#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:10:59 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180469 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/38/7213872.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_7213872
loop_
_publ_author_name
'Ding, Caixia'
'Rui, Xing'
'Wang, Cheng'
'Xie, Yongshu'
_publ_section_title
;
 Coordination polymers of a multipyridyl and pyrazolyl ligand with
 conformational flexibility: syntheses, structures and luminescence
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1010
_journal_paper_doi               10.1039/c3ce42147c
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C64 H48 Cd Cl2 N20'
_chemical_formula_weight         1280.52
_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                 134.490(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.8210(5)
_cell_length_b                   44.970(3)
_cell_length_c                   11.0991(9)
_cell_measurement_reflns_used    3903
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.672
_cell_measurement_theta_min      2.612
_cell_volume                     2784.8(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0963
_diffrn_reflns_av_sigmaI/netI    0.0986
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -53
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13778
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.61
_exptl_absorpt_coefficient_mu    0.553
_exptl_absorpt_correction_T_max  0.9367
_exptl_absorpt_correction_T_min  0.7891
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1308
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.881
_refine_diff_density_min         -1.358
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.178
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     394
_refine_ls_number_reflns         4909
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.178
_refine_ls_R_factor_all          0.1047
_refine_ls_R_factor_gt           0.0782
_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)+(0.0532P)²+8.9738P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1815
_refine_ls_wR_factor_ref         0.1932
_reflns_number_gt                3564
_reflns_number_total             4909
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42147c.txt
_cod_data_source_block           121121f
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        2784.8(3)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7213872
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 1.5000 0.5000 0.0000 0.0282(2) Uani 1 2 d S
Cl1 Cl 1.0491(3) 0.49962(5) -0.1964(2) 0.0443(5) Uani 1 1 d .
N1 N 0.5864(10) 0.66077(12) -0.0036(7) 0.0280(13) Uani 1 1 d .
N2 N 1.3174(10) 0.57464(12) 0.4122(6) 0.0256(13) Uani 1 1 d .
N3 N 0.3252(10) 0.69506(13) -0.0396(6) 0.0274(13) Uani 1 1 d .
N4 N 0.0650(10) 0.72982(13) -0.0886(7) 0.0314(14) Uani 1 1 d .
N5 N -0.0399(12) 0.74390(16) -0.0464(8) 0.0467(18) Uani 1 1 d .
N6 N 0.6928(9) 0.65633(11) -0.1507(6) 0.0233(12) Uani 1 1 d .
N7 N 0.8253(10) 0.64800(14) -0.2782(7) 0.0340(15) Uani 1 1 d .
N8 N 0.8527(14) 0.65549(18) -0.3821(8) 0.055(2) Uani 1 1 d .
N9 N 1.5320(11) 0.53467(14) 0.1910(7) 0.0374(16) Uani 1 1 d .
N10 N 1.4627(10) 0.53820(12) 0.8271(6) 0.0271(13) Uani 1 1 d .
C1 C 0.7705(12) 0.63836(15) 0.1054(8) 0.0257(15) Uani 1 1 d .
C2 C 0.7226(12) 0.60866(15) 0.0556(8) 0.0310(17) Uani 1 1 d .
H2 H 0.5724 0.6031 -0.0470 0.037 Uiso 1 1 calc R
C3 C 0.8991(12) 0.58768(15) 0.1590(8) 0.0295(16) Uani 1 1 d .
H3 H 0.8674 0.5677 0.1277 0.035 Uiso 1 1 calc R
C4 C 1.1234(12) 0.59624(14) 0.3096(7) 0.0233(15) Uani 1 1 d .
C5 C 1.1667(12) 0.62535(15) 0.3611(8) 0.0290(16) Uani 1 1 d .
H5 H 1.3158 0.6310 0.4645 0.035 Uiso 1 1 calc R
C6 C 0.9874(13) 0.64622(15) 0.2586(8) 0.0298(16) Uani 1 1 d .
H6 H 1.0152 0.6659 0.2946 0.036 Uiso 1 1 calc R
C7 C 0.4653(12) 0.67114(14) 0.0408(8) 0.0240(15) Uani 1 1 d .
C8 C 0.4952(13) 0.65626(17) 0.1652(9) 0.0375(18) Uani 1 1 d .
H8 H 0.5881 0.6392 0.2170 0.045 Uiso 1 1 calc R
C9 C 0.3802(14) 0.66813(17) 0.2078(9) 0.0364(18) Uani 1 1 d .
H9 H 0.4029 0.6593 0.2938 0.044 Uiso 1 1 calc R
C10 C 0.2357(13) 0.69225(18) 0.1284(9) 0.0375(18) Uani 1 1 d .
H10 H 0.1566 0.7001 0.1559 0.045 Uiso 1 1 calc R
C11 C 0.2138(11) 0.70449(15) 0.0039(7) 0.0265(15) Uani 1 1 d .
C12 C -0.1720(16) 0.7649(2) -0.1640(11) 0.055(2) Uani 1 1 d .
H12 H -0.2669 0.7782 -0.1681 0.066 Uiso 1 1 calc R
C13 C -0.1543(16) 0.76488(19) -0.2773(11) 0.053(2) Uani 1 1 d .
H13 H -0.2297 0.7777 -0.3684 0.063 Uiso 1 1 calc R
C14 C -0.0013(14) 0.74199(16) -0.2284(9) 0.042(2) Uani 1 1 d .
H14 H 0.0476 0.7360 -0.2805 0.050 Uiso 1 1 calc R
C15 C 0.5614(12) 0.67151(16) -0.1351(8) 0.0291(16) Uani 1 1 d .
C16 C 0.4224(17) 0.69611(19) -0.2387(11) 0.056(3) Uani 1 1 d .
H16 H 0.3303 0.7065 -0.2285 0.067 Uiso 1 1 calc R
C17 C 0.4277(17) 0.70416(18) -0.3548(11) 0.053(2) Uani 1 1 d .
H17 H 0.3341 0.7201 -0.4258 0.064 Uiso 1 1 calc R
C18 C 0.5623(14) 0.68996(16) -0.3708(9) 0.0369(18) Uani 1 1 d .
H18 H 0.5703 0.6961 -0.4467 0.044 Uiso 1 1 calc R
C19 C 0.6891(12) 0.66533(16) -0.2656(8) 0.0301(16) Uani 1 1 d .
C20 C 0.9706(17) 0.6331(2) -0.3710(11) 0.062(3) Uani 1 1 d .
H20 H 1.0131 0.6318 -0.4308 0.074 Uiso 1 1 calc R
C21 C 1.0231(17) 0.6119(2) -0.2616(11) 0.062(3) Uani 1 1 d .
H21 H 1.1094 0.5945 -0.2318 0.074 Uiso 1 1 calc R
C22 C 0.9259(16) 0.6210(2) -0.2049(10) 0.051(2) Uani 1 1 d .
H22 H 0.9271 0.6110 -0.1311 0.062 Uiso 1 1 calc R
C23 C 1.4077(14) 0.56058(18) 0.1351(9) 0.040(2) Uani 1 1 d .
H23 H 1.3629 0.5693 0.0404 0.048 Uiso 1 1 calc R
C24 C 1.3436(14) 0.57473(17) 0.2071(9) 0.0360(18) Uani 1 1 d .
H24 H 1.2594 0.5926 0.1621 0.043 Uiso 1 1 calc R
C25 C 1.4044(12) 0.56243(14) 0.3481(7) 0.0239(15) Uani 1 1 d .
C26 C 1.5384(11) 0.53644(14) 0.4092(7) 0.0241(15) Uani 1 1 d .
H26 H 1.5849 0.5270 0.5030 0.029 Uiso 1 1 calc R
C27 C 1.6020(12) 0.52469(15) 0.3314(8) 0.0281(16) Uani 1 1 d .
H27 H 1.7032 0.5083 0.3820 0.034 Uiso 1 1 calc R
C28 C 1.6366(12) 0.54136(14) 0.8286(7) 0.0252(15) Uani 1 1 d .
H28 H 1.7897 0.5346 0.9225 0.030 Uiso 1 1 calc R
C29 C 1.5996(12) 0.55398(14) 0.6999(7) 0.0225(14) Uani 1 1 d .
H29 H 1.7272 0.5565 0.7099 0.027 Uiso 1 1 calc R
C30 C 1.3701(12) 0.56308(14) 0.5536(8) 0.0225(14) Uani 1 1 d .
C31 C 1.1901(12) 0.56066(14) 0.5522(8) 0.0248(15) Uani 1 1 d .
H31 H 1.0359 0.5676 0.4608 0.030 Uiso 1 1 calc R
C32 C 1.2464(13) 0.54785(15) 0.6889(8) 0.0298(16) Uani 1 1 d .
H32 H 1.1236 0.5458 0.6843 0.036 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
N10 Cd1 N10 180.00(18) 1_554 3_866
N10 Cd1 N9 96.55(18) 1_554 .
N10 Cd1 N9 83.45(18) 3_866 .
N10 Cd1 N9 83.45(18) 1_554 3_865
N10 Cd1 N9 96.55(18) 3_866 3_865
N9 Cd1 N9 180.0(2) . 3_865
N10 Cd1 Cl1 89.95(14) 1_554 3_865
N10 Cd1 Cl1 90.05(14) 3_866 3_865
N9 Cd1 Cl1 90.81(16) . 3_865
N9 Cd1 Cl1 89.19(16) 3_865 3_865
N10 Cd1 Cl1 90.05(14) 1_554 .
N10 Cd1 Cl1 89.95(14) 3_866 .
N9 Cd1 Cl1 89.19(16) . .
N9 Cd1 Cl1 90.81(16) 3_865 .
Cl1 Cd1 Cl1 180.0 3_865 .
C15 N1 C7 127.1(5) . .
C15 N1 C1 115.8(5) . .
C7 N1 C1 116.9(5) . .
C25 N2 C30 123.6(5) . .
C25 N2 C4 118.5(5) . .
C30 N2 C4 116.6(5) . .
C11 N3 C7 117.0(6) . .
N5 N4 C14 111.6(6) . .
N5 N4 C11 120.8(6) . .
C14 N4 C11 127.6(6) . .
C12 N5 N4 103.6(6) . .
C19 N6 C15 118.0(6) . .
N8 N7 C22 111.1(7) . .
N8 N7 C19 122.0(6) . .
C22 N7 C19 126.6(6) . .
C20 N8 N7 104.4(7) . .
C27 N9 C23 113.8(6) . .
C27 N9 Cd1 120.2(5) . .
C23 N9 Cd1 122.2(4) . .
C32 N10 C28 115.7(6) . .
C32 N10 Cd1 119.5(5) . 1_556
C28 N10 Cd1 119.9(4) . 1_556
C6 C1 C2 119.9(6) . .
C6 C1 N1 120.0(6) . .
C2 C1 N1 120.1(6) . .
C3 C2 C1 119.5(6) . .
C3 C2 H2 120.2 . .
C1 C2 H2 120.2 . .
C2 C3 C4 119.9(6) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C5 C4 C3 120.2(6) . .
C5 C4 N2 119.5(6) . .
C3 C4 N2 120.3(6) . .
C4 C5 C6 119.6(6) . .
C4 C5 H5 120.2 . .
C6 C5 H5 120.2 . .
C1 C6 C5 120.7(6) . .
C1 C6 H6 119.7 . .
C5 C6 H6 119.7 . .
N3 C7 C8 122.4(6) . .
N3 C7 N1 117.9(6) . .
C8 C7 N1 119.7(6) . .
C9 C8 C7 117.0(7) . .
C9 C8 H8 121.5 . .
C7 C8 H8 121.5 . .
C10 C9 C8 122.2(7) . .
C10 C9 H9 118.9 . .
C8 C9 H9 118.9 . .
C9 C10 C11 115.6(7) . .
C9 C10 H10 122.2 . .
C11 C10 H10 122.2 . .
N3 C11 C10 125.7(6) . .
N3 C11 N4 114.0(6) . .
C10 C11 N4 120.4(6) . .
N5 C12 C13 113.3(7) . .
N5 C12 H12 123.4 . .
C13 C12 H12 123.4 . .
C12 C13 C14 105.1(7) . .
C12 C13 H13 127.4 . .
C14 C13 H13 127.4 . .
N4 C14 C13 106.5(7) . .
N4 C14 H14 126.8 . .
C13 C14 H14 126.8 . .
N6 C15 C16 121.2(6) . .
N6 C15 N1 113.2(5) . .
C16 C15 N1 125.5(6) . .
C17 C16 C15 117.6(7) . .
C17 C16 H16 121.2 . .
C15 C16 H16 121.2 . .
C18 C17 C16 122.9(7) . .
C18 C17 H17 118.6 . .
C16 C17 H17 118.6 . .
C17 C18 C19 115.4(7) . .
C17 C18 H18 122.3 . .
C19 C18 H18 122.3 . .
N6 C19 C18 124.9(7) . .
N6 C19 N7 115.0(6) . .
C18 C19 N7 120.1(6) . .
N8 C20 C21 112.0(8) . .
N8 C20 H20 124.0 . .
C21 C20 H20 124.0 . .
C22 C21 C20 106.7(8) . .
C22 C21 H21 126.7 . .
C20 C21 H21 126.7 . .
C21 C22 N7 105.7(8) . .
C21 C22 H22 127.1 . .
N7 C22 H22 127.1 . .
N9 C23 C24 124.9(6) . .
N9 C23 H23 117.5 . .
C24 C23 H23 117.5 . .
C23 C24 C25 119.9(6) . .
C23 C24 H24 120.1 . .
C25 C24 H24 120.1 . .
C26 C25 C24 115.4(6) . .
C26 C25 N2 123.6(6) . .
C24 C25 N2 120.8(6) . .
C27 C26 C25 120.0(6) . .
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
N9 C27 C26 125.6(6) . .
N9 C27 H27 117.2 . .
C26 C27 H27 117.2 . .
N10 C28 C29 123.7(6) . .
N10 C28 H28 118.1 . .
C29 C28 H28 118.1 . .
C28 C29 C30 119.8(6) . .
C28 C29 H29 120.1 . .
C30 C29 H29 120.1 . .
C29 C30 C31 117.0(6) . .
C29 C30 N2 122.5(6) . .
C31 C30 N2 120.5(6) . .
C32 C31 C30 118.5(6) . .
C32 C31 H31 120.7 . .
C30 C31 H31 120.7 . .
N10 C32 C31 125.1(7) . .
N10 C32 H32 117.5 . .
C31 C32 H32 117.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N10 2.436(5) 1_554
Cd1 N10 2.436(5) 3_866
Cd1 N9 2.499(6) .
Cd1 N9 2.499(6) 3_865
Cd1 Cl1 2.5323(17) 3_865
Cd1 Cl1 2.5323(17) .
N1 C15 1.415(8) .
N1 C7 1.418(8) .
N1 C1 1.453(8) .
N2 C25 1.396(8) .
N2 C30 1.413(7) .
N2 C4 1.456(8) .
N3 C11 1.328(8) .
N3 C7 1.336(8) .
N4 N5 1.353(8) .
N4 C14 1.360(9) .
N4 C11 1.425(8) .
N5 C12 1.331(10) .
N6 C19 1.320(8) .
N6 C15 1.342(8) .
N7 N8 1.354(8) .
N7 C22 1.362(10) .
N7 C19 1.404(9) .
N8 C20 1.313(11) .
N9 C27 1.316(8) .
N9 C23 1.357(9) .
N10 C32 1.329(8) .
N10 C28 1.356(9) .
N10 Cd1 2.436(5) 1_556
C1 C6 1.361(9) .
C1 C2 1.393(9) .
C2 C3 1.376(9) .
C2 H2 0.9300 .
C3 C4 1.382(9) .
C3 H3 0.9300 .
C4 C5 1.373(9) .
C5 C6 1.380(9) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.399(9) .
C8 C9 1.382(10) .
C8 H8 0.9300 .
C9 C10 1.354(10) .
C9 H9 0.9300 .
C10 C11 1.381(9) .
C10 H10 0.9300 .
C12 C13 1.359(12) .
C12 H12 0.9300 .
C13 C14 1.370(11) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C16 1.406(10) .
C16 C17 1.366(10) .
C16 H16 0.9300 .
C17 C18 1.345(11) .
C17 H17 0.9300 .
C18 C19 1.396(10) .
C18 H18 0.9300 .
C20 C21 1.360(13) .
C20 H20 0.9300 .
C21 C22 1.346(12) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.362(10) .
C23 H23 0.9300 .
C24 C25 1.393(9) .
C24 H24 0.9300 .
C25 C26 1.388(9) .
C26 C27 1.369(9) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C29 1.366(8) .
C28 H28 0.9300 .
C29 C30 1.393(9) .
C29 H29 0.9300 .
C30 C31 1.401(9) .
C31 C32 1.375(9) .
C31 H31 0.9300 .
C32 H32 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
C14 N4 N5 C12 0.1(9) .
C11 N4 N5 C12 -176.7(7) .
C22 N7 N8 C20 -0.2(10) .
C19 N7 N8 C20 -174.6(7) .
N10 Cd1 N9 C27 -166.9(6) 1_554
N10 Cd1 N9 C27 13.1(6) 3_866
N9 Cd1 N9 C27 -69(100) 3_865
Cl1 Cd1 N9 C27 -76.8(6) 3_865
Cl1 Cd1 N9 C27 103.2(6) .
N10 Cd1 N9 C23 36.2(6) 1_554
N10 Cd1 N9 C23 -143.8(6) 3_866
N9 Cd1 N9 C23 134(100) 3_865
Cl1 Cd1 N9 C23 126.2(6) 3_865
Cl1 Cd1 N9 C23 -53.8(6) .
C15 N1 C1 C6 99.8(7) .
C7 N1 C1 C6 -75.4(8) .
C15 N1 C1 C2 -82.2(8) .
C7 N1 C1 C2 102.6(7) .
C6 C1 C2 C3 -2.7(10) .
N1 C1 C2 C3 179.3(6) .
C1 C2 C3 C4 -1.3(11) .
C2 C3 C4 C5 3.9(10) .
C2 C3 C4 N2 -174.3(6) .
C25 N2 C4 C5 -112.0(7) .
C30 N2 C4 C5 80.6(8) .
C25 N2 C4 C3 66.2(8) .
C30 N2 C4 C3 -101.2(7) .
C3 C4 C5 C6 -2.4(10) .
N2 C4 C5 C6 175.7(6) .
C2 C1 C6 C5 4.1(10) .
N1 C1 C6 C5 -177.9(6) .
C4 C5 C6 C1 -1.6(11) .
C11 N3 C7 C8 0.3(9) .
C11 N3 C7 N1 -179.8(6) .
C15 N1 C7 N3 -5.6(10) .
C1 N1 C7 N3 169.0(6) .
C15 N1 C7 C8 174.3(7) .
C1 N1 C7 C8 -11.1(9) .
N3 C7 C8 C9 -2.6(10) .
N1 C7 C8 C9 177.5(6) .
C7 C8 C9 C10 3.0(11) .
C8 C9 C10 C11 -1.0(11) .
C7 N3 C11 C10 2.0(10) .
C7 N3 C11 N4 -179.2(6) .
C9 C10 C11 N3 -1.7(11) .
C9 C10 C11 N4 179.6(7) .
N5 N4 C11 N3 -172.9(6) .
C14 N4 C11 N3 10.8(10) .
N5 N4 C11 C10 6.0(10) .
C14 N4 C11 C10 -170.4(7) .
N4 N5 C12 C13 -0.5(10) .
N5 C12 C13 C14 0.6(12) .
N5 N4 C14 C13 0.2(9) .
C11 N4 C14 C13 176.8(7) .
C12 C13 C14 N4 -0.5(10) .
C19 N6 C15 C16 0.5(10) .
C19 N6 C15 N1 -177.5(6) .
C7 N1 C15 N6 -177.4(6) .
C1 N1 C15 N6 8.0(9) .
C7 N1 C15 C16 4.8(12) .
C1 N1 C15 C16 -169.8(8) .
N6 C15 C16 C17 -0.5(13) .
N1 C15 C16 C17 177.1(8) .
C15 C16 C17 C18 -1.3(15) .
C16 C17 C18 C19 2.9(13) .
C15 N6 C19 C18 1.4(10) .
C15 N6 C19 N7 -178.4(6) .
C17 C18 C19 N6 -3.1(11) .
C17 C18 C19 N7 176.7(7) .
N8 N7 C19 N6 -175.5(6) .
C22 N7 C19 N6 11.1(10) .
N8 N7 C19 C18 4.7(10) .
C22 N7 C19 C18 -168.7(8) .
N7 N8 C20 C21 -1.2(11) .
N8 C20 C21 C22 2.1(12) .
C20 C21 C22 N7 -2.1(11) .
N8 N7 C22 C21 1.5(10) .
C19 N7 C22 C21 175.5(7) .
C27 N9 C23 C24 -4.1(12) .
Cd1 N9 C23 C24 154.2(7) .
N9 C23 C24 C25 -0.6(13) .
C23 C24 C25 C26 2.5(11) .
C23 C24 C25 N2 -172.6(7) .
C30 N2 C25 C26 4.7(10) .
C4 N2 C25 C26 -161.8(6) .
C30 N2 C25 C24 179.3(7) .
C4 N2 C25 C24 12.9(9) .
C24 C25 C26 C27 0.2(10) .
N2 C25 C26 C27 175.1(6) .
C23 N9 C27 C26 7.1(11) .
Cd1 N9 C27 C26 -151.6(6) .
C25 C26 C27 N9 -5.4(11) .
C32 N10 C28 C29 1.0(9) .
Cd1 N10 C28 C29 156.3(5) 1_556
N10 C28 C29 C30 -3.2(10) .
C28 C29 C30 C31 4.6(9) .
C28 C29 C30 N2 -176.2(6) .
C25 N2 C30 C29 43.5(9) .
C4 N2 C30 C29 -149.9(6) .
C25 N2 C30 C31 -137.4(7) .
C4 N2 C30 C31 29.3(9) .
C29 C30 C31 C32 -4.1(9) .
N2 C30 C31 C32 176.7(6) .
C28 N10 C32 C31 -0.5(10) .
Cd1 N10 C32 C31 -156.0(5) 1_556
C30 C31 C32 N10 2.2(10) .
