#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:49:02 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180483 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/52/7215230.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_7215230
loop_
_publ_author_name
'Li, Ming'
'Liu, Lu'
'Zhang, Lin'
'Lv, Xiaofeng'
'Ding, Jie'
'Hou, Hongwei'
'Fan, Yaoting'
_publ_section_title
;
 Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different
 aromatic polycarboxylates: synthesis, structures and photocatalytic
 properties
;
_journal_issue                   28
_journal_name_full               CrystEngComm
_journal_page_first              6408
_journal_paper_doi               10.1039/c4ce00093e
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C27 H24 Cd N4 O4'
_chemical_formula_sum            'C27 H24 Cd N4 O4'
_chemical_formula_weight         580.90
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 132.259(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.761(3)
_cell_length_b                   14.961(3)
_cell_length_c                   17.532(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2477.3(14)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '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  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21074
_diffrn_reflns_theta_full        28.05
_diffrn_reflns_theta_max         28.05
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    0.923
_exptl_absorpt_correction_T_max  0.8228
_exptl_absorpt_correction_T_min  0.7444
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.558
_refine_diff_density_min         -0.581
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         5833
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0411
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1337
_refine_ls_wR_factor_ref         0.1413
_reflns_number_gt                5242
_reflns_number_total             5833
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00093e2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7215230--7215235.cif.'
_cod_original_cell_volume        2477.3(11)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7215230
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 1.05458(2) -0.056066(14) 0.277556(17) 0.03197(11) Uani 1 1 d .
O1 O 0.8236(3) -0.0814(2) 0.12825(19) 0.0514(7) Uani 1 1 d .
O2 O 0.8876(2) -0.15183(16) 0.26437(17) 0.0424(5) Uani 1 1 d .
O3 O 0.2643(3) -0.40025(19) -0.0676(2) 0.0569(7) Uani 1 1 d .
O4 O 0.1670(3) -0.29756(18) -0.1875(2) 0.0493(6) Uani 1 1 d .
N1 N 1.0418(3) 0.05609(16) 0.3601(2) 0.0376(6) Uani 1 1 d .
N2 N 1.1207(3) 0.12593(18) 0.5025(2) 0.0380(6) Uani 1 1 d .
N3 N 1.1224(3) 0.40492(19) 0.5963(2) 0.0398(6) Uani 1 1 d .
N4 N 1.1157(3) 0.49796(18) 0.6915(2) 0.0371(6) Uani 1 1 d .
C1 C 0.8907(4) 0.1244(3) 0.4652(3) 0.0481(8) Uani 1 1 d .
H1 H 0.9247 0.1509 0.5262 0.058 Uiso 1 1 calc R
C2 C 0.7509(4) 0.0984(3) 0.3894(3) 0.0542(10) Uani 1 1 d .
H2 H 0.6893 0.1069 0.3999 0.065 Uiso 1 1 calc R
C3 C 0.6995(4) 0.0596(2) 0.2969(4) 0.0531(10) Uani 1 1 d .
H3 H 0.6040 0.0449 0.2468 0.064 Uiso 1 1 calc R
C4 C 0.7862(4) 0.0427(2) 0.2787(3) 0.0461(9) Uani 1 1 d .
H4 H 0.7518 0.0162 0.2176 0.055 Uiso 1 1 calc R
C5 C 0.9290(4) 0.0669(2) 0.3555(3) 0.0359(7) Uani 1 1 d .
C6 C 0.9774(4) 0.1087(2) 0.4451(3) 0.0372(7) Uani 1 1 d .
C7 C 1.1534(4) 0.0924(2) 0.4486(3) 0.0378(7) Uani 1 1 d .
C8 C 1.2974(4) 0.0975(3) 0.4868(3) 0.0556(10) Uani 1 1 d .
H8A H 1.2964 0.0753 0.4349 0.083 Uiso 1 1 calc R
H8B H 1.3607 0.0620 0.5481 0.083 Uiso 1 1 calc R
H8C H 1.3288 0.1585 0.5022 0.083 Uiso 1 1 calc R
C9 C 1.2173(4) 0.1718(2) 0.6018(3) 0.0443(8) Uani 1 1 d .
H9A H 1.3092 0.1429 0.6444 0.053 Uiso 1 1 calc R
H9B H 1.1820 0.1656 0.6362 0.053 Uiso 1 1 calc R
C10 C 1.2353(4) 0.2706(2) 0.5927(3) 0.0475(8) Uani 1 1 d .
H10A H 1.2680 0.2766 0.5565 0.057 Uiso 1 1 calc R
H10B H 1.3083 0.2948 0.6614 0.057 Uiso 1 1 calc R
C11 C 1.0715(4) 0.4204(2) 0.6426(3) 0.0373(7) Uani 1 1 d .
C12 C 0.9777(4) 0.3576(3) 0.6387(3) 0.0524(9) Uani 1 1 d .
H12A H 0.9460 0.3852 0.6695 0.079 Uiso 1 1 calc R
H12B H 1.0292 0.3040 0.6758 0.079 Uiso 1 1 calc R
H12C H 0.8974 0.3429 0.5682 0.079 Uiso 1 1 calc R
C13 C 1.2008(4) 0.5364(2) 0.6764(3) 0.0367(7) Uani 1 1 d .
C14 C 1.2044(4) 0.4777(2) 0.6157(2) 0.0389(7) Uani 1 1 d .
C15 C 1.2776(4) 0.4977(3) 0.5847(3) 0.0528(9) Uani 1 1 d .
H15 H 1.2795 0.4584 0.5446 0.063 Uiso 1 1 calc R
C16 C 1.3468(5) 0.5782(3) 0.6164(3) 0.0580(10) Uani 1 1 d .
H16 H 1.3968 0.5938 0.5971 0.070 Uiso 1 1 calc R
C17 C 1.3444(5) 0.6372(3) 0.6765(3) 0.0568(10) Uani 1 1 d .
H17 H 1.3932 0.6910 0.6970 0.068 Uiso 1 1 calc R
C18 C 1.2705(4) 0.6171(2) 0.7065(3) 0.0481(8) Uani 1 1 d .
H18 H 1.2681 0.6570 0.7460 0.058 Uiso 1 1 calc R
C19 C 1.1006(4) 0.3263(3) 0.5366(3) 0.0549(10) Uani 1 1 d .
H19A H 1.0681 0.3460 0.4710 0.066 Uiso 1 1 calc R
H19B H 1.0271 0.2890 0.5227 0.066 Uiso 1 1 calc R
C20 C 0.2661(3) -0.3252(2) -0.0992(3) 0.0393(7) Uani 1 1 d .
C21 C 0.7998(3) -0.1360(2) 0.1706(2) 0.0372(7) Uani 1 1 d .
C22 C 0.5103(4) -0.2998(2) 0.0749(3) 0.0440(8) Uani 1 1 d .
H22 H 0.4987 -0.3506 0.0991 0.053 Uiso 1 1 calc R
C23 C 0.4003(3) -0.2707(2) -0.0254(3) 0.0374(7) Uani 1 1 d .
C24 C 0.6358(3) -0.2538(2) 0.1382(2) 0.0417(7) Uani 1 1 d .
H24 H 0.7078 -0.2726 0.2058 0.050 Uiso 1 1 calc R
C25 C 0.6567(3) -0.1795(2) 0.1024(2) 0.0370(7) Uani 1 1 d .
C26 C 0.5470(4) -0.1501(3) 0.0034(3) 0.0489(9) Uani 1 1 d .
H26 H 0.5591 -0.0997 -0.0210 0.059 Uiso 1 1 calc R
C27 C 0.4179(4) -0.1954(2) -0.0607(3) 0.0471(8) Uani 1 1 d .
H27 H 0.3440 -0.1747 -0.1272 0.056 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'
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
O3 Cd1 N4 104.30(11) 4_656 4_565
O3 Cd1 N1 89.02(11) 4_656 .
N4 Cd1 N1 109.83(9) 4_565 .
O3 Cd1 O1 152.52(11) 4_656 .
N4 Cd1 O1 93.24(10) 4_565 .
N1 Cd1 O1 104.94(11) . .
O3 Cd1 O2 101.24(10) 4_656 .
N4 Cd1 O2 145.35(9) 4_565 .
N1 Cd1 O2 93.51(9) . .
O1 Cd1 O2 55.16(8) . .
O3 Cd1 O4 55.00(9) 4_656 4_656
N4 Cd1 O4 95.87(9) 4_565 4_656
N1 Cd1 O4 140.52(10) . 4_656
O1 Cd1 O4 102.89(10) . 4_656
O2 Cd1 O4 80.03(8) . 4_656
O3 Cd1 C20 27.75(10) 4_656 4_656
N4 Cd1 C20 100.21(10) 4_565 4_656
N1 Cd1 C20 115.76(11) . 4_656
O1 Cd1 C20 128.97(11) . 4_656
O2 Cd1 C20 91.65(9) . 4_656
O4 Cd1 C20 27.30(9) 4_656 4_656
C21 O1 Cd1 93.9(2) . .
C21 O2 Cd1 88.09(19) . .
C20 O3 Cd1 94.9(2) . 4_455
C20 O4 Cd1 87.0(2) . 4_455
C7 N1 C5 105.9(3) . .
C7 N1 Cd1 124.2(2) . .
C5 N1 Cd1 123.8(2) . .
C7 N2 C6 107.3(3) . .
C7 N2 C9 126.4(3) . .
C6 N2 C9 126.3(3) . .
C11 N3 C14 107.8(3) . .
C11 N3 C19 128.6(3) . .
C14 N3 C19 123.6(3) . .
C11 N4 C13 106.6(3) . .
C11 N4 Cd1 125.1(2) . 4_566
C13 N4 Cd1 128.3(2) . 4_566
C2 C1 C6 116.2(3) . .
C2 C1 H1 121.9 . .
C6 C1 H1 121.9 . .
C1 C2 C3 121.8(4) . .
C1 C2 H2 119.1 . .
C3 C2 H2 119.1 . .
C4 C3 C2 121.6(4) . .
C4 C3 H3 119.2 . .
C2 C3 H3 119.2 . .
C3 C4 C5 117.5(4) . .
C3 C4 H4 121.2 . .
C5 C4 H4 121.2 . .
C6 C5 N1 109.2(3) . .
C6 C5 C4 120.2(3) . .
N1 C5 C4 130.5(3) . .
C1 C6 C5 122.6(3) . .
C1 C6 N2 131.9(3) . .
C5 C6 N2 105.6(3) . .
N1 C7 N2 112.0(3) . .
N1 C7 C8 125.5(3) . .
N2 C7 C8 122.5(3) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N2 C9 C10 113.4(3) . .
N2 C9 H9A 108.9 . .
C10 C9 H9A 108.9 . .
N2 C9 H9B 108.9 . .
C10 C9 H9B 108.9 . .
H9A C9 H9B 107.7 . .
C9 C10 C19 114.4(3) . .
C9 C10 H10A 108.7 . .
C19 C10 H10A 108.7 . .
C9 C10 H10B 108.7 . .
C19 C10 H10B 108.7 . .
H10A C10 H10B 107.6 . .
N4 C11 N3 111.7(3) . .
N4 C11 C12 124.3(3) . .
N3 C11 C12 124.0(3) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C18 C13 N4 132.0(3) . .
C18 C13 C14 119.8(3) . .
N4 C13 C14 108.1(3) . .
N3 C14 C15 131.9(3) . .
N3 C14 C13 105.8(3) . .
C15 C14 C13 122.2(3) . .
C16 C15 C14 116.7(3) . .
C16 C15 H15 121.6 . .
C14 C15 H15 121.6 . .
C15 C16 C17 121.9(4) . .
C15 C16 H16 119.1 . .
C17 C16 H16 119.1 . .
C18 C17 C16 121.1(4) . .
C18 C17 H17 119.4 . .
C16 C17 H17 119.4 . .
C13 C18 C17 118.2(3) . .
C13 C18 H18 120.9 . .
C17 C18 H18 120.9 . .
N3 C19 C10 112.6(3) . .
N3 C19 H19A 109.1 . .
C10 C19 H19A 109.1 . .
N3 C19 H19B 109.1 . .
C10 C19 H19B 109.1 . .
H19A C19 H19B 107.8 . .
O4 C20 O3 122.9(3) . .
O4 C20 C23 120.4(3) . .
O3 C20 C23 116.7(3) . .
O4 C20 Cd1 65.67(19) . 4_455
O3 C20 Cd1 57.35(17) . 4_455
C23 C20 Cd1 170.9(2) . 4_455
O2 C21 O1 122.7(3) . .
O2 C21 C25 120.3(3) . .
O1 C21 C25 117.0(3) . .
C24 C22 C23 120.2(3) . .
C24 C22 H22 119.9 . .
C23 C22 H22 119.9 . .
C27 C23 C22 119.6(3) . .
C27 C23 C20 119.3(3) . .
C22 C23 C20 120.8(3) . .
C22 C24 C25 120.7(3) . .
C22 C24 H24 119.6 . .
C25 C24 H24 119.6 . .
C26 C25 C24 119.0(3) . .
C26 C25 C21 121.8(3) . .
C24 C25 C21 119.2(3) . .
C25 C26 C27 120.6(3) . .
C25 C26 H26 119.7 . .
C27 C26 H26 119.7 . .
C23 C27 C26 119.8(3) . .
C23 C27 H27 120.1 . .
C26 C27 H27 120.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O3 2.278(3) 4_656
Cd1 N4 2.287(3) 4_565
Cd1 N1 2.292(3) .
Cd1 O1 2.304(3) .
Cd1 O2 2.446(2) .
Cd1 O4 2.459(3) 4_656
Cd1 C20 2.695(3) 4_656
O1 C21 1.271(4) .
O2 C21 1.239(4) .
O3 C20 1.259(4) .
O3 Cd1 2.277(3) 4_455
O4 C20 1.238(4) .
O4 Cd1 2.459(3) 4_455
N1 C7 1.326(4) .
N1 C5 1.395(4) .
N2 C7 1.358(4) .
N2 C6 1.396(4) .
N2 C9 1.461(4) .
N3 C11 1.356(4) .
N3 C14 1.385(5) .
N3 C19 1.472(4) .
N4 C11 1.322(4) .
N4 C13 1.401(4) .
N4 Cd1 2.287(3) 4_566
C1 C2 1.382(5) .
C1 C6 1.389(5) .
C1 H1 0.9300 .
C2 C3 1.401(6) .
C2 H2 0.9300 .
C3 C4 1.366(6) .
C3 H3 0.9300 .
C4 C5 1.401(5) .
C4 H4 0.9300 .
C5 C6 1.392(5) .
C7 C8 1.476(5) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C10 1.520(5) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C19 1.531(5) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.487(5) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C18 1.377(5) .
C13 C14 1.404(5) .
C14 C15 1.393(5) .
C15 C16 1.370(6) .
C15 H15 0.9300 .
C16 C17 1.391(6) .
C16 H16 0.9300 .
C17 C18 1.387(5) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C23 1.514(4) .
C20 Cd1 2.695(3) 4_455
C21 C25 1.501(4) .
C22 C24 1.372(5) .
C22 C23 1.390(5) .
C22 H22 0.9300 .
C23 C27 1.375(5) .
C24 C25 1.387(5) .
C24 H24 0.9300 .
C25 C26 1.377(5) .
C26 C27 1.394(5) .
C26 H26 0.9300 .
C27 H27 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
O3 Cd1 O1 C21 32.0(3) 4_656
N4 Cd1 O1 C21 162.2(2) 4_565
N1 Cd1 O1 C21 -86.3(2) .
O2 Cd1 O1 C21 -2.53(19) .
O4 Cd1 O1 C21 65.4(2) 4_656
C20 Cd1 O1 C21 56.3(3) 4_656
O3 Cd1 O2 C21 -161.93(19) 4_656
N4 Cd1 O2 C21 -25.0(3) 4_565
N1 Cd1 O2 C21 108.4(2) .
O1 Cd1 O2 C21 2.6(2) .
O4 Cd1 O2 C21 -110.9(2) 4_656
C20 Cd1 O2 C21 -135.7(2) 4_656
O3 Cd1 N1 C7 25.9(3) 4_656
N4 Cd1 N1 C7 -79.0(3) 4_565
O1 Cd1 N1 C7 -178.1(3) .
O2 Cd1 N1 C7 127.1(3) .
O4 Cd1 N1 C7 48.5(3) 4_656
C20 Cd1 N1 C7 33.5(3) 4_656
O3 Cd1 N1 C5 -122.9(3) 4_656
N4 Cd1 N1 C5 132.3(2) 4_565
O1 Cd1 N1 C5 33.2(3) .
O2 Cd1 N1 C5 -21.7(3) .
O4 Cd1 N1 C5 -100.2(3) 4_656
C20 Cd1 N1 C5 -115.2(3) 4_656
C6 C1 C2 C3 -0.9(6) .
C1 C2 C3 C4 2.2(6) .
C2 C3 C4 C5 -0.8(6) .
C7 N1 C5 C6 -1.5(3) .
Cd1 N1 C5 C6 152.0(2) .
C7 N1 C5 C4 178.7(3) .
Cd1 N1 C5 C4 -27.8(5) .
C3 C4 C5 C6 -1.8(5) .
C3 C4 C5 N1 178.1(3) .
C2 C1 C6 C5 -1.8(5) .
C2 C1 C6 N2 179.8(4) .
N1 C5 C6 C1 -176.7(3) .
C4 C5 C6 C1 3.2(5) .
N1 C5 C6 N2 2.1(3) .
C4 C5 C6 N2 -178.0(3) .
C7 N2 C6 C1 176.7(4) .
C9 N2 C6 C1 -3.5(6) .
C7 N2 C6 C5 -1.9(3) .
C9 N2 C6 C5 178.0(3) .
C5 N1 C7 N2 0.3(4) .
Cd1 N1 C7 N2 -153.1(2) .
C5 N1 C7 C8 -179.5(3) .
Cd1 N1 C7 C8 27.1(5) .
C6 N2 C7 N1 1.0(4) .
C9 N2 C7 N1 -178.8(3) .
C6 N2 C7 C8 -179.2(3) .
C9 N2 C7 C8 1.0(5) .
C7 N2 C9 C10 83.1(4) .
C6 N2 C9 C10 -96.7(4) .
N2 C9 C10 C19 64.7(4) .
C13 N4 C11 N3 0.2(4) .
Cd1 N4 C11 N3 178.3(2) 4_566
C13 N4 C11 C12 -179.9(3) .
Cd1 N4 C11 C12 -1.8(5) 4_566
C14 N3 C11 N4 -0.6(4) .
C19 N3 C11 N4 178.7(3) .
C14 N3 C11 C12 179.6(3) .
C19 N3 C11 C12 -1.2(5) .
C11 N4 C13 C18 177.7(4) .
Cd1 N4 C13 C18 -0.3(6) 4_566
C11 N4 C13 C14 0.2(4) .
Cd1 N4 C13 C14 -177.8(2) 4_566
C11 N3 C14 C15 -178.1(4) .
C19 N3 C14 C15 2.6(6) .
C11 N3 C14 C13 0.6(4) .
C19 N3 C14 C13 -178.6(3) .
C18 C13 C14 N3 -178.4(3) .
N4 C13 C14 N3 -0.5(4) .
C18 C13 C14 C15 0.5(5) .
N4 C13 C14 C15 178.4(3) .
N3 C14 C15 C16 178.5(4) .
C13 C14 C15 C16 -0.1(6) .
C14 C15 C16 C17 0.0(6) .
C15 C16 C17 C18 -0.5(7) .
N4 C13 C18 C17 -178.1(4) .
C14 C13 C18 C17 -0.9(6) .
C16 C17 C18 C13 0.9(6) .
C11 N3 C19 C10 -110.4(4) .
C14 N3 C19 C10 68.7(5) .
C9 C10 C19 N3 127.6(4) .
Cd1 O4 C20 O3 -4.3(3) 4_455
Cd1 O4 C20 C23 172.4(3) 4_455
Cd1 O3 C20 O4 4.7(4) 4_455
Cd1 O3 C20 C23 -172.2(2) 4_455
Cd1 O2 C21 O1 -4.6(3) .
Cd1 O2 C21 C25 177.4(3) .
Cd1 O1 C21 O2 4.9(4) .
Cd1 O1 C21 C25 -177.1(2) .
C24 C22 C23 C27 -0.2(5) .
C24 C22 C23 C20 174.4(3) .
O4 C20 C23 C27 -7.4(5) .
O3 C20 C23 C27 169.5(3) .
Cd1 C20 C23 C27 122.8(14) 4_455
O4 C20 C23 C22 177.9(3) .
O3 C20 C23 C22 -5.2(5) .
Cd1 C20 C23 C22 -51.9(16) 4_455
C23 C22 C24 C25 -2.0(5) .
C22 C24 C25 C26 2.8(5) .
C22 C24 C25 C21 -174.4(3) .
O2 C21 C25 C26 166.2(3) .
O1 C21 C25 C26 -11.9(5) .
O2 C21 C25 C24 -16.7(5) .
O1 C21 C25 C24 165.2(3) .
C24 C25 C26 C27 -1.4(5) .
C21 C25 C26 C27 175.8(3) .
C22 C23 C27 C26 1.6(5) .
C20 C23 C27 C26 -173.1(3) .
C25 C26 C27 C23 -0.8(6) .
