#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/28/1512826.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_1512826
loop_
_publ_author_name
'Guang-Bo Che'
'Shan-Shan Wang'
'Xiao-Lin Zha'
'Xiu-Ying Li'
'Chun-Bo Liu'
'Xing-Jing Zhang'
'Zhan-Lin Xu'
'Qing-Wei Wang'
_publ_section_title
;
 Syntheses, structures, and photoluminescence of a series of d10
 coordination complexes from N,N'-bidentate
 imidazo[4,5-f][1,10]phenanthroline and benzene-1,3,5-tricarboxylic acid
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              481
_journal_page_last               487
_journal_paper_doi               10.1016/j.ica.2012.09.007
_journal_volume                  394
_journal_year                    2013
_chemical_formula_moiety         'C35 H23 Cd2 Cl N8 O8'
_chemical_formula_sum            'C35 H23 Cd2 Cl N8 O8'
_chemical_formula_weight         943.86
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                98.04(3)
_cell_angle_beta                 91.10(3)
_cell_angle_gamma                106.72(3)
_cell_formula_units_Z            2
_cell_length_a                   9.6373(19)
_cell_length_b                   12.802(3)
_cell_length_c                   14.049(3)
_cell_measurement_reflns_used    4027
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.15
_cell_volume                     1640.5(7)
_computing_cell_refinement       'PROCESS-AUTO '
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'PROCESS-AUTO '
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      292(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_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  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0293
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16114
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    1.447
_exptl_absorpt_correction_T_max  0.696
_exptl_absorpt_correction_T_min  0.579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.911
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             932
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.866
_refine_diff_density_min         -0.715
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     503
_refine_ls_number_reflns         7446
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.163
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0447P)²+3.0235P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0953
_refine_ls_wR_factor_ref         0.1042
_reflns_number_gt                6187
_reflns_number_total             7446
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-394-481-487-2.cif
_cod_data_source_block           aa
_cod_original_cell_volume        1640.4(6)
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1512826
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
C1 C 0.1387(5) 0.0777(4) 0.1135(4) 0.0445(11) Uani 1 1 d .
H1 H 0.0571 0.1023 0.1111 0.053 Uiso 1 1 calc R
C2 C 0.1201(5) -0.0320(4) 0.1237(4) 0.0505(13) Uani 1 1 d .
H2 H 0.0273 -0.0800 0.1246 0.061 Uiso 1 1 calc R
C3 C 0.2382(5) -0.0684(4) 0.1322(4) 0.0408(10) Uani 1 1 d .
H3A H 0.2271 -0.1406 0.1419 0.049 Uiso 1 1 calc R
C4 C 0.3765(5) 0.0036(3) 0.1261(3) 0.0297(8) Uani 1 1 d .
C5 C 0.5094(5) -0.0233(3) 0.1297(3) 0.0298(8) Uani 1 1 d .
C6 C 0.6835(6) -0.1000(4) 0.1414(4) 0.0438(11) Uani 1 1 d .
H6 H 0.7308 -0.1522 0.1500 0.053 Uiso 1 1 calc R
C7 C 0.6430(5) 0.0485(3) 0.1196(3) 0.0310(8) Uani 1 1 d .
C8 C 0.6558(5) 0.1595(3) 0.1034(3) 0.0301(8) Uani 1 1 d .
C9 C 0.7874(5) 0.2364(4) 0.0895(4) 0.0406(10) Uani 1 1 d .
H9 H 0.8736 0.2174 0.0902 0.049 Uiso 1 1 calc R
C10 C 0.7873(5) 0.3394(4) 0.0751(4) 0.0450(11) Uani 1 1 d .
H10 H 0.8735 0.3914 0.0650 0.054 Uiso 1 1 calc R
C11 C 0.6581(5) 0.3659(4) 0.0754(4) 0.0402(10) Uani 1 1 d .
H11 H 0.6599 0.4367 0.0658 0.048 Uiso 1 1 calc R
C12 C 0.5282(4) 0.1909(3) 0.1019(3) 0.0252(7) Uani 1 1 d .
C13 C 0.3867(4) 0.1130(3) 0.1119(3) 0.0262(8) Uani 1 1 d .
C14 C 0.1303(5) 0.0712(4) 0.3770(4) 0.0413(11) Uani 1 1 d .
H14 H 0.0467 0.0934 0.3748 0.050 Uiso 1 1 calc R
C15 C 0.1171(5) -0.0373(4) 0.3881(4) 0.0398(10) Uani 1 1 d .
H15 H 0.0262 -0.0864 0.3932 0.048 Uiso 1 1 calc R
C16 C 0.2389(5) -0.0710(3) 0.3912(3) 0.0351(9) Uani 1 1 d .
H16 H 0.2320 -0.1428 0.4004 0.042 Uiso 1 1 calc R
C17 C 0.3739(4) 0.0029(3) 0.3806(3) 0.0262(8) Uani 1 1 d .
C18 C 0.5091(4) -0.0223(3) 0.3807(3) 0.0276(8) Uani 1 1 d .
C19 C 0.6862(5) -0.0958(4) 0.3828(3) 0.0393(10) Uani 1 1 d .
H19 H 0.7352 -0.1484 0.3849 0.047 Uiso 1 1 calc R
C20 C 0.6402(4) 0.0549(3) 0.3744(3) 0.0304(8) Uani 1 1 d .
C21 C 0.6478(4) 0.1670(3) 0.3650(3) 0.0302(8) Uani 1 1 d .
C22 C 0.7788(5) 0.2495(4) 0.3563(4) 0.0472(12) Uani 1 1 d .
H22 H 0.8671 0.2336 0.3578 0.057 Uiso 1 1 calc R
C23 C 0.7737(5) 0.3523(4) 0.3455(5) 0.0531(14) Uani 1 1 d .
H23 H 0.8585 0.4075 0.3389 0.064 Uiso 1 1 calc R
C24 C 0.6398(5) 0.3740(4) 0.3443(4) 0.0453(12) Uani 1 1 d .
H24 H 0.6373 0.4445 0.3367 0.054 Uiso 1 1 calc R
C25 C 0.5179(4) 0.1948(3) 0.3633(3) 0.0270(8) Uani 1 1 d .
C26 C 0.3797(4) 0.1127(3) 0.3706(3) 0.0261(8) Uani 1 1 d .
C27 C 0.1906(4) 0.3413(3) -0.0820(3) 0.0284(8) Uani 1 1 d .
C28 C 0.1185(4) 0.3447(3) -0.1758(3) 0.0260(8) Uani 1 1 d .
C29 C 0.1903(4) 0.3459(3) -0.2608(3) 0.0261(8) Uani 1 1 d .
H29 H 0.2872 0.3470 -0.2597 0.031 Uiso 1 1 calc R
C30 C 0.1170(4) 0.3454(3) -0.3479(3) 0.0260(8) Uani 1 1 d .
C31 C -0.0271(4) 0.3428(3) -0.3493(3) 0.0250(7) Uani 1 1 d .
H31 H -0.0753 0.3435 -0.4071 0.030 Uiso 1 1 calc R
C32 C -0.1019(4) 0.3391(3) -0.2640(3) 0.0278(8) Uani 1 1 d .
C33 C -0.0280(4) 0.3409(3) -0.1784(3) 0.0279(8) Uani 1 1 d .
H33 H -0.0762 0.3395 -0.1217 0.034 Uiso 1 1 calc R
C34 C -0.2634(4) 0.3236(3) -0.2684(3) 0.0329(9) Uani 1 1 d .
C35 C 0.1898(4) 0.3407(3) 0.5590(3) 0.0268(8) Uani 1 1 d .
N1 N 0.2682(4) 0.1488(3) 0.1071(3) 0.0332(8) Uani 1 1 d .
N2 N 0.5307(4) 0.2949(3) 0.0888(3) 0.0296(7) Uani 1 1 d .
N3 N 0.5369(4) -0.1210(3) 0.1443(3) 0.0367(8) Uani 1 1 d .
H3 H 0.4747 -0.1816 0.1532 0.044 Uiso 1 1 calc R
N4 N 0.7524(4) -0.0004(3) 0.1255(3) 0.0408(9) Uani 1 1 d .
N5 N 0.2576(4) 0.1447(3) 0.3695(2) 0.0292(7) Uani 1 1 d .
N6 N 0.5155(4) 0.2978(3) 0.3538(3) 0.0321(7) Uani 1 1 d .
N7 N 0.5417(4) -0.1192(3) 0.3865(3) 0.0341(8) Uani 1 1 d .
H7 H 0.4814 -0.1821 0.3915 0.041 Uiso 1 1 calc R
N8 N 0.7522(4) 0.0076(3) 0.3760(3) 0.0377(8) Uani 1 1 d .
O1 O 0.3256(3) 0.3576(3) -0.0745(2) 0.0361(7) Uani 1 1 d .
O2 O 0.1153(4) 0.3196(4) -0.0118(2) 0.0538(10) Uani 1 1 d .
O1W O 0.4346(5) 0.5141(3) 0.1399(4) 0.0654(13) Uani 1 1 d D
O3 O 0.1160(3) 0.3355(3) 0.4825(2) 0.0416(8) Uani 1 1 d .
O2W O 0.4041(5) 0.5192(3) 0.4156(3) 0.0486(10) Uani 1 1 d .
O4 O 0.3206(3) 0.3419(2) 0.5596(2) 0.0340(6) Uani 1 1 d .
O5 O -0.3261(3) 0.3123(3) -0.1920(2) 0.0412(7) Uani 1 1 d .
O6 O -0.3232(3) 0.3183(3) -0.3496(2) 0.0391(7) Uani 1 1 d .
Cd1 Cd 0.30948(3) 0.33406(2) 0.09379(2) 0.02734(9) Uani 1 1 d .
Cd2 Cd 0.29526(3) 0.33474(2) 0.37927(2) 0.02781(9) Uani 1 1 d .
Cl Cl 0.15123(11) 0.35544(10) 0.23575(7) 0.0372(2) Uani 1 1 d .
H1WA H 0.375(5) 0.547(5) 0.156(5) 0.08(2) Uiso 1 1 d D
H1WB H 0.511(5) 0.537(7) 0.120(5) 0.09(3) Uiso 1 1 d D
H2WA H 0.470(7) 0.519(5) 0.374(4) 0.053(19) Uiso 1 1 d .
H2WB H 0.359(7) 0.561(5) 0.407(4) 0.052(17) Uiso 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'
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'
Cl Cl 0.1484 0.1585 '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
N1 C1 C2 122.9(4) . .
N1 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C3 C2 C1 119.6(4) . .
C3 C2 H2 120.2 . .
C1 C2 H2 120.2 . .
C2 C3 C4 119.5(4) . .
C2 C3 H3A 120.3 . .
C4 C3 H3A 120.3 . .
C3 C4 C13 117.7(4) . .
C3 C4 C5 126.1(4) . .
C13 C4 C5 116.1(4) . .
C7 C5 N3 105.2(4) . .
C7 C5 C4 124.5(4) . .
N3 C5 C4 130.3(4) . .
N4 C6 N3 114.6(4) . .
N4 C6 H6 122.7 . .
N3 C6 H6 122.7 . .
C5 C7 N4 111.7(4) . .
C5 C7 C8 120.4(4) . .
N4 C7 C8 127.9(4) . .
C9 C8 C12 119.0(4) . .
C9 C8 C7 123.8(4) . .
C12 C8 C7 117.3(4) . .
C10 C9 C8 119.0(4) . .
C10 C9 H9 120.5 . .
C8 C9 H9 120.5 . .
C9 C10 C11 119.4(4) . .
C9 C10 H10 120.3 . .
C11 C10 H10 120.3 . .
N2 C11 C10 123.2(4) . .
N2 C11 H11 118.4 . .
C10 C11 H11 118.4 . .
N2 C12 C8 121.2(4) . .
N2 C12 C13 117.3(3) . .
C8 C12 C13 121.5(4) . .
N1 C13 C4 121.9(4) . .
N1 C13 C12 117.9(4) . .
C4 C13 C12 120.2(4) . .
N5 C14 C15 122.8(4) . .
N5 C14 H14 118.6 . .
C15 C14 H14 118.6 . .
C16 C15 C14 119.2(4) . .
C16 C15 H15 120.4 . .
C14 C15 H15 120.4 . .
C15 C16 C17 119.6(4) . .
C15 C16 H16 120.2 . .
C17 C16 H16 120.2 . .
C16 C17 C26 118.2(4) . .
C16 C17 C18 125.3(4) . .
C26 C17 C18 116.5(3) . .
C20 C18 N7 105.4(4) . .
C20 C18 C17 123.0(4) . .
N7 C18 C17 131.6(4) . .
N8 C19 N7 114.1(4) . .
N8 C19 H19 122.9 . .
N7 C19 H19 122.9 . .
C18 C20 N8 110.5(4) . .
C18 C20 C21 121.0(4) . .
N8 C20 C21 128.4(4) . .
C25 C21 C22 118.6(4) . .
C25 C21 C20 117.8(4) . .
C22 C21 C20 123.6(4) . .
C23 C22 C21 118.9(4) . .
C23 C22 H22 120.5 . .
C21 C22 H22 120.5 . .
C22 C23 C24 119.3(4) . .
C22 C23 H23 120.3 . .
C24 C23 H23 120.4 . .
N6 C24 C23 122.6(5) . .
N6 C24 H24 118.7 . .
C23 C24 H24 118.7 . .
N6 C25 C21 121.5(4) . .
N6 C25 C26 117.6(4) . .
C21 C25 C26 120.9(4) . .
N5 C26 C17 121.0(3) . .
N5 C26 C25 118.2(4) . .
C17 C26 C25 120.8(4) . .
O2 C27 O1 120.6(4) . .
O2 C27 C28 119.5(4) . .
O1 C27 C28 120.0(4) . .
O2 C27 Cd1 57.7(2) . .
O1 C27 Cd1 62.9(2) . .
C28 C27 Cd1 177.1(3) . .
C29 C28 C33 119.6(3) . .
C29 C28 C27 122.0(4) . .
C33 C28 C27 118.3(4) . .
C28 C29 C30 120.1(4) . .
C28 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
C31 C30 C29 119.7(4) . .
C31 C30 C35 119.1(3) . 1_554
C29 C30 C35 121.0(4) . 1_554
C30 C31 C32 120.6(4) . .
C30 C31 H31 119.7 . .
C32 C31 H31 119.7 . .
C33 C32 C31 119.0(4) . .
C33 C32 C34 120.8(4) . .
C31 C32 C34 120.0(4) . .
C32 C33 C28 120.9(4) . .
C32 C33 H33 119.6 . .
C28 C33 H33 119.6 . .
O5 C34 O6 126.0(4) . .
O5 C34 C32 117.3(4) . .
O6 C34 C32 116.7(4) . .
O4 C35 O3 122.5(4) . .
O4 C35 C30 119.5(4) . 1_556
O3 C35 C30 118.0(4) . 1_556
O4 C35 Cd2 66.9(2) . .
O3 C35 Cd2 55.6(2) . .
C30 C35 Cd2 173.5(3) 1_556 .
C1 N1 C13 118.4(4) . .
C1 N1 Cd1 125.1(3) . .
C13 N1 Cd1 116.5(3) . .
C11 N2 C12 118.2(4) . .
C11 N2 Cd1 125.4(3) . .
C12 N2 Cd1 116.4(3) . .
C6 N3 C5 105.2(4) . .
C6 N3 H3 127.4 . .
C5 N3 H3 127.4 . .
C6 N4 C7 103.3(4) . .
C14 N5 C26 119.1(4) . .
C14 N5 Cd2 124.9(3) . .
C26 N5 Cd2 115.2(3) . .
C24 N6 C25 119.1(4) . .
C24 N6 Cd2 124.4(3) . .
C25 N6 Cd2 115.9(3) . .
C19 N7 C18 106.3(4) . .
C19 N7 H7 126.9 . .
C18 N7 H7 126.9 . .
C19 N8 C20 103.6(4) . .
C27 O1 Cd1 89.6(2) . .
C27 O2 Cd1 95.1(3) . .
Cd1 O1W H1WA 107(5) . .
Cd1 O1W H1WB 119(5) . .
H1WA O1W H1WB 129(6) . .
C35 O3 Cd2 97.2(3) . .
Cd2 O2W H2WA 94(4) . .
Cd2 O2W H2WB 119(4) . .
H2WA O2W H2WB 112(6) . .
C35 O4 Cd2 85.9(2) . .
O1W Cd1 O2 109.91(18) . .
O1W Cd1 N1 150.43(17) . .
O2 Cd1 N1 99.46(15) . .
O1W Cd1 N2 88.13(14) . .
O2 Cd1 N2 137.95(13) . .
N1 Cd1 N2 71.60(12) . .
O1W Cd1 O1 90.74(16) . .
O2 Cd1 O1 54.63(11) . .
N1 Cd1 O1 109.57(12) . .
N2 Cd1 O1 88.81(11) . .
O1W Cd1 Cl 86.98(11) . .
O2 Cd1 Cl 89.53(9) . .
N1 Cd1 Cl 90.02(10) . .
N2 Cd1 Cl 130.26(9) . .
O1 Cd1 Cl 140.69(8) . .
O1W Cd1 C27 101.02(17) . .
O2 Cd1 C27 27.19(12) . .
N1 Cd1 C27 106.82(13) . .
N2 Cd1 C27 114.30(13) . .
O1 Cd1 C27 27.45(11) . .
Cl Cd1 C27 115.22(9) . .
O2W Cd2 O3 94.11(16) . .
O2W Cd2 N6 92.55(15) . .
O3 Cd2 N6 146.21(12) . .
O2W Cd2 N5 160.07(13) . .
O3 Cd2 N5 93.27(13) . .
N6 Cd2 N5 71.37(12) . .
O2W Cd2 Cl 92.95(10) . .
O3 Cd2 Cl 94.69(8) . .
N6 Cd2 Cl 118.01(10) . .
N5 Cd2 Cl 104.86(9) . .
O2W Cd2 O4 83.25(13) . .
O3 Cd2 O4 54.36(10) . .
N6 Cd2 O4 93.77(11) . .
N5 Cd2 O4 86.09(11) . .
Cl Cd2 O4 148.17(7) . .
O2W Cd2 C35 88.26(15) . .
O3 Cd2 C35 27.17(11) . .
N6 Cd2 C35 120.35(12) . .
N5 Cd2 C35 89.91(12) . .
Cl Cd2 C35 121.50(9) . .
O4 Cd2 C35 27.19(10) . .
Cd2 Cl Cd1 104.45(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.329(6) .
C1 C2 1.391(7) .
C1 H1 0.9300 .
C2 C3 1.357(7) .
C2 H2 0.9300 .
C3 C4 1.398(6) .
C3 H3A 0.9300 .
C4 C13 1.418(6) .
C4 C5 1.420(6) .
C5 C7 1.373(6) .
C5 N3 1.391(5) .
C6 N4 1.308(6) .
C6 N3 1.363(6) .
C6 H6 0.9300 .
C7 N4 1.379(6) .
C7 C8 1.441(6) .
C8 C9 1.400(6) .
C8 C12 1.400(6) .
C9 C10 1.362(7) .
C9 H9 0.9300 .
C10 C11 1.382(7) .
C10 H10 0.9300 .
C11 N2 1.336(5) .
C11 H11 0.9300 .
C12 N2 1.362(5) .
C12 C13 1.462(5) .
C13 N1 1.351(5) .
C14 N5 1.331(5) .
C14 C15 1.388(7) .
C14 H14 0.9300 .
C15 C16 1.364(6) .
C15 H15 0.9300 .
C16 C17 1.396(6) .
C16 H16 0.9300 .
C17 C26 1.417(6) .
C17 C18 1.430(6) .
C18 C20 1.375(6) .
C18 N7 1.376(5) .
C19 N8 1.312(6) .
C19 N7 1.341(6) .
C19 H19 0.9300 .
C20 N8 1.383(5) .
C20 C21 1.441(6) .
C21 C25 1.396(6) .
C21 C22 1.414(6) .
C22 C23 1.361(7) .
C22 H22 0.9300 .
C23 C24 1.396(7) .
C23 H23 0.9300 .
C24 N6 1.332(6) .
C24 H24 0.9300 .
C25 N6 1.351(5) .
C25 C26 1.455(5) .
C26 N5 1.353(5) .
C27 O2 1.251(5) .
C27 O1 1.257(5) .
C27 C28 1.490(5) .
C27 Cd1 2.727(4) .
C28 C29 1.391(5) .
C28 C33 1.398(5) .
C29 C30 1.400(5) .
C29 H29 0.9300 .
C30 C31 1.379(5) .
C30 C35 1.497(5) 1_554
C31 C32 1.410(6) .
C31 H31 0.9300 .
C32 C33 1.380(6) .
C32 C34 1.510(6) .
C33 H33 0.9300 .
C34 O5 1.247(5) .
C34 O6 1.252(5) .
C35 O4 1.255(5) .
C35 O3 1.261(5) .
C35 C30 1.497(5) 1_556
C35 Cd2 2.740(4) .
N1 Cd1 2.325(4) .
N2 Cd1 2.326(3) .
N3 H3 0.8600 .
N5 Cd2 2.338(3) .
N6 Cd2 2.327(4) .
N7 H7 0.8600 .
O1 Cd1 2.428(3) .
O2 Cd1 2.314(3) .
O1W Cd1 2.268(4) .
O1W H1WA 0.824(10) .
O1W H1WB 0.78(5) .
O3 Cd2 2.279(3) .
O2W Cd2 2.271(3) .
O2W H2WA 0.87(6) .
O2W H2WB 0.80(7) .
O4 Cd2 2.527(3) .
Cd1 Cl 2.5657(13) .
Cd2 Cl 2.5130(12) .
