N1 Cd2 127.4(10) . .
C23 N1 Cd2 125.4(10) . .
C24 N2 C25 106.8(14) . .
C24 N2 C26 126.0(16) . .
C25 N2 C26 127.0(15) . .
C36 N3 C35 103.6(15) . .
C36 N3 Cd1 123.3(11) . .
C35 N3 Cd1 133.0(12) . .
C34 N4 C36 106.4(16) . .
C34 N4 C33 128.0(17) . .
C36 N4 C33 124.4(15) . .
C1 O1 Cd1 110.1(8) . .
C1 O2 Cd2 133.7(9) . .
C5 O3 Cd2 107.8(9) . 3_556
C5 O4 Cd1 139.6(11) . 1_455
C22 O5 Cd1 96.1(9) . .
C22 O5 Cd2 132.5(9) . .
Cd1 O5 Cd2 116.7(4) . .
C22 O6 Cd1 88.5(8) . .
C21 O7 Cd2 103.6(9) . 3_655
C21 O8 Cd1 137.0(10) . 1_554
H1W O1W H2W 114.6(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.245(15) .
C1 O1 1.286(15) .
C1 C2 1.534(19) .
C2 C8 1.398(18) .
C2 C3 1.375(18) .
C3 C4 1.361(17) .
C3 H3 0.9300 .
C4 C6 1.345(19) .
C4 C5 1.546(19) .
C5 O4 1.205(17) .
C5 O3 1.260(17) .
C6 C7 1.387(19) .
C6 H6 0.9300 .
C7 C8 1.406(19) .
C7 H7 0.9300 .
C8 C10 1.506(19) .
C9 C14 1.41(2) .
C9 C10 1.41(2) .
C9 H9 0.9300 .
C10 C11 1.344(18) .
C11 C12 1.403(18) .
C11 H11 0.9300 .
C12 C13 1.41(2) .
C12 C15 1.49(2) .
C13 C14 1.37(2) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C16 1.38(2) .
C15 C20 1.460(18) .
C16 C17 1.36(2) .
C16 H16 0.9300 .
C17 C18 1.403(19) .
C17 H17 0.9300 .
C18 C19 1.329(18) .
C18 C21 1.508(19) .
C19 C20 1.368(19) .
C19 H19 0.9300 .
C20 C22 1.48(2) .
C21 O7 1.294(16) .
C21 O8 1.284(16) .
C22 O5 1.252(15) .
C22 O6 1.264(16) .
C22 Cd1 2.738(15) .
C23 C24 1.32(2) .
C23 N1 1.386(18) .
C23 H23 0.9300 .
C24 N2 1.32(2) .
C24 H24 0.9300 .
C25 N1 1.317(18) .
C25 N2 1.318(18) .
C25 H25 0.9300 .
C26 N2 1.432(19) .
C26 C28 1.57(2) 4_465
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.39(2) .
C27 C32 1.44(2) .
C27 H27 0.9300 .
C28 C29 1.35(2) .
C28 C26 1.57(2) 4_666
C29 C30 1.449(19) .
C29 H29 0.9300 .
C30 C31 1.38(2) .
C30 C33 1.49(2) .
C31 C32 1.32(2) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 N4 1.48(2) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 N4 1.30(2) .
C34 C35 1.30(3) .
C34 H34 0.9300 .
C35 N3 1.35(2) .
C35 H35 0.9300 .
C36 N3 1.322(18) .
C36 N4 1.364(19) .
C36 H36 0.9300 .
Cd1 N3 2.212(13) .
Cd1 O8 2.249(10) 1_556
Cd1 O1 2.272(10) .
Cd1 O5 2.306(10) .
Cd1 O4 2.324(10) 1_655
Cd1 O6 2.462(10) .
Cd2 O3 2.256(10) 3_556
Cd2 O7 2.261(10) 3_655
Cd2 N1 2.269(12) .
Cd2 O2 2.297(10) .
Cd2 O5 2.333(9) .
O3 Cd2 2.256(10) 3_556
O4 Cd1 2.324(10) 1_455
O7 Cd2 2.261(10) 3_655
O8 Cd1 2.249(10) 1_554
O1W H1W 0.8200(10) .
O1W H2W 0.8200(10) .
