#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:59:10 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180525 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/94/7219460.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_7219460
loop_
_publ_author_name
'Hao, Jin-ming'
'Yu, Bao-yi'
'Van Hecke, Kristof'
'Cui, Guang-hua'
_publ_section_title
;
 A series of d10metal coordination polymers based on a flexible
 bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis,
 structures, photoluminescence and catalytic properties
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2279
_journal_paper_doi               10.1039/C4CE02090A
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C27 H25 Cd N5 O7'
_chemical_formula_weight         643.92
_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
;
2015-01-19 deposited with the CCDC.
2015-01-30 downloaded from the CCDC.
;
_cell_angle_alpha                98.983(3)
_cell_angle_beta                 101.005(2)
_cell_angle_gamma                115.316(3)
_cell_formula_units_Z            2
_cell_length_a                   10.931(2)
_cell_length_b                   11.727(2)
_cell_length_c                   11.928(2)
_cell_measurement_reflns_used    2013
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.32
_cell_measurement_theta_min      4.32
_cell_volume                     1307.1(4)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL  (Bruker, 1999)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0457
_diffrn_reflns_av_sigmaI/netI    0.1277
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7790
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    0.892
_exptl_absorpt_correction_T_max  0.9126
_exptl_absorpt_correction_T_min  0.8416
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.632
_refine_diff_density_min         -0.767
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         5588
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.974
_refine_ls_R_factor_all          0.1119
_refine_ls_R_factor_gt           0.0624
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0712P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1268
_refine_ls_wR_factor_ref         0.1644
_reflns_number_gt                3389
_reflns_number_total             5588
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce02090a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7219459--7219464.cif.'
_cod_database_code               7219460
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 0.03964(6) 0.34130(5) 0.82398(5) 0.03202(18) Uani 1 1 d .
O1W O 0.0419(6) 0.5481(5) 0.8586(5) 0.0383(12) Uani 1 1 d D
H1WB H 0.117(4) 0.621(3) 0.886(5) 0.03(2) Uiso 1 1 d D
O1 O 0.2967(5) 0.4898(5) 0.9330(4) 0.0432(13) Uani 1 1 d .
N1 N 0.5270(7) 0.8939(6) 1.3611(6) 0.0442(16) Uani 1 1 d .
C1 C 0.4965(8) 0.7596(7) 1.3062(6) 0.0357(17) Uani 1 1 d .
O2 O 0.1375(5) 0.4145(4) 1.0325(4) 0.0369(12) Uani 1 1 d .
N2 N 0.0903(6) 0.3805(5) 0.6525(5) 0.0313(13) Uani 1 1 d .
C2 C 0.5910(8) 0.7191(8) 1.3518(7) 0.047(2) Uani 1 1 d .
H2 H 0.6661 0.7720 1.4194 0.056 Uiso 1 1 calc R
O3 O 0.2415(6) 0.7316(5) 1.0612(5) 0.0496(14) Uani 1 1 d .
N3 N 0.0725(6) 0.3576(5) 0.4630(5) 0.0331(14) Uani 1 1 d .
C3 C 0.5731(8) 0.5989(9) 1.2961(7) 0.055(2) Uani 1 1 d .
H3 H 0.6316 0.5666 1.3289 0.066 Uiso 1 1 calc R
O4 O 0.4775(6) 0.9488(5) 1.3030(5) 0.0597(16) Uani 1 1 d .
C4 C 0.4680(8) 0.5272(7) 1.1915(7) 0.0433(19) Uani 1 1 d .
H4A H 0.4602 0.4488 1.1508 0.052 Uiso 1 1 calc R
N4 N -0.0324(6) -0.1403(5) 0.1718(5) 0.0337(14) Uani 1 1 d .
N5 N 0.0464(6) 0.0678(5) 0.1665(5) 0.0337(14) Uani 1 1 d .
C5 C 0.3735(7) 0.5691(7) 1.1455(6) 0.0316(16) Uani 1 1 d .
O5 O 0.6055(7) 0.9481(6) 1.4621(5) 0.0672(18) Uani 1 1 d .
C6 C 0.3824(7) 0.6852(6) 1.2055(6) 0.0280(15) Uani 1 1 d .
O6 O 0.1942(5) 0.7171(5) 1.2307(4) 0.0403(12) Uani 1 1 d .
C7 C 0.2639(7) 0.7165(6) 1.1617(6) 0.0323(16) Uani 1 1 d .
C8 C 0.2614(7) 0.4848(6) 1.0287(7) 0.0340(17) Uani 1 1 d .
C9 C 0.0376(7) 0.2985(6) 0.5462(6) 0.0329(16) Uani 1 1 d .
C10 C 0.1588(7) 0.4901(6) 0.5181(6) 0.0319(16) Uani 1 1 d .
C11 C 0.2273(8) 0.5962(7) 0.4700(7) 0.045(2) Uani 1 1 d .
H11 H 0.2179 0.5845 0.3893 0.054 Uiso 1 1 calc R
C12 C 0.3090(9) 0.7182(8) 0.5513(7) 0.054(2) Uani 1 1 d .
H12 H 0.3551 0.7920 0.5257 0.065 Uiso 1 1 calc R
C13 C 0.3218(9) 0.7295(7) 0.6765(7) 0.050(2) Uani 1 1 d .
H13 H 0.3774 0.8113 0.7307 0.060 Uiso 1 1 calc R
C14 C 0.2566(8) 0.6268(7) 0.7152(7) 0.0427(19) Uani 1 1 d .
H14 H 0.2678 0.6358 0.7958 0.051 Uiso 1 1 calc R
C15 C 0.1713(7) 0.5055(6) 0.6344(6) 0.0294(15) Uani 1 1 d .
C16 C -0.0536(9) 0.1538(7) 0.5234(7) 0.057(2) Uani 1 1 d .
H16A H -0.1496 0.1354 0.5163 0.085 Uiso 1 1 calc R
H16B H -0.0206 0.1249 0.5881 0.085 Uiso 1 1 calc R
H16C H -0.0488 0.1087 0.4513 0.085 Uiso 1 1 calc R
C17 C 0.0470(8) 0.2970(7) 0.3351(6) 0.0412(18) Uani 1 1 d .
H17A H 0.0241 0.3492 0.2876 0.049 Uiso 1 1 calc R
H17B H -0.0336 0.2101 0.3107 0.049 Uiso 1 1 calc R
C18 C 0.1731(8) 0.2872(7) 0.3118(6) 0.0401(18) Uani 1 1 d .
H18A H 0.2063 0.2492 0.3694 0.048 Uiso 1 1 calc R
H18B H 0.2484 0.3746 0.3229 0.048 Uiso 1 1 calc R
C19 C 0.1422(9) 0.2059(7) 0.1892(6) 0.043(2) Uani 1 1 d .
H19A H 0.1022 0.2403 0.1320 0.052 Uiso 1 1 calc R
H19B H 0.2307 0.2155 0.1763 0.052 Uiso 1 1 calc R
C20 C 0.0811(8) -0.0233(6) 0.1982(6) 0.0322(16) Uani 1 1 d .
C21 C 0.2274(8) 0.0053(7) 0.2538(7) 0.046(2) Uani 1 1 d .
H21A H 0.2269 -0.0703 0.2754 0.069 Uiso 1 1 calc R
H21B H 0.2687 0.0776 0.3234 0.069 Uiso 1 1 calc R
H21C H 0.2817 0.0274 0.1987 0.069 Uiso 1 1 calc R
C22 C -0.0981(8) 0.0072(7) 0.1151(6) 0.0341(17) Uani 1 1 d .
C23 C -0.1870(9) 0.0546(8) 0.0662(7) 0.046(2) Uani 1 1 d .
H23 H -0.1529 0.1409 0.0623 0.055 Uiso 1 1 calc R
C24 C -0.3271(10) -0.0338(9) 0.0243(7) 0.057(2) Uani 1 1 d .
H24 H -0.3896 -0.0068 -0.0115 0.068 Uiso 1 1 calc R
C25 C -0.3817(9) -0.1632(8) 0.0325(7) 0.053(2) Uani 1 1 d .
H25 H -0.4786 -0.2185 0.0047 0.064 Uiso 1 1 calc R
C26 C -0.2935(8) -0.2096(7) 0.0814(7) 0.0447(19) Uani 1 1 d .
H26 H -0.3287 -0.2951 0.0880 0.054 Uiso 1 1 calc R
C27 C -0.1477(8) -0.1219(7) 0.1208(6) 0.0354(17) Uani 1 1 d .
H1WA H -0.014(6) 0.545(7) 0.900(6) 0.08(3) 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
O6 Cd1 N2 99.23(19) 2_567 .
O6 Cd1 N4 101.29(19) 2_567 2_556
N2 Cd1 N4 105.79(19) . 2_556
O6 Cd1 O2 111.78(18) 2_567 .
N2 Cd1 O2 142.12(18) . .
N4 Cd1 O2 89.37(17) 2_556 .
O6 Cd1 O1W 77.62(18) 2_567 .
N2 Cd1 O1W 85.61(19) . .
N4 Cd1 O1W 168.53(19) 2_556 .
O2 Cd1 O1W 80.58(17) . .
O6 Cd1 O1 155.42(17) 2_567 .
N2 Cd1 O1 88.47(18) . .
N4 Cd1 O1 98.94(18) 2_556 .
O2 Cd1 O1 54.50(16) . .
O1W Cd1 O1 79.77(18) . .
Cd1 O1W H1WB 124(4) . .
Cd1 O1W H1WA 107(5) . .
H1WB O1W H1WA 110(3) . .
C8 O1 Cd1 87.2(4) . .
O4 N1 O5 122.3(7) . .
O4 N1 C1 119.0(6) . .
O5 N1 C1 118.6(7) . .
C2 C1 C6 123.3(7) . .
C2 C1 N1 117.3(7) . .
C6 C1 N1 119.1(6) . .
C8 O2 Cd1 94.2(4) . .
C9 N2 C15 104.5(5) . .
C9 N2 Cd1 128.5(4) . .
C15 N2 Cd1 126.5(4) . .
C1 C2 C3 118.9(7) . .
C1 C2 H2 120.5 . .
C3 C2 H2 120.5 . .
C9 N3 C10 107.5(6) . .
C9 N3 C17 128.4(6) . .
C10 N3 C17 123.4(6) . .
C4 C3 C2 119.3(7) . .
C4 C3 H3 120.3 . .
C2 C3 H3 120.3 . .
C3 C4 C5 121.3(7) . .
C3 C4 H4A 119.4 . .
C5 C4 H4A 119.4 . .
C20 N4 C27 105.3(5) . .
C20 N4 Cd1 128.1(5) . 2_556
C27 N4 Cd1 125.8(4) . 2_556
C20 N5 C22 108.0(6) . .
C20 N5 C19 126.2(6) . .
C22 N5 C19 125.7(6) . .
C4 C5 C6 120.3(6) . .
C4 C5 C8 118.0(6) . .
C6 C5 C8 121.7(6) . .
C1 C6 C5 116.5(6) . .
C1 C6 C7 125.2(6) . .
C5 C6 C7 118.2(6) . .
C7 O6 Cd1 124.8(5) . 2_567
O6 C7 O3 126.4(7) . .
O6 C7 C6 114.3(6) . .
O3 C7 C6 119.2(7) . .
O2 C8 O1 123.9(7) . .
O2 C8 C5 117.5(7) . .
O1 C8 C5 118.6(6) . .
N2 C9 N3 112.8(6) . .
N2 C9 C16 122.9(6) . .
N3 C9 C16 124.3(6) . .
C15 C10 N3 106.7(6) . .
C15 C10 C11 122.8(6) . .
N3 C10 C11 130.5(6) . .
C12 C11 C10 115.8(7) . .
C12 C11 H11 122.1 . .
C10 C11 H11 122.1 . .
C11 C12 C13 119.5(7) . .
C11 C12 H12 120.3 . .
C13 C12 H12 120.3 . .
C14 C13 C12 121.6(7) . .
C14 C13 H13 119.2 . .
C12 C13 H13 119.2 . .
C13 C14 C15 119.3(7) . .
C13 C14 H14 120.3 . .
C15 C14 H14 120.3 . .
C10 C15 C14 121.0(7) . .
C10 C15 N2 108.5(6) . .
C14 C15 N2 130.4(6) . .
C9 C16 H16A 109.5 . .
C9 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C9 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N3 C17 C18 112.3(6) . .
N3 C17 H17A 109.1 . .
C18 C17 H17A 109.1 . .
N3 C17 H17B 109.1 . .
C18 C17 H17B 109.1 . .
H17A C17 H17B 107.9 . .
C17 C18 C19 113.3(6) . .
C17 C18 H18A 108.9 . .
C19 C18 H18A 108.9 . .
C17 C18 H18B 108.9 . .
C19 C18 H18B 108.9 . .
H18A C18 H18B 107.7 . .
N5 C19 C18 114.8(5) . .
N5 C19 H19A 108.6 . .
C18 C19 H19A 108.6 . .
N5 C19 H19B 108.6 . .
C18 C19 H19B 108.6 . .
H19A C19 H19B 107.6 . .
N4 C20 N5 111.8(6) . .
N4 C20 C21 124.9(6) . .
N5 C20 C21 123.3(6) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N5 C22 C27 105.7(6) . .
N5 C22 C23 131.6(6) . .
C27 C22 C23 122.7(7) . .
C24 C23 C22 115.7(7) . .
C24 C23 H23 122.1 . .
C22 C23 H23 122.1 . .
C23 C24 C25 123.3(8) . .
C23 C24 H24 118.4 . .
C25 C24 H24 118.4 . .
C26 C25 C24 120.9(8) . .
C26 C25 H25 119.6 . .
C24 C25 H25 119.6 . .
C25 C26 C27 117.0(7) . .
C25 C26 H26 121.5 . .
C27 C26 H26 121.5 . .
C22 C27 C26 120.4(7) . .
C22 C27 N4 109.2(6) . .
C26 C27 N4 130.4(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O6 2.271(5) 2_567
Cd1 N2 2.282(5) .
Cd1 N4 2.333(5) 2_556
Cd1 O2 2.366(5) .
Cd1 O1W 2.384(5) .
Cd1 O1 2.516(5) .
O1W H1WB 0.849(10) .
O1W H1WA 0.850(10) .
O1 C8 1.274(8) .
N1 O4 1.218(8) .
N1 O5 1.222(7) .
N1 C1 1.472(9) .
C1 C2 1.369(10) .
C1 C6 1.389(9) .
O2 C8 1.263(8) .
N2 C9 1.316(8) .
N2 C15 1.429(8) .
C2 C3 1.374(11) .
C2 H2 0.9300 .
O3 C7 1.232(8) .
N3 C9 1.321(8) .
N3 C10 1.389(8) .
N3 C17 1.496(8) .
C3 C4 1.372(10) .
C3 H3 0.9300 .
C4 C5 1.383(9) .
C4 H4A 0.9300 .
N4 C20 1.335(8) .
N4 C27 1.409(9) .
N4 Cd1 2.333(5) 2_556
N5 C20 1.358(8) .
N5 C22 1.383(9) .
N5 C19 1.449(8) .
C5 C6 1.390(9) .
C5 C8 1.518(9) .
C6 C7 1.514(9) .
O6 C7 1.226(8) .
O6 Cd1 2.271(5) 2_567
C9 C16 1.501(9) .
C10 C15 1.344(9) .
C10 C11 1.423(9) .
C11 C12 1.388(10) .
C11 H11 0.9300 .
C12 C13 1.453(10) .
C12 H12 0.9300 .
C13 C14 1.317(9) .
C13 H13 0.9300 .
C14 C15 1.384(9) .
C14 H14 0.9300 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.504(10) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C19 1.504(9) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C21 1.475(10) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 C27 1.392(9) .
C22 C23 1.392(9) .
C23 C24 1.363(11) .
C23 H23 0.9300 .
C24 C25 1.402(11) .
C24 H24 0.9300 .
C25 C26 1.378(10) .
C25 H25 0.9300 .
C26 C27 1.407(10) .
C26 H26 0.9300 .
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_1
O6 Cd1 O1 C8 60.1(6) 2_567
N2 Cd1 O1 C8 169.2(4) .
N4 Cd1 O1 C8 -85.0(4) 2_556
O2 Cd1 O1 C8 -2.3(4) .
O1W Cd1 O1 C8 83.4(4) .
O4 N1 C1 C2 155.5(7) .
O5 N1 C1 C2 -21.9(11) .
O4 N1 C1 C6 -18.6(11) .
O5 N1 C1 C6 163.9(7) .
O6 Cd1 O2 C8 -154.3(4) 2_567
N2 Cd1 O2 C8 -11.7(5) .
N4 Cd1 O2 C8 103.7(4) 2_556
O1W Cd1 O2 C8 -81.8(4) .
O1 Cd1 O2 C8 2.3(4) .
O6 Cd1 N2 C9 -61.2(6) 2_567
N4 Cd1 N2 C9 43.4(6) 2_556
O2 Cd1 N2 C9 153.6(5) .
O1W Cd1 N2 C9 -137.9(6) .
O1 Cd1 N2 C9 142.2(6) .
O6 Cd1 N2 C15 108.7(5) 2_567
N4 Cd1 N2 C15 -146.7(5) 2_556
O2 Cd1 N2 C15 -36.5(6) .
O1W Cd1 N2 C15 32.0(5) .
O1 Cd1 N2 C15 -47.9(5) .
C6 C1 C2 C3 -0.1(12) .
N1 C1 C2 C3 -174.0(7) .
C1 C2 C3 C4 5.0(13) .
C2 C3 C4 C5 -4.6(13) .
C3 C4 C5 C6 -0.7(11) .
C3 C4 C5 C8 179.3(7) .
C2 C1 C6 C5 -5.0(11) .
N1 C1 C6 C5 168.8(6) .
C2 C1 C6 C7 170.9(7) .
N1 C1 C6 C7 -15.3(11) .
C4 C5 C6 C1 5.3(10) .
C8 C5 C6 C1 -174.7(6) .
C4 C5 C6 C7 -170.8(6) .
C8 C5 C6 C7 9.1(10) .
Cd1 O6 C7 O3 28.1(10) 2_567
Cd1 O6 C7 C6 -147.9(4) 2_567
C1 C6 C7 O6 -62.1(9) .
C5 C6 C7 O6 113.8(7) .
C1 C6 C7 O3 121.7(7) .
C5 C6 C7 O3 -62.5(9) .
Cd1 O2 C8 O1 -4.4(7) .
Cd1 O2 C8 C5 174.8(5) .
Cd1 O1 C8 O2 4.2(6) .
Cd1 O1 C8 C5 -175.1(5) .
C4 C5 C8 O2 102.8(8) .
C6 C5 C8 O2 -77.2(8) .
C4 C5 C8 O1 -77.9(8) .
C6 C5 C8 O1 102.1(8) .
C15 N2 C9 N3 -1.8(8) .
Cd1 N2 C9 N3 169.8(4) .
C15 N2 C9 C16 178.8(7) .
Cd1 N2 C9 C16 -9.6(10) .
C10 N3 C9 N2 1.5(8) .
C17 N3 C9 N2 172.5(6) .
C10 N3 C9 C16 -179.1(7) .
C17 N3 C9 C16 -8.1(12) .
C9 N3 C10 C15 -0.5(8) .
C17 N3 C10 C15 -172.1(6) .
C9 N3 C10 C11 178.6(7) .
C17 N3 C10 C11 7.1(11) .
C15 C10 C11 C12 0.0(11) .
N3 C10 C11 C12 -179.0(8) .
C10 C11 C12 C13 1.3(12) .
C11 C12 C13 C14 -0.6(13) .
C12 C13 C14 C15 -1.4(12) .
N3 C10 C15 C14 177.1(6) .
C11 C10 C15 C14 -2.1(11) .
N3 C10 C15 N2 -0.6(7) .
C11 C10 C15 N2 -179.8(6) .
C13 C14 C15 C10 2.8(11) .
C13 C14 C15 N2 179.9(7) .
C9 N2 C15 C10 1.4(7) .
Cd1 N2 C15 C10 -170.4(5) .
C9 N2 C15 C14 -175.9(8) .
Cd1 N2 C15 C14 12.2(10) .
C9 N3 C17 C18 -96.3(9) .
C10 N3 C17 C18 73.4(8) .
N3 C17 C18 C19 169.8(5) .
C20 N5 C19 C18 -81.4(9) .
C22 N5 C19 C18 94.4(8) .
C17 C18 C19 N5 -67.4(8) .
C27 N4 C20 N5 -0.7(7) .
Cd1 N4 C20 N5 169.4(4) 2_556
C27 N4 C20 C21 180.0(7) .
Cd1 N4 C20 C21 -9.9(10) 2_556
C22 N5 C20 N4 -0.7(8) .
C19 N5 C20 N4 175.8(6) .
C22 N5 C20 C21 178.7(6) .
C19 N5 C20 C21 -4.8(11) .
C20 N5 C22 C27 1.7(7) .
C19 N5 C22 C27 -174.7(6) .
C20 N5 C22 C23 -178.9(7) .
C19 N5 C22 C23 4.6(12) .
N5 C22 C23 C24 -179.0(7) .
C27 C22 C23 C24 0.3(11) .
C22 C23 C24 C25 2.2(12) .
C23 C24 C25 C26 -2.0(14) .
C24 C25 C26 C27 -0.7(12) .
N5 C22 C27 C26 176.5(6) .
C23 C22 C27 C26 -3.0(11) .
N5 C22 C27 N4 -2.1(7) .
C23 C22 C27 N4 178.4(6) .
C25 C26 C27 C22 3.0(11) .
C25 C26 C27 N4 -178.7(7) .
C20 N4 C27 C22 1.8(7) .
Cd1 N4 C27 C22 -168.6(4) 2_556
C20 N4 C27 C26 -176.7(7) .
Cd1 N4 C27 C26 12.9(10) 2_556
