#------------------------------------------------------------------------------
#$Date: 2016-03-05 11:04:08 +0200 (Sat, 05 Mar 2016) $
#$Revision: 177747 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/41/7224129.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_7224129
loop_
_publ_author_name
'Pal, Sanchari'
'Pal, Tapan K.'
'Bharadwaj, Parimal K.'
_publ_section_title
;
 Solvothermal synthesis of coordination polymers at different temperatures
 and their luminescence studies
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              1825
_journal_paper_doi               10.1039/C5CE02540K
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C30 H29 Cd N3 O8'
_chemical_formula_sum            'C30 H29 Cd N3 O8'
_chemical_formula_weight         671.96
_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
_audit_update_record
;
2015-11-19 deposited with the CCDC.
2016-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                84.836(5)
_cell_angle_beta                 73.449(5)
_cell_angle_gamma                84.180(5)
_cell_formula_units_Z            2
_cell_length_a                   9.502(5)
_cell_length_b                   11.646(5)
_cell_length_c                   13.277(5)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      2.24
_cell_volume                     1398.2(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'BRUKER SMART APEX'
_diffrn_measurement_method       /w-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  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0469
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7529
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    0.838
_exptl_absorpt_correction_T_max  0.9061
_exptl_absorpt_correction_T_min  0.8775
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.833
_refine_diff_density_min         -0.524
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         5030
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0434
_refine_ls_R_factor_gt           0.0385
_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)+(0.0411P)²+2.8745P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0948
_refine_ls_wR_factor_ref         0.1016
_reflns_number_gt                4576
_reflns_number_total             5030
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce02540k2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7224126--7224131.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7224129
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 0.0455(4) 0.4715(3) 0.3002(3) 0.0196(7) Uani 1 1 d .
H1B H -0.0081 0.4740 0.3706 0.024 Uiso 1 1 calc R
C2 C -0.0286(4) 0.5003(3) 0.2240(3) 0.0197(8) Uani 1 1 d .
H2B H -0.1285 0.5243 0.2429 0.024 Uiso 1 1 calc R
C3 C 0.0498(4) 0.4923(3) 0.1195(3) 0.0192(7) Uani 1 1 d .
C4 C 0.2006(4) 0.4622(3) 0.0951(3) 0.0232(8) Uani 1 1 d .
H4B H 0.2567 0.4585 0.0253 0.028 Uiso 1 1 calc R
C5 C 0.2656(4) 0.4380(3) 0.1756(3) 0.0242(8) Uani 1 1 d .
H5B H 0.3667 0.4191 0.1587 0.029 Uiso 1 1 calc R
C6 C 0.9006(4) -0.2989(3) 0.4137(3) 0.0220(8) Uani 1 1 d .
C7 C 0.9742(4) -0.2204(3) 0.3214(3) 0.0214(8) Uani 1 1 d .
C8 C 0.8893(4) -0.1495(3) 0.2669(3) 0.0224(8) Uani 1 1 d .
H8 H 0.7879 -0.1536 0.2855 0.027 Uiso 1 1 calc R
C9 C 0.9555(4) -0.0729(3) 0.1853(3) 0.0212(8) Uani 1 1 d .
H9 H 0.8975 -0.0250 0.1505 0.025 Uiso 1 1 calc R
C10 C 1.1062(4) -0.0665(3) 0.1546(3) 0.0197(8) Uani 1 1 d .
C11 C 1.1915(4) -0.1404(3) 0.2089(3) 0.0237(8) Uani 1 1 d .
H11 H 1.2934 -0.1384 0.1890 0.028 Uiso 1 1 calc R
C12 C 1.1256(4) -0.2155(3) 0.2911(3) 0.0236(8) Uani 1 1 d .
H12 H 1.1831 -0.2632 0.3264 0.028 Uiso 1 1 calc R
C13 C 0.6088(4) 0.3457(3) 0.3220(3) 0.0180(7) Uani 1 1 d .
C14 C 0.7501(4) 0.2937(3) 0.2514(3) 0.0175(7) Uani 1 1 d .
C15 C 0.7703(4) 0.2963(3) 0.1436(3) 0.0189(7) Uani 1 1 d .
H7A H 0.6984 0.3340 0.1147 0.023 Uiso 1 1 calc R
C16 C 0.8959(4) 0.2435(3) 0.0787(3) 0.0198(8) Uani 1 1 d .
H6A H 0.9072 0.2462 0.0067 0.024 Uiso 1 1 calc R
C17 C 1.0065(4) 0.1860(3) 0.1190(3) 0.0192(7) Uani 1 1 d .
C18 C 0.9868(4) 0.1871(3) 0.2279(3) 0.0224(8) Uani 1 1 d .
H4A H 1.0600 0.1514 0.2567 0.027 Uiso 1 1 calc R
C19 C 0.8618(4) 0.2395(3) 0.2932(3) 0.0196(7) Uani 1 1 d .
H3A H 0.8513 0.2390 0.3650 0.023 Uiso 1 1 calc R
C20 C 1.1381(4) 0.1277(3) 0.0474(3) 0.0187(7) Uani 1 1 d .
C21 C 1.2209(4) 0.1925(3) -0.0401(3) 0.0206(8) Uani 1 1 d .
H13A H 1.1902 0.2697 -0.0520 0.025 Uiso 1 1 calc R
C22 C 1.3465(4) 0.1444(3) -0.1088(3) 0.0205(8) Uani 1 1 d .
C23 C 1.3894(4) 0.0260(3) -0.0939(3) 0.0199(8) Uani 1 1 d .
C24 C 1.3080(4) -0.0376(3) -0.0081(3) 0.0199(8) Uani 1 1 d .
H10A H 1.3369 -0.1155 0.0020 0.024 Uiso 1 1 calc R
C25 C 1.1838(4) 0.0111(3) 0.0642(3) 0.0202(8) Uani 1 1 d .
C26 C 1.4010(5) 0.3219(3) -0.2121(4) 0.0347(10) Uani 1 1 d .
H14A H 1.4721 0.3509 -0.2738 0.052 Uiso 1 1 calc R
H14B H 1.4027 0.3623 -0.1526 0.052 Uiso 1 1 calc R
H14C H 1.3046 0.3338 -0.2227 0.052 Uiso 1 1 calc R
C27 C 1.5619(4) -0.1348(3) -0.1470(3) 0.0270(9) Uani 1 1 d .
H15A H 1.6475 -0.1559 -0.2029 0.040 Uiso 1 1 calc R
H15B H 1.4857 -0.1843 -0.1439 0.040 Uiso 1 1 calc R
H15C H 1.5865 -0.1432 -0.0813 0.040 Uiso 1 1 calc R
C28 C 0.3791(7) 0.1074(4) 0.3885(4) 0.0510(13) Uani 1 1 d D
H1D H 0.4801 0.1118 0.3607 0.061 Uiso 1 1 calc R
C29 C 0.1736(8) -0.0064(6) 0.4720(5) 0.076(2) Uani 1 1 d .
H2D1 H 0.1568 -0.0851 0.4973 0.113 Uiso 1 1 calc R
H2D2 H 0.1249 0.0156 0.4182 0.113 Uiso 1 1 calc R
H2D3 H 0.1352 0.0432 0.5292 0.113 Uiso 1 1 calc R
C30 C 0.4295(9) -0.0988(5) 0.4214(5) 0.081(2) Uani 1 1 d .
H3D1 H 0.3749 -0.1636 0.4543 0.121 Uiso 1 1 calc R
H3D2 H 0.5029 -0.0897 0.4564 0.121 Uiso 1 1 calc R
H3D3 H 0.4765 -0.1118 0.3487 0.121 Uiso 1 1 calc R
N1 N 0.3311(6) 0.0042(4) 0.4287(3) 0.0553(12) Uani 1 1 d .
N2 N 0.1894(3) 0.4406(3) 0.2775(2) 0.0183(6) Uani 1 1 d .
N3 N -0.0328(3) 0.5188(3) 0.0439(2) 0.0210(6) Uani 1 1 d .
O1 O 0.9700(3) -0.3430(2) 0.4776(2) 0.0232(6) Uani 1 1 d .
O2 O 0.7679(3) -0.3173(2) 0.4232(2) 0.0286(6) Uani 1 1 d .
O1W O 0.2633(4) 0.5813(2) 0.4545(2) 0.0232(6) Uani 1 1 d .
O3 O 0.5127(3) 0.3894(3) 0.2777(2) 0.0288(6) Uani 1 1 d .
O4 O 0.5891(3) 0.3415(2) 0.4191(2) 0.0253(6) Uani 1 1 d .
O5 O 1.5111(3) -0.0172(2) -0.1661(2) 0.0246(6) Uani 1 1 d .
O6 O 1.4362(3) 0.2012(2) -0.1933(2) 0.0257(6) Uani 1 1 d .
O7 O 0.2990(4) 0.1964(3) 0.3859(3) 0.0480(9) Uani 1 1 d D
Cd1 Cd 0.30454(3) 0.39236(2) 0.412100(19) 0.01857(10) Uani 1 1 d .
H1W H 0.299(6) 0.605(5) 0.489(4) 0.049(18) Uiso 1 1 d .
H2W H 0.189(7) 0.615(5) 0.455(5) 0.06(2) 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'
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
N2 C1 C2 123.3(3) . .
N2 C1 H1B 118.3 . .
C2 C1 H1B 118.3 . .
C3 C2 C1 118.3(3) . .
C3 C2 H2B 120.8 . .
C1 C2 H2B 120.8 . .
C2 C3 C4 118.7(3) . .
C2 C3 N3 116.3(3) . .
C4 C3 N3 125.1(3) . .
C5 C4 C3 119.0(3) . .
C5 C4 H4B 120.5 . .
C3 C4 H4B 120.5 . .
N2 C5 C4 122.8(3) . .
N2 C5 H5B 118.6 . .
C4 C5 H5B 118.6 . .
O1 C6 O2 122.8(3) . .
O1 C6 C7 120.3(3) . .
O2 C6 C7 116.9(3) . .
C12 C7 C8 119.2(3) . .
C12 C7 C6 120.9(3) . .
C8 C7 C6 119.9(3) . .
C9 C8 C7 120.3(3) . .
C9 C8 H8 119.9 . .
C7 C8 H8 119.9 . .
C10 C9 C8 121.2(3) . .
C10 C9 H9 119.4 . .
C8 C9 H9 119.4 . .
C9 C10 C11 118.1(3) . .
C9 C10 C25 123.3(3) . .
C11 C10 C25 118.5(3) . .
C12 C11 C10 120.8(3) . .
C12 C11 H11 119.6 . .
C10 C11 H11 119.6 . .
C11 C12 C7 120.5(3) . .
C11 C12 H12 119.8 . .
C7 C12 H12 119.8 . .
O4 C13 O3 123.1(3) . .
O4 C13 C14 120.4(3) . .
O3 C13 C14 116.5(3) . .
C15 C14 C19 118.8(3) . .
C15 C14 C13 120.2(3) . .
C19 C14 C13 121.0(3) . .
C16 C15 C14 120.7(3) . .
C16 C15 H7A 119.6 . .
C14 C15 H7A 119.6 . .
C15 C16 C17 121.4(3) . .
C15 C16 H6A 119.3 . .
C17 C16 H6A 119.3 . .
C16 C17 C18 117.3(3) . .
C16 C17 C20 119.9(3) . .
C18 C17 C20 122.7(3) . .
C19 C18 C17 121.6(3) . .
C19 C18 H4A 119.2 . .
C17 C18 H4A 119.2 . .
C18 C19 C14 120.1(3) . .
C18 C19 H3A 120.0 . .
C14 C19 H3A 120.0 . .
C25 C20 C21 118.9(3) . .
C25 C20 C17 122.5(3) . .
C21 C20 C17 118.5(3) . .
C22 C21 C20 121.6(3) . .
C22 C21 H13A 119.2 . .
C20 C21 H13A 119.2 . .
O6 C22 C21 125.8(3) . .
O6 C22 C23 114.9(3) . .
C21 C22 C23 119.3(3) . .
O5 C23 C24 124.5(3) . .
O5 C23 C22 116.5(3) . .
C24 C23 C22 118.9(3) . .
C23 C24 C25 122.3(3) . .
C23 C24 H10A 118.9 . .
C25 C24 H10A 118.9 . .
C24 C25 C20 118.8(3) . .
C24 C25 C10 117.1(3) . .
C20 C25 C10 124.1(3) . .
O6 C26 H14A 109.5 . .
O6 C26 H14B 109.5 . .
H14A C26 H14B 109.5 . .
O6 C26 H14C 109.5 . .
H14A C26 H14C 109.5 . .
H14B C26 H14C 109.5 . .
O5 C27 H15A 109.5 . .
O5 C27 H15B 109.5 . .
H15A C27 H15B 109.5 . .
O5 C27 H15C 109.5 . .
H15A C27 H15C 109.5 . .
H15B C27 H15C 109.5 . .
O7 C28 N1 124.5(6) . .
O7 C28 H1D 117.7 . .
N1 C28 H1D 117.7 . .
N1 C29 H2D1 109.5 . .
N1 C29 H2D2 109.5 . .
H2D1 C29 H2D2 109.5 . .
N1 C29 H2D3 109.5 . .
H2D1 C29 H2D3 109.5 . .
H2D2 C29 H2D3 109.5 . .
N1 C30 H3D1 109.5 . .
N1 C30 H3D2 109.5 . .
H3D1 C30 H3D2 109.5 . .
N1 C30 H3D3 109.5 . .
H3D1 C30 H3D3 109.5 . .
H3D2 C30 H3D3 109.5 . .
C28 N1 C30 121.8(6) . .
C28 N1 C29 119.3(5) . .
C30 N1 C29 118.6(5) . .
C1 N2 C5 117.7(3) . .
C1 N2 Cd1 120.8(2) . .
C5 N2 Cd1 121.4(2) . .
N3 N3 C3 112.6(4) 2_565 .
C6 O2 Cd1 102.2(2) . 2_656
Cd1 O1W H1W 123(4) . .
Cd1 O1W H2W 120(5) . .
H1W O1W H2W 112(6) . .
C13 O3 Cd1 102.5(2) . .
C23 O5 C27 116.8(3) . .
C22 O6 C26 118.0(3) . .
C28 O7 Cd1 136.6(4) . .
O2 Cd1 O3 137.43(10) 2_656 .
O2 Cd1 O1W 95.73(11) 2_656 .
O3 Cd1 O1W 104.03(11) . .
O2 Cd1 O7 78.42(11) 2_656 .
O3 Cd1 O7 86.36(12) . .
O1W Cd1 O7 169.02(12) . .
O2 Cd1 N2 134.64(10) 2_656 .
O3 Cd1 N2 83.65(10) . .
O1W Cd1 N2 89.03(11) . .
O7 Cd1 N2 88.61(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N2 1.333(5) .
C1 C2 1.388(5) .
C1 H1B 0.9300 .
C2 C3 1.382(5) .
C2 H2B 0.9300 .
C3 C4 1.392(5) .
C3 N3 1.437(4) .
C4 C5 1.375(5) .
C4 H4B 0.9300 .
C5 N2 1.343(5) .
C5 H5B 0.9300 .
C6 O1 1.262(4) .
C6 O2 1.269(5) .
C6 C7 1.505(5) .
C7 C12 1.384(5) .
C7 C8 1.395(5) .
C8 C9 1.384(5) .
C8 H8 0.9300 .
C9 C10 1.380(5) .
C9 H9 0.9300 .
C10 C11 1.414(5) .
C10 C25 1.495(5) .
C11 C12 1.377(5) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 O4 1.247(4) .
C13 O3 1.263(4) .
C13 C14 1.507(5) .
C14 C15 1.386(5) .
C14 C19 1.403(5) .
C15 C16 1.380(5) .
C15 H7A 0.9300 .
C16 C17 1.397(5) .
C16 H6A 0.9300 .
C17 C18 1.405(5) .
C17 C20 1.482(5) .
C18 C19 1.377(5) .
C18 H4A 0.9300 .
C19 H3A 0.9300 .
C20 C25 1.401(5) .
C20 C21 1.407(5) .
C21 C22 1.381(5) .
C21 H13A 0.9300 .
C22 O6 1.363(4) .
C22 C23 1.410(5) .
C23 O5 1.359(4) .
C23 C24 1.381(5) .
C24 C25 1.397(5) .
C24 H10A 0.9300 .
C26 O6 1.429(5) .
C26 H14A 0.9600 .
C26 H14B 0.9600 .
C26 H14C 0.9600 .
C27 O5 1.431(4) .
C27 H15A 0.9600 .
C27 H15B 0.9600 .
C27 H15C 0.9600 .
C28 O7 1.226(6) .
C28 N1 1.339(7) .
C28 H1D 0.9300 .
C29 N1 1.457(8) .
C29 H2D1 0.9600 .
C29 H2D2 0.9600 .
C29 H2D3 0.9600 .
C30 N1 1.436(7) .
C30 H3D1 0.9600 .
C30 H3D2 0.9600 .
C30 H3D3 0.9600 .
N2 Cd1 2.348(3) .
N3 N3 1.249(6) 2_565
O2 Cd1 2.223(3) 2_656
O1W Cd1 2.287(3) .
O1W H1W 0.74(6) .
O1W H2W 0.77(6) .
O3 Cd1 2.255(3) .
O7 Cd1 2.347(3) .
Cd1 O2 2.223(3) 2_656
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
_geom_torsion_site_symmetry_4
N2 C1 C2 C3 2.5(5) .
C1 C2 C3 C4 -3.5(5) .
C1 C2 C3 N3 177.7(3) .
C2 C3 C4 C5 1.9(6) .
N3 C3 C4 C5 -179.5(3) .
C3 C4 C5 N2 1.0(6) .
O1 C6 C7 C12 14.6(6) .
O2 C6 C7 C12 -165.5(4) .
O1 C6 C7 C8 -163.9(4) .
O2 C6 C7 C8 16.0(5) .
C12 C7 C8 C9 -1.7(6) .
C6 C7 C8 C9 176.8(3) .
C7 C8 C9 C10 1.3(6) .
C8 C9 C10 C11 0.0(6) .
C8 C9 C10 C25 177.5(4) .
C9 C10 C11 C12 -0.9(6) .
C25 C10 C11 C12 -178.5(4) .
C10 C11 C12 C7 0.4(6) .
C8 C7 C12 C11 0.8(6) .
C6 C7 C12 C11 -177.7(4) .
O4 C13 C14 C15 178.6(3) .
O3 C13 C14 C15 0.6(5) .
O4 C13 C14 C19 0.2(5) .
O3 C13 C14 C19 -177.8(3) .
C19 C14 C15 C16 1.9(5) .
C13 C14 C15 C16 -176.5(3) .
C14 C15 C16 C17 -0.1(5) .
C15 C16 C17 C18 -1.8(5) .
C15 C16 C17 C20 178.4(3) .
C16 C17 C18 C19 1.9(5) .
C20 C17 C18 C19 -178.4(3) .
C17 C18 C19 C14 0.0(6) .
C15 C14 C19 C18 -1.9(5) .
C13 C14 C19 C18 176.5(3) .
C16 C17 C20 C25 -125.9(4) .
C18 C17 C20 C25 54.3(5) .
C16 C17 C20 C21 54.7(5) .
C18 C17 C20 C21 -125.0(4) .
C25 C20 C21 C22 -0.8(5) .
C17 C20 C21 C22 178.6(3) .
C20 C21 C22 O6 -177.6(3) .
C20 C21 C22 C23 3.0(5) .
O6 C22 C23 O5 -1.6(5) .
C21 C22 C23 O5 177.8(3) .
O6 C22 C23 C24 177.7(3) .
C21 C22 C23 C24 -2.8(5) .
O5 C23 C24 C25 179.8(3) .
C22 C23 C24 C25 0.5(5) .
C23 C24 C25 C20 1.7(5) .
C23 C24 C25 C10 -179.3(3) .
C21 C20 C25 C24 -1.6(5) .
C17 C20 C25 C24 179.1(3) .
C21 C20 C25 C10 179.5(3) .
C17 C20 C25 C10 0.2(6) .
C9 C10 C25 C24 -132.4(4) .
C11 C10 C25 C24 45.0(5) .
C9 C10 C25 C20 46.5(6) .
C11 C10 C25 C20 -136.0(4) .
O7 C28 N1 C30 174.6(5) .
O7 C28 N1 C29 0.6(8) .
C2 C1 N2 C5 0.4(5) .
C2 C1 N2 Cd1 -179.6(3) .
C4 C5 N2 C1 -2.1(6) .
C4 C5 N2 Cd1 177.9(3) .
C2 C3 N3 N3 -162.1(4) 2_565
C4 C3 N3 N3 19.3(6) 2_565
O1 C6 O2 Cd1 15.1(4) 2_656
C7 C6 O2 Cd1 -164.8(3) 2_656
O4 C13 O3 Cd1 -18.1(4) .
C14 C13 O3 Cd1 159.8(3) .
C24 C23 O5 C27 -4.0(5) .
C22 C23 O5 C27 175.3(3) .
C21 C22 O6 C26 1.8(6) .
C23 C22 O6 C26 -178.8(4) .
N1 C28 O7 Cd1 140.0(5) .
C13 O3 Cd1 O2 -12.4(3) 2_656
C13 O3 Cd1 O1W 102.7(2) .
C13 O3 Cd1 O7 -80.9(2) .
C13 O3 Cd1 N2 -169.9(2) .
C28 O7 Cd1 O2 -79.8(5) 2_656
C28 O7 Cd1 O3 60.3(5) .
C28 O7 Cd1 O1W -138.3(6) .
C28 O7 Cd1 N2 144.0(5) .
C1 N2 Cd1 O2 29.0(3) 2_656
C5 N2 Cd1 O2 -151.0(3) 2_656
C1 N2 Cd1 O3 -172.3(3) .
C5 N2 Cd1 O3 7.7(3) .
C1 N2 Cd1 O1W -68.1(3) .
C5 N2 Cd1 O1W 111.9(3) .
C1 N2 Cd1 O7 101.2(3) .
C5 N2 Cd1 O7 -78.8(3) .
