#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/92/2209287.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2209287
loop_
_publ_author_name
'Chuan-Bi Li'
'Wei Fang'
'Guang-Gang Gao'
'Bo Liu'
_publ_section_title
;A cadmium coordination polymer containing helical chains:
 catena-poly[[(dipyrido[3,2-a:2',3'-c]phenazine)cadmium]-μ-benzene-1,3-dicarboxylato]
;
_journal_coeditor_code           RN6084
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1312
_journal_page_last               m1314
_journal_paper_doi               10.1107/S1600536806017442
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cd (C8 H4 O4) (C18 H10 N4)]'
_chemical_formula_moiety         'C26 H14 Cd N4 O4'
_chemical_formula_sum            'C26 H14 Cd N4 O4'
_chemical_formula_weight         558.82
_chemical_name_systematic
;
catena-poly[[(dipyrido[3,2-a:2',3'-c]phenazine)cadmium]-μ-
benzene-1,3-dicarboxylato]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 109.064(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.467(4)
_cell_length_b                   14.971(4)
_cell_length_c                   18.847(4)
_cell_measurement_reflns_used    69
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      19.8
_cell_measurement_theta_min      2.15
_cell_volume                     4124.8(18)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       'ω and φ'
_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  0.0241
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11009
_diffrn_reflns_theta_full        26.04
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         1.95
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 10
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.105
_exptl_absorpt_correction_T_max  0.734
_exptl_absorpt_correction_T_min  0.628
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.516
_refine_diff_density_min         -0.256
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4062
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0303
_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)+(0.0391P)²+2.2127P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0692
_refine_ls_wR_factor_ref         0.0748
_reflns_number_gt                3407
_reflns_number_total             4062
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            rn6084.cif
_cod_data_source_block           I
_cod_original_cell_volume        4124.9(18)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2209287
_cod_database_fobs_code          2209287
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
C C1 0.2559(2) 0.63410(19) 0.50384(17) 0.0410(7) Uani d . 1
H H1 0.2835 0.6756 0.5411 0.049 Uiso calc R 1
C C2 0.2878(2) 0.6233(2) 0.44349(17) 0.0469(7) Uani d . 1
H H2 0.3368 0.6574 0.4404 0.056 Uiso calc R 1
C C3 0.24648(19) 0.56174(19) 0.38802(15) 0.0394(6) Uani d . 1
H H3 0.2671 0.5553 0.3472 0.047 Uiso calc R 1
C C4 0.17432(18) 0.50944(18) 0.39281(14) 0.0338(6) Uani d . 1
C C5 0.14332(18) 0.52000(18) 0.45402(14) 0.0348(6) Uani d . 1
H H5 0.0958 0.4845 0.4581 0.042 Uiso calc R 1
C C6 0.18311(18) 0.58317(18) 0.50881(14) 0.0340(6) Uani d . 1
C C7 0.14512(18) 0.6021(2) 0.57134(15) 0.0368(6) Uani d . 1
C C8 0.12809(19) 0.44587(19) 0.33081(15) 0.0388(6) Uani d . 1
C C9 0.1929(2) 0.2200(2) 0.31890(17) 0.0509(8) Uani d . 1
H H9 0.2156 0.2743 0.3413 0.061 Uiso calc R 1
C C10 0.2276(2) 0.1421(2) 0.35747(19) 0.0552(9) Uani d . 1
H H10 0.2723 0.1442 0.4045 0.066 Uiso calc R 1
C C11 0.1945(2) 0.0621(2) 0.32496(17) 0.0499(8) Uani d . 1
H H11 0.2168 0.0089 0.3496 0.060 Uiso calc R 1
C C12 0.12694(18) 0.0610(2) 0.25425(15) 0.0377(6) Uani d . 1
C C13 0.09076(19) -0.02277(19) 0.21691(16) 0.0393(6) Uani d . 1
C C14 0.02456(19) -0.02138(19) 0.14408(16) 0.0401(7) Uani d . 1
C C15 -0.00986(19) 0.06475(19) 0.10857(15) 0.0388(6) Uani d . 1
C C16 -0.0776(2) 0.0706(2) 0.03883(17) 0.0498(8) Uani d . 1
H H16 -0.1021 0.0190 0.0124 0.060 Uiso calc R 1
C C17 -0.1079(2) 0.1529(2) 0.00926(19) 0.0555(9) Uani d . 1
H H17 -0.1539 0.1578 -0.0370 0.067 Uiso calc R 1
C C18 -0.0690(2) 0.2289(2) 0.04938(17) 0.0505(8) Uani d . 1
H H18 -0.0897 0.2845 0.0289 0.061 Uiso calc R 1
C C19 0.02554(19) 0.14464(18) 0.14523(15) 0.0351(6) Uani d . 1
C C20 0.09649(18) 0.14265(18) 0.21946(15) 0.0348(6) Uani d . 1
C C21 0.0910(2) -0.1732(2) 0.21590(19) 0.0468(7) Uani d . 1
C C22 0.1236(2) -0.2576(2) 0.2507(2) 0.0574(9) Uani d . 1
H H22 0.1642 -0.2591 0.2996 0.069 Uiso calc R 1
C C23 0.0958(3) -0.3350(2) 0.2128(3) 0.0677(11) Uani d . 1
H H23 0.1184 -0.3891 0.2357 0.081 Uiso calc R 1
C C24 0.0321(3) -0.3346(2) 0.1384(3) 0.0678(11) Uani d . 1
H H24 0.0146 -0.3881 0.1126 0.081 Uiso calc R 1
C C25 -0.0029(2) -0.2561(2) 0.1052(2) 0.0607(9) Uani d . 1
H H25 -0.0460 -0.2569 0.0573 0.073 Uiso calc R 1
C C26 0.0246(2) -0.1733(2) 0.14156(19) 0.0474(7) Uani d . 1
N N4 0.12244(17) -0.09854(18) 0.25286(14) 0.0470(6) Uani d . 1
N N3 -0.00852(17) -0.09627(17) 0.10691(14) 0.0479(6) Uani d . 1
N N2 -0.00352(16) 0.22555(16) 0.11577(13) 0.0399(5) Uani d . 1
N N1 0.12926(16) 0.22126(16) 0.25181(12) 0.0389(5) Uani d . 1
O O4 0.06776(15) 0.39469(16) 0.33827(12) 0.0570(6) Uani d . 1
O O3 0.15491(15) 0.44495(15) 0.27447(11) 0.0536(6) Uani d . 1
O O2 0.17604(16) 0.66786(15) 0.61290(12) 0.0569(6) Uani d . 1
O O1 0.08455(16) 0.55305(16) 0.58053(12) 0.0613(6) Uani d . 1
Cd Cd 0.078293(14) 0.353762(13) 0.181971(11) 0.03747(9) Uani d . 1
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C6 C1 C2 . . 120.3(3)
C6 C1 H1 . . 119.8
C2 C1 H1 . . 119.8
C3 C2 C1 . . 119.7(3)
C3 C2 H2 . . 120.2
C1 C2 H2 . . 120.2
C2 C3 C4 . . 120.6(3)
C2 C3 H3 . . 119.7
C4 C3 H3 . . 119.7
C3 C4 C5 . . 119.3(2)
C3 C4 C8 . . 119.8(2)
C5 C4 C8 . . 120.8(2)
C6 C5 C4 . . 120.3(3)
C6 C5 H5 . . 119.9
C4 C5 H5 . . 119.9
C5 C6 C1 . . 119.8(2)
C5 C6 C7 . . 121.3(2)
C1 C6 C7 . . 118.8(3)
O1 C7 O2 . . 121.8(3)
O1 C7 C6 . . 120.1(3)
O2 C7 C6 . . 118.1(3)
O1 C7 Cd . 6_566 62.68(14)
O2 C7 Cd . 6_566 59.18(15)
C6 C7 Cd . 6_566 176.7(2)
O4 C8 O3 . . 123.5(3)
O4 C8 C4 . . 119.1(2)
O3 C8 C4 . . 117.4(2)
N1 C9 C10 . . 123.5(3)
N1 C9 H9 . . 118.3
C10 C9 H9 . . 118.3
C11 C10 C9 . . 118.6(3)
C11 C10 H10 . . 120.7
C9 C10 H10 . . 120.7
C10 C11 C12 . . 119.4(3)
C10 C11 H11 . . 120.3
C12 C11 H11 . . 120.3
C20 C12 C11 . . 118.0(3)
C20 C12 C13 . . 120.7(3)
C11 C12 C13 . . 121.3(3)
N4 C13 C14 . . 122.3(3)
N4 C13 C12 . . 117.9(3)
C14 C13 C12 . . 119.8(2)
N3 C14 C13 . . 121.9(3)
N3 C14 C15 . . 118.6(3)
C13 C14 C15 . . 119.5(2)
C16 C15 C19 . . 117.7(3)
C16 C15 C14 . . 122.3(3)
C19 C15 C14 . . 120.0(3)
C17 C16 C15 . . 119.6(3)
C17 C16 H16 . . 120.2
C15 C16 H16 . . 120.2
C16 C17 C18 . . 119.0(3)
C16 C17 H17 . . 120.5
C18 C17 H17 . . 120.5
N2 C18 C17 . . 122.9(3)
N2 C18 H18 . . 118.5
C17 C18 H18 . . 118.5
N2 C19 C15 . . 122.7(3)
N2 C19 C20 . . 117.1(2)
C15 C19 C20 . . 120.2(2)
N1 C20 C12 . . 122.3(3)
N1 C20 C19 . . 117.8(2)
C12 C20 C19 . . 119.9(2)
N4 C21 C22 . . 119.2(3)
N4 C21 C26 . . 122.4(3)
C22 C21 C26 . . 118.4(3)
C23 C22 C21 . . 120.5(3)
C23 C22 H22 . . 119.8
C21 C22 H22 . . 119.8
C22 C23 C24 . . 120.8(3)
C22 C23 H23 . . 119.6
C24 C23 H23 . . 119.6
C25 C24 C23 . . 120.1(3)
C25 C24 H24 . . 120.0
C23 C24 H24 . . 120.0
C24 C25 C26 . . 121.6(4)
C24 C25 H25 . . 119.2
C26 C25 H25 . . 119.2
N3 C26 C25 . . 120.7(3)
N3 C26 C21 . . 120.6(3)
C25 C26 C21 . . 118.6(3)
C21 N4 C13 . . 116.2(3)
C14 N3 C26 . . 116.6(3)
C18 N2 C19 . . 118.1(3)
C18 N2 Cd . . 124.6(2)
C19 N2 Cd . . 117.04(18)
C9 N1 C20 . . 118.2(3)
C9 N1 Cd . . 123.4(2)
C20 N1 Cd . . 118.21(18)
C8 O4 Cd . 2 153.2(2)
C8 O3 Cd . . 115.40(18)
C7 O2 Cd . 6_566 93.20(17)
C7 O1 Cd . 6_566 89.76(17)
O3 Cd O4 . 2 102.35(9)
O3 Cd O2 . 6_565 104.32(8)
O4 Cd O2 2 6_565 138.24(8)
O3 Cd N1 . . 94.76(8)
O4 Cd N1 2 . 117.12(8)
O2 Cd N1 6_565 . 92.03(8)
O3 Cd O1 . 6_565 96.77(8)
O4 Cd O1 2 6_565 90.35(8)
O2 Cd O1 6_565 6_565 55.17(7)
N1 Cd O1 . 6_565 147.01(7)
O3 Cd N2 . . 161.55(8)
O4 Cd N2 2 . 78.51(8)
O2 Cd N2 6_565 . 85.79(8)
N1 Cd N2 . . 69.14(8)
O1 Cd N2 6_565 . 101.66(8)
O3 Cd C7 . 6_565 102.42(8)
O4 Cd C7 2 6_565 114.82(8)
O2 Cd C7 6_565 6_565 27.63(8)
N1 Cd C7 . 6_565 119.54(8)
O1 Cd C7 6_565 6_565 27.55(8)
N2 Cd C7 . 6_565 93.66(8)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 C6 . 1.388(4)
C1 C2 . 1.389(4)
C1 H1 . 0.9300
C2 C3 . 1.384(4)
C2 H2 . 0.9300
C3 C4 . 1.390(4)
C3 H3 . 0.9300
C4 C5 . 1.395(4)
C4 C8 . 1.496(4)
C5 C6 . 1.387(4)
C5 H5 . 0.9300
C6 C7 . 1.506(4)
C7 O1 . 1.246(3)
C7 O2 . 1.251(3)
C7 Cd 6_566 2.695(3)
C8 O4 . 1.250(3)
C8 O3 . 1.260(3)
C9 N1 . 1.325(4)
C9 C10 . 1.386(4)
C9 H9 . 0.9300
C10 C11 . 1.366(5)
C10 H10 . 0.9300
C11 C12 . 1.400(4)
C11 H11 . 0.9300
C12 C20 . 1.395(4)
C12 C13 . 1.457(4)
C13 N4 . 1.330(4)
C13 C14 . 1.419(4)
C14 N3 . 1.332(4)
C14 C15 . 1.470(4)
C15 C16 . 1.390(4)
C15 C19 . 1.400(4)
C16 C17 . 1.370(4)
C16 H16 . 0.9300
C17 C18 . 1.389(4)
C17 H17 . 0.9300
C18 N2 . 1.329(4)
C18 H18 . 0.9300
C19 N2 . 1.347(3)
C19 C20 . 1.470(4)
C20 N1 . 1.346(3)
C21 N4 . 1.323(4)
C21 C22 . 1.438(4)
C21 C26 . 1.442(5)
C22 C23 . 1.356(5)
C22 H22 . 0.9300
C23 C24 . 1.427(6)
C23 H23 . 0.9300
C24 C25 . 1.358(5)
C24 H24 . 0.9300
C25 C26 . 1.413(4)
C25 H25 . 0.9300
C26 N3 . 1.342(4)
N2 Cd . 2.411(2)
N1 Cd . 2.369(2)
O4 Cd 2 2.250(2)
O3 Cd . 2.227(2)
O2 Cd 6_566 2.318(2)
O1 Cd 6_566 2.394(2)
Cd O4 2 2.250(2)
Cd O2 6_565 2.318(2)
Cd O1 6_565 2.394(2)
Cd C7 6_565 2.695(3)
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_4
_geom_torsion
C6 C1 C2 C3 . 0.2(5)
C1 C2 C3 C4 . -1.1(5)
C2 C3 C4 C5 . 0.4(4)
C2 C3 C4 C8 . 177.6(3)
C3 C4 C5 C6 . 1.1(4)
C8 C4 C5 C6 . -176.0(2)
C4 C5 C6 C1 . -2.0(4)
C4 C5 C6 C7 . 174.0(2)
C2 C1 C6 C5 . 1.3(4)
C2 C1 C6 C7 . -174.8(3)
C5 C6 C7 O1 . 9.5(4)
C1 C6 C7 O1 . -174.5(3)
C5 C6 C7 O2 . -170.4(3)
C1 C6 C7 O2 . 5.6(4)
C3 C4 C8 O4 . 174.9(3)
C5 C4 C8 O4 . -8.0(4)
C3 C4 C8 O3 . -2.7(4)
C5 C4 C8 O3 . 174.4(3)
N1 C9 C10 C11 . -0.1(5)
C9 C10 C11 C12 . -0.2(5)
C10 C11 C12 C20 . 0.5(4)
C10 C11 C12 C13 . 179.0(3)
C20 C12 C13 N4 . 180.0(3)
C11 C12 C13 N4 . 1.5(4)
C20 C12 C13 C14 . 0.7(4)
C11 C12 C13 C14 . -177.8(3)
N4 C13 C14 N3 . -1.2(4)
C12 C13 C14 N3 . 178.1(3)
N4 C13 C14 C15 . 177.9(3)
C12 C13 C14 C15 . -2.8(4)
N3 C14 C15 C16 . 2.1(4)
C13 C14 C15 C16 . -177.1(3)
N3 C14 C15 C19 . -178.1(3)
C13 C14 C15 C19 . 2.7(4)
C19 C15 C16 C17 . -1.0(4)
C14 C15 C16 C17 . 178.9(3)
C15 C16 C17 C18 . 1.1(5)
C16 C17 C18 N2 . -0.3(5)
C16 C15 C19 N2 . 0.2(4)
C14 C15 C19 N2 . -179.6(2)
C16 C15 C19 C20 . 179.3(3)
C14 C15 C19 C20 . -0.5(4)
C11 C12 C20 N1 . -0.6(4)
C13 C12 C20 N1 . -179.1(2)
C11 C12 C20 C19 . -179.9(2)
C13 C12 C20 C19 . 1.5(4)
N2 C19 C20 N1 . -1.9(4)
C15 C19 C20 N1 . 179.0(2)
N2 C19 C20 C12 . 177.5(2)
C15 C19 C20 C12 . -1.6(4)
N4 C21 C22 C23 . -177.0(3)
C26 C21 C22 C23 . 3.2(5)
C21 C22 C23 C24 . -1.3(6)
C22 C23 C24 C25 . -1.5(7)
C23 C24 C25 C26 . 2.3(6)
C24 C25 C26 N3 . 177.8(3)
C24 C25 C26 C21 . -0.4(5)
N4 C21 C26 N3 . -0.4(5)
C22 C21 C26 N3 . 179.5(3)
N4 C21 C26 C25 . 177.8(3)
C22 C21 C26 C25 . -2.3(5)
C22 C21 N4 C13 . 178.8(3)
C26 C21 N4 C13 . -1.4(4)
C14 C13 N4 C21 . 2.2(4)
C12 C13 N4 C21 . -177.1(2)
C13 C14 N3 C26 . -0.6(4)
C15 C14 N3 C26 . -179.8(3)
C25 C26 N3 C14 . -176.8(3)
C21 C26 N3 C14 . 1.3(4)
C17 C18 N2 C19 . -0.5(5)
C17 C18 N2 Cd . 173.0(3)
C15 C19 N2 C18 . 0.5(4)
C20 C19 N2 C18 . -178.6(2)
C15 C19 N2 Cd . -173.4(2)
C20 C19 N2 Cd . 7.5(3)
C10 C9 N1 C20 . 0.0(4)
C10 C9 N1 Cd . -175.2(2)
C12 C20 N1 C9 . 0.3(4)
C19 C20 N1 C9 . 179.7(2)
C12 C20 N1 Cd . 175.75(19)
C19 C20 N1 Cd . -4.9(3)
O3 C8 O4 Cd 2 -82.5(5)
C4 C8 O4 Cd 2 100.1(4)
O4 C8 O3 Cd . 5.5(4)
C4 C8 O3 Cd . -177.01(18)
O1 C7 O2 Cd 6_566 -2.1(3)
C6 C7 O2 Cd 6_566 177.8(2)
O2 C7 O1 Cd 6_566 2.1(3)
C6 C7 O1 Cd 6_566 -177.9(2)
C8 O3 Cd O4 2 52.2(2)
C8 O3 Cd O2 6_565 -160.2(2)
C8 O3 Cd N1 . -66.9(2)
C8 O3 Cd O1 6_565 144.1(2)
C8 O3 Cd N2 . -38.5(4)
C8 O3 Cd C7 6_565 171.4(2)
C9 N1 Cd O3 . -7.9(2)
C20 N1 Cd O3 . 176.90(19)
C9 N1 Cd O4 2 -114.4(2)
C20 N1 Cd O4 2 70.4(2)
C9 N1 Cd O2 6_565 96.7(2)
C20 N1 Cd O2 6_565 -78.5(2)
C9 N1 Cd O1 6_565 102.3(2)
C20 N1 Cd O1 6_565 -72.9(3)
C9 N1 Cd N2 . -178.6(2)
C20 N1 Cd N2 . 6.17(18)
C9 N1 Cd C7 6_565 99.3(2)
C20 N1 Cd C7 6_565 -75.9(2)
C18 N2 Cd O3 . 148.9(3)
C19 N2 Cd O3 . -37.6(4)
C18 N2 Cd O4 2 54.3(2)
C19 N2 Cd O4 2 -132.2(2)
C18 N2 Cd O2 6_565 -86.8(2)
C19 N2 Cd O2 6_565 86.65(19)
C18 N2 Cd N1 . 179.4(2)
C19 N2 Cd N1 . -7.13(18)
C18 N2 Cd O1 6_565 -33.7(2)
C19 N2 Cd O1 6_565 139.79(19)
C18 N2 Cd C7 6_565 -60.3(2)
C19 N2 Cd C7 6_565 113.2(2)
