#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:46:17 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180482 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/51/7215145.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_7215145
loop_
_publ_author_name
'Wang, Lei'
'Yan, Zhi-Hao'
'Xiao, Zhenyu'
'Guo, Dong'
'Wang, Wenqiang'
'Yang, Yu'
_publ_section_title
;
 Reactant ratio-modulated entangled Cd(ii) coordination polymers based on
 rigid tripodal imidazole ligand and tetrabromoterephthalic acid:
 interpenetration, interdigitation and self-penetration
;
_journal_issue                   27
_journal_name_full               CrystEngComm
_journal_page_first              5552
_journal_paper_doi               10.1039/c3ce40273h
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C33 H22 Br8 Cd N6 O10'
_chemical_formula_weight         1414.25
_chemical_name_systematic
;
?
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                86.559(2)
_cell_angle_beta                 80.567(2)
_cell_angle_gamma                72.878(2)
_cell_formula_units_Z            2
_cell_length_a                   12.5908(13)
_cell_length_b                   12.7757(14)
_cell_length_c                   13.7370(15)
_cell_measurement_temperature    298(2)
_cell_volume                     2083.0(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_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  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0682
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10148
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    8.259
_exptl_absorpt_correction_T_max  0.4922
_exptl_absorpt_correction_T_min  0.3705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    2.255
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1340
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.063
_refine_diff_density_min         -0.889
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     528
_refine_ls_number_reflns         7161
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0382
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0342P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0889
_reflns_number_gt                4986
_reflns_number_total             7161
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40273h.cif
_cod_data_source_block           p2
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7215145
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
Cd1 Cd 0.20321(3) -0.19524(3) 1.12590(3) 0.02474(12) Uani 1 1 d .
Br1 Br -0.06686(6) 0.13452(6) 1.29917(5) 0.0489(2) Uani 1 1 d .
Br2 Br -0.14806(5) 0.25837(5) 1.51484(5) 0.03664(18) Uani 1 1 d .
Br3 Br -0.05350(5) -0.25683(5) 0.89760(5) 0.03752(18) Uani 1 1 d .
Br4 Br -0.21925(5) -0.41251(6) 0.88562(5) 0.04056(19) Uani 1 1 d .
Br5 Br 0.82593(6) -0.23128(6) 0.50394(6) 0.0499(2) Uani 1 1 d .
Br6 Br 0.73371(6) -0.07140(6) 0.70099(6) 0.0502(2) Uani 1 1 d .
Br7 Br 0.40301(6) -0.28688(7) 0.82843(6) 0.0567(2) Uani 1 1 d .
Br8 Br 0.50253(7) -0.45358(7) 0.63547(6) 0.0638(3) Uani 1 1 d .
C1 C 0.2304(5) 0.0205(5) 0.9945(5) 0.0270(14) Uani 1 1 d .
H1 H 0.2728 0.0403 1.0357 0.032 Uiso 1 1 calc R
C2 C 0.1356(6) -0.0635(6) 0.9311(5) 0.0468(19) Uani 1 1 d .
H2 H 0.0992 -0.1146 0.9208 0.056 Uiso 1 1 calc R
C3 C 0.1397(5) 0.0223(5) 0.8725(5) 0.0390(17) Uani 1 1 d .
H3 H 0.1077 0.0415 0.8152 0.047 Uiso 1 1 calc R
C4 C 0.2229(4) 0.1755(4) 0.8748(4) 0.0212(13) Uani 1 1 d .
C5 C 0.1470(4) 0.2482(5) 0.8223(4) 0.0239(14) Uani 1 1 d .
H5 H 0.0825 0.2322 0.8116 0.029 Uiso 1 1 calc R
C6 C 0.1677(4) 0.3442(4) 0.7861(4) 0.0206(13) Uani 1 1 d .
C7 C 0.2635(5) 0.3680(5) 0.8018(4) 0.0274(14) Uani 1 1 d .
H7 H 0.2780 0.4326 0.7769 0.033 Uiso 1 1 calc R
C8 C 0.3370(4) 0.2952(5) 0.8546(5) 0.0250(14) Uani 1 1 d .
C9 C 0.3180(5) 0.1987(5) 0.8933(4) 0.0248(14) Uani 1 1 d .
H9 H 0.3676 0.1511 0.9305 0.030 Uiso 1 1 calc R
C10 C 0.0086(5) 0.3987(5) 0.6906(5) 0.0302(15) Uani 1 1 d .
H10 H -0.0065 0.3315 0.6927 0.036 Uiso 1 1 calc R
C11 C 0.0009(6) 0.5694(6) 0.6617(5) 0.0451(18) Uani 1 1 d .
H11 H -0.0228 0.6416 0.6396 0.054 Uiso 1 1 calc R
C12 C 0.0843(5) 0.5270(5) 0.7124(5) 0.0392(17) Uani 1 1 d .
H12 H 0.1314 0.5635 0.7314 0.047 Uiso 1 1 calc R
C13 C 0.5405(5) 0.2414(5) 0.8618(5) 0.0396(18) Uani 1 1 d .
H13 H 0.5539 0.1681 0.8471 0.047 Uiso 1 1 calc R
C14 C 0.4531(5) 0.4134(5) 0.8915(5) 0.0365(17) Uani 1 1 d .
H14 H 0.3979 0.4804 0.9004 0.044 Uiso 1 1 calc R
C15 C 0.5638(5) 0.3931(5) 0.8982(5) 0.0405(18) Uani 1 1 d .
H15 H 0.5975 0.4443 0.9138 0.049 Uiso 1 1 calc R
C16 C 0.0806(6) -0.1079(5) 1.3091(5) 0.0317(15) Uani 1 1 d .
C17 C 0.0391(4) -0.0516(4) 1.4086(4) 0.0216(13) Uani 1 1 d .
C18 C -0.0283(5) 0.0586(5) 1.4146(4) 0.0269(14) Uani 1 1 d .
C19 C -0.0654(4) 0.1083(4) 1.5057(4) 0.0199(13) Uani 1 1 d .
C20 C 0.1415(5) -0.3586(4) 1.0175(5) 0.0288(15) Uani 1 1 d .
C21 C 0.0689(4) -0.4327(5) 1.0071(4) 0.0226(14) Uani 1 1 d .
C22 C -0.0235(5) -0.3970(4) 0.9574(4) 0.0243(14) Uani 1 1 d .
C23 C -0.0919(4) -0.4629(5) 0.9515(4) 0.0213(13) Uani 1 1 d .
C24 C 0.5390(5) -0.1253(6) 0.8420(5) 0.0399(17) Uani 1 1 d .
C25 C 0.5791(5) -0.1958(5) 0.7512(5) 0.0304(15) Uani 1 1 d .
C26 C 0.6695(5) -0.1829(5) 0.6815(5) 0.0347(16) Uani 1 1 d .
C27 C 0.7088(5) -0.2509(5) 0.6019(5) 0.0327(15) Uani 1 1 d .
C28 C 0.6641(5) -0.3370(5) 0.5907(5) 0.0310(15) Uani 1 1 d .
C29 C 0.5723(5) -0.3466(5) 0.6584(5) 0.0351(16) Uani 1 1 d .
C30 C 0.5286(5) -0.2756(5) 0.7363(5) 0.0332(15) Uani 1 1 d .
C31 C 0.7187(5) -0.4214(5) 0.5086(5) 0.0348(16) Uani 1 1 d .
C32 C 0.6336(11) 0.0219(10) 0.3920(9) 0.138(5) Uani 1 1 d .
H32A H 0.6199 -0.0033 0.4588 0.207 Uiso 1 1 calc R
H32B H 0.5990 0.0995 0.3884 0.207 Uiso 1 1 calc R
H32C H 0.7131 0.0061 0.3707 0.207 Uiso 1 1 calc R
C33 C 0.4328(8) -0.2252(8) 0.4071(7) 0.086(3) Uani 1 1 d .
H33A H 0.4280 -0.2823 0.3672 0.130 Uiso 1 1 calc R
H33B H 0.3794 -0.1575 0.3924 0.130 Uiso 1 1 calc R
H33C H 0.4165 -0.2436 0.4756 0.130 Uiso 1 1 calc R
N1 N 0.1926(4) -0.0665(4) 1.0089(4) 0.0292(12) Uani 1 1 d .
N2 N 0.1995(4) 0.0765(4) 0.9126(4) 0.0240(11) Uani 1 1 d .
N3 N 0.0889(4) 0.4205(4) 0.7318(4) 0.0260(12) Uani 1 1 d .
N4 N -0.0444(4) 0.4867(4) 0.6476(4) 0.0350(13) Uani 1 1 d .
H4 H -0.0990 0.4927 0.6154 0.042 Uiso 1 1 calc R
N5 N 0.6179(4) 0.2847(4) 0.8780(4) 0.0325(13) Uani 1 1 d .
N6 N 0.4389(4) 0.3164(4) 0.8691(4) 0.0268(12) Uani 1 1 d .
O1 O 0.1713(4) -0.0981(4) 1.2635(3) 0.0459(12) Uani 1 1 d .
O2 O 0.0240(4) -0.1598(4) 1.2801(3) 0.0481(13) Uani 1 1 d .
O3 O 0.1086(3) -0.3018(4) 1.0954(3) 0.0413(12) Uani 1 1 d .
O4 O 0.2219(4) -0.3595(4) 0.9541(3) 0.0458(13) Uani 1 1 d .
O5 O 0.5742(5) -0.1547(5) 0.9174(4) 0.080(2) Uani 1 1 d .
O6 O 0.4663(4) -0.0287(4) 0.8337(4) 0.0579(14) Uani 1 1 d .
H6 H 0.4523 -0.0197 0.7770 0.087 Uiso 1 1 calc R
O7 O 0.7973(4) -0.4996(4) 0.5331(4) 0.0501(13) Uani 1 1 d .
O8 O 0.6816(4) -0.4065(4) 0.4304(3) 0.0453(12) Uani 1 1 d .
O9 O 0.5896(7) -0.0292(5) 0.3332(5) 0.095(2) Uani 1 1 d .
H9A H 0.5736 -0.0813 0.3632 0.143 Uiso 1 1 calc R
O10 O 0.5411(5) -0.2137(5) 0.3870(5) 0.0810(19) Uani 1 1 d .
H10A H 0.5859 -0.2723 0.3682 0.097 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'
Br Br -0.2901 2.4595 '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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
O3 Cd1 N5 111.28(17) . 2_657 y
O3 Cd1 N1 108.50(18) . . y
N5 Cd1 N1 107.23(19) 2_657 . y
O3 Cd1 O1 125.60(16) . . y
N5 Cd1 O1 100.52(18) 2_657 . y
N1 Cd1 O1 102.23(17) . . y
N1 C1 N2 111.3(5) . . ?
N1 C1 H1 124.3 . . ?
N2 C1 H1 124.3 . . ?
C3 C2 N1 110.8(6) . . ?
C3 C2 H2 124.6 . . ?
N1 C2 H2 124.6 . . ?
C2 C3 N2 106.7(6) . . ?
C2 C3 H3 126.7 . . ?
N2 C3 H3 126.7 . . ?
C9 C4 C5 121.1(5) . . ?
C9 C4 N2 120.0(5) . . ?
C5 C4 N2 118.9(5) . . ?
C6 C5 C4 119.6(5) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C5 C6 C7 120.3(5) . . ?
C5 C6 N3 120.0(5) . . ?
C7 C6 N3 119.8(5) . . ?
C8 C7 C6 119.1(6) . . ?
C8 C7 H7 120.5 . . ?
C6 C7 H7 120.5 . . ?
C7 C8 C9 122.2(5) . . ?
C7 C8 N6 120.1(5) . . ?
C9 C8 N6 117.6(5) . . ?
C4 C9 C8 117.6(5) . . ?
C4 C9 H9 121.2 . . ?
C8 C9 H9 121.2 . . ?
N4 C10 N3 108.5(5) . . ?
N4 C10 H10 125.8 . . ?
N3 C10 H10 125.8 . . ?
C12 C11 N4 107.1(6) . . ?
C12 C11 H11 126.5 . . ?
N4 C11 H11 126.5 . . ?
C11 C12 N3 107.5(6) . . ?
C11 C12 H12 126.2 . . ?
N3 C12 H12 126.2 . . ?
N5 C13 N6 111.4(6) . . ?
N5 C13 H13 124.3 . . ?
N6 C13 H13 124.3 . . ?
C15 C14 N6 106.5(5) . . ?
C15 C14 H14 126.7 . . ?
N6 C14 H14 126.7 . . ?
C14 C15 N5 109.0(5) . . ?
C14 C15 H15 125.5 . . ?
N5 C15 H15 125.5 . . ?
O2 C16 O1 125.0(6) . . ?
O2 C16 C17 118.6(6) . . ?
O1 C16 C17 116.5(5) . . ?
C19 C17 C18 119.1(5) 2_558 . ?
C19 C17 C16 120.3(5) 2_558 . ?
C18 C17 C16 120.5(5) . . ?
C19 C18 C17 119.7(5) . . ?
C19 C18 Br1 121.1(4) . . ?
C17 C18 Br1 119.3(4) . . ?
C17 C19 C18 121.2(5) 2_558 . ?
C17 C19 Br2 118.3(4) 2_558 . ?
C18 C19 Br2 120.4(4) . . ?
O4 C20 O3 127.5(5) . . ?
O4 C20 C21 119.4(5) . . ?
O3 C20 C21 113.0(5) . . ?
C23 C21 C22 118.0(5) 2_547 . ?
C23 C21 C20 120.9(5) 2_547 . ?
C22 C21 C20 121.1(5) . . ?
C23 C22 C21 120.9(5) . . ?
C23 C22 Br3 120.5(4) . . ?
C21 C22 Br3 118.6(4) . . ?
C22 C23 C21 121.0(5) . 2_547 ?
C22 C23 Br4 120.6(4) . . ?
C21 C23 Br4 118.3(4) 2_547 . ?
O5 C24 O6 121.2(6) . . ?
O5 C24 C25 121.4(6) . . ?
O6 C24 C25 117.4(6) . . ?
C30 C25 C26 119.0(5) . . ?
C30 C25 C24 120.7(6) . . ?
C26 C25 C24 120.3(6) . . ?
C27 C26 C25 119.9(6) . . ?
C27 C26 Br6 121.8(5) . . ?
C25 C26 Br6 118.4(5) . . ?
C26 C27 C28 121.3(6) . . ?
C26 C27 Br5 120.7(5) . . ?
C28 C27 Br5 118.0(4) . . ?
C29 C28 C27 118.2(5) . . ?
C29 C28 C31 121.1(6) . . ?
C27 C28 C31 120.7(5) . . ?
C30 C29 C28 121.0(6) . . ?
C30 C29 Br8 120.8(5) . . ?
C28 C29 Br8 118.0(4) . . ?
C29 C30 C25 120.4(6) . . ?
C29 C30 Br7 121.5(5) . . ?
C25 C30 Br7 118.1(4) . . ?
O8 C31 O7 128.3(6) . . ?
O8 C31 C28 118.4(6) . . ?
O7 C31 C28 113.2(6) . . ?
O9 C32 H32A 109.5 . . ?
O9 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
O9 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O10 C33 H33A 109.5 . . ?
O10 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
O10 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C1 N1 C2 104.3(5) . . ?
C1 N1 Cd1 133.4(4) . . ?
C2 N1 Cd1 122.3(4) . . ?
C1 N2 C3 107.0(5) . . ?
C1 N2 C4 127.2(5) . . ?
C3 N2 C4 125.8(5) . . ?
C10 N3 C12 108.0(5) . . ?
C10 N3 C6 126.2(5) . . ?
C12 N3 C6 125.7(5) . . ?
C10 N4 C11 108.9(5) . . ?
C10 N4 H4 125.6 . . ?
C11 N4 H4 125.6 . . ?
C13 N5 C15 106.0(5) . . ?
C13 N5 Cd1 125.0(4) . 2_657 ?
C15 N5 Cd1 129.0(4) . 2_657 ?
C13 N6 C14 107.0(5) . . ?
C13 N6 C8 125.1(5) . . ?
C14 N6 C8 127.9(5) . . ?
C16 O1 Cd1 104.9(4) . . ?
C20 O3 Cd1 118.8(4) . . ?
C24 O6 H6 109.5 . . ?
C32 O9 H9A 109.5 . . ?
C33 O10 H10A 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cd1 O3 2.153(4) . y
Cd1 N5 2.198(5) 2_657 y
Cd1 N1 2.220(5) . y
Cd1 O1 2.239(4) . y
Br1 C18 1.866(6) . ?
Br2 C19 1.894(5) . ?
Br3 C22 1.885(6) . ?
Br4 C23 1.899(5) . ?
Br5 C27 1.891(6) . ?
Br6 C26 1.884(6) . ?
Br7 C30 1.892(6) . ?
Br8 C29 1.894(6) . ?
C1 N1 1.324(7) . ?
C1 N2 1.346(7) . ?
C1 H1 0.9300 . ?
C2 C3 1.329(9) . ?
C2 N1 1.374(8) . ?
C2 H2 0.9300 . ?
C3 N2 1.356(7) . ?
C3 H3 0.9300 . ?
C4 C9 1.380(7) . ?
C4 C5 1.385(8) . ?
C4 N2 1.431(7) . ?
C5 C6 1.375(8) . ?
C5 H5 0.9300 . ?
C6 C7 1.380(7) . ?
C6 N3 1.441(7) . ?
C7 C8 1.371(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.383(8) . ?
C8 N6 1.434(6) . ?
C9 H9 0.9300 . ?
C10 N4 1.291(7) . ?
C10 N3 1.338(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.319(9) . ?
C11 N4 1.376(8) . ?
C11 H11 0.9300 . ?
C12 N3 1.358(8) . ?
C12 H12 0.9300 . ?
C13 N5 1.307(7) . ?
C13 N6 1.347(7) . ?
C13 H13 0.9300 . ?
C14 C15 1.357(7) . ?
C14 N6 1.363(7) . ?
C14 H14 0.9300 . ?
C15 N5 1.374(7) . ?
C15 H15 0.9300 . ?
C16 O2 1.228(7) . ?
C16 O1 1.247(7) . ?
C16 C17 1.525(8) . ?
C17 C19 1.379(7) 2_558 ?
C17 C18 1.414(8) . ?
C18 C19 1.384(8) . ?
C19 C17 1.379(7) 2_558 ?
C20 O4 1.220(7) . ?
C20 O3 1.270(7) . ?
C20 C21 1.524(7) . ?
C21 C23 1.386(8) 2_547 ?
C21 C22 1.393(8) . ?
C22 C23 1.383(7) . ?
C23 C21 1.386(8) 2_547 ?
C24 O5 1.190(8) . ?
C24 O6 1.313(8) . ?
C24 C25 1.510(8) . ?
C25 C30 1.392(8) . ?
C25 C26 1.405(9) . ?
C26 C27 1.370(8) . ?
C27 C28 1.402(8) . ?
C28 C29 1.390(8) . ?
C28 C31 1.537(8) . ?
C29 C30 1.378(8) . ?
C31 O8 1.224(7) . ?
C31 O7 1.256(7) . ?
C32 O9 1.344(11) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 O10 1.395(9) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
N4 H4 0.8600 . ?
N5 Cd1 2.198(5) 2_657 ?
O6 H6 0.8200 . ?
O9 H9A 0.8200 . ?
O10 H10A 0.8200 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O6 H6 O9 0.82 1.71 2.514(8) 167.1 2_656
O10 H10A O8 0.82 2.02 2.675(7) 137.0 .
N4 H4 O7 0.86 1.84 2.696(6) 173.0 1_465
O9 H9A O10 0.82 1.85 2.639(9) 160.3 .
