#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (dom 14 de feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/25/4502520.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_4502520
loop_
_publ_author_name
'Bai, Hong-Ye'
'Ma, Jian-Fang'
'Yang, Jin'
'Liu, Ying-Ying'
Hua-Wu,
'Ma, Ji-Cheng'
_publ_section_title
;
 Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination
 Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              995
_journal_paper_doi               10.1021/cg901332m
_journal_volume                  10
_journal_year                    2010
_chemical_formula_moiety         'C35 H26 Cd3 N8 O12, 4(O0.50), 3(H2 O)'
_chemical_formula_sum            'C35 H32 Cd3 N8 O16'
_chemical_formula_weight         1157.89
_chemical_name_systematic
;
 ?
;
_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                 105.803(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2268(4)
_cell_length_b                   23.7126(11)
_cell_length_c                   17.4281(8)
_cell_measurement_reflns_used    4755
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.3
_cell_measurement_theta_min      4.1
_cell_volume                     4066.6(3)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.857
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_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  0.0289
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9963
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.26
_diffrn_reflns_theta_min         4.14
_exptl_absorpt_coefficient_mu    1.637
_exptl_absorpt_correction_T_max  0.7147
_exptl_absorpt_correction_T_min  0.6482
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.891
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2280
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.950
_refine_diff_density_min         -0.543
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     393
_refine_ls_number_reflns         4755
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0365
_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)+(0.0488P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0822
_refine_ls_wR_factor_ref         0.0864
_reflns_number_gt                3483
_reflns_number_total             4755
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg901332m_si_002.cif
_cod_data_source_block           Compound-9
_cod_original_sg_symbol_Hall     '-C 2yc '
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4502520
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_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 0.5000 0.024651(17) 0.7500 0.02627(11) Uani 1 2 d S
Cd2 Cd 0.88627(2) 0.122220(13) 0.827218(16) 0.02933(10) Uani 1 1 d .
C1' C 0.3751(10) 0.3888(4) 0.7858(7) 0.039(2) Uani 0.50 1 d P
C1 C 0.3864(10) 0.3855(5) 0.7411(8) 0.043(3) Uani 0.50 1 d P
C2 C 0.5034(6) 0.4469(3) 0.8913(5) 0.079(2) Uani 1 1 d .
C3 C 0.5078(6) 0.5028(3) 0.9032(4) 0.0687(17) Uani 1 1 d .
C4 C 0.3796(4) 0.4897(2) 0.7808(4) 0.0605(16) Uani 1 1 d .
C5 C 0.4902(10) 0.3512(3) 0.7703(5) 0.032(2) Uani 0.50 1 d P
C6' C 0.5388(11) 0.3122(4) 0.8460(7) 0.049(3) Uani 0.50 1 d P
C6 C 0.5696(10) 0.3149(5) 0.8057(7) 0.048(2) Uani 0.50 1 d P
C7 C 0.6914(5) 0.2291(2) 0.8092(3) 0.0629(15) Uani 1 1 d .
C8 C 0.8285(10) 0.3045(4) 0.8273(9) 0.064(3) Uani 0.50 1 d P
C8' C 0.7960(12) 0.2989(5) 0.8920(10) 0.079(4) Uani 0.50 1 d P
C9 C 0.9069(10) 0.2580(5) 0.8309(8) 0.056(3) Uani 0.50 1 d P
C9' C 0.8777(12) 0.2570(5) 0.8852(10) 0.072(4) Uani 0.50 1 d P
C10 C 0.4901(4) 0.03901(17) 1.1215(2) 0.0280(8) Uani 1 1 d .
C11 C 0.4718(3) 0.06881(17) 1.0437(2) 0.0264(8) Uani 1 1 d .
C12 C 0.5781(3) 0.07372(17) 1.0077(2) 0.0261(8) Uani 1 1 d .
H12 H 0.6653 0.0624 1.0353 0.031 Uiso 1 1 calc R
C13 C 0.5543(3) 0.09526(17) 0.9314(2) 0.0258(8) Uani 1 1 d .
C14 C 0.6682(3) 0.09984(16) 0.8929(2) 0.0243(8) Uani 1 1 d .
C15 C 0.4251(3) 0.11293(16) 0.8900(2) 0.0270(8) Uani 1 1 d .
H15 H 0.4090 0.1265 0.8382 0.032 Uiso 1 1 calc R
C16 C 0.3192(3) 0.11038(17) 0.9263(2) 0.0281(8) Uani 1 1 d .
C17 C 0.3436(3) 0.08803(18) 1.0023(2) 0.0305(9) Uani 1 1 d .
H17 H 0.2728 0.0859 1.0262 0.037 Uiso 1 1 calc R
C18 C 0.1762(4) 0.1270(2) 0.8813(2) 0.0359(10) Uani 1 1 d .
N1' N 0.4192(12) 0.4403(5) 0.8312(7) 0.035(3) Uani 0.50 1 d P
N1 N 0.4231(12) 0.4361(5) 0.7956(7) 0.035(3) Uani 0.50 1 d P
N2' N 0.4352(14) 0.5320(6) 0.8459(6) 0.030(3) Uani 0.50 1 d PU
N2 N 0.4229(12) 0.5267(6) 0.8221(7) 0.036(3) Uani 0.50 1 d P
N3 N 0.8305(15) 0.2091(7) 0.8137(9) 0.036(3) Uani 0.50 1 d P
N3' N 0.8075(15) 0.2151(7) 0.8382(9) 0.039(3) Uani 0.50 1 d P
N4' N 0.6671(8) 0.2816(4) 0.8493(6) 0.0435(19) Uani 0.50 1 d P
N4 N 0.6939(8) 0.2844(3) 0.8052(6) 0.0405(19) Uani 0.50 1 d P
O1 O 0.3881(3) 0.03369(14) 1.14794(17) 0.0423(7) Uani 1 1 d .
O2 O 0.6034(3) 0.01923(15) 1.15774(16) 0.0465(8) Uani 1 1 d .
O1W' O 1.1370(19) 0.2193(12) 1.0233(12) 0.149(8) Uani 0.50 1 d P
O1W O 1.1937(17) 0.2101(10) 1.0619(9) 0.113(5) Uani 0.50 1 d P
O3 O 0.7847(2) 0.11002(13) 0.93537(15) 0.0364(7) Uani 1 1 d .
O2W O 0.6388(12) 0.2854(6) 0.9815(6) 0.124(4) Uani 0.50 1 d P
O4 O 0.6410(2) 0.09561(12) 0.81709(14) 0.0271(6) Uani 1 1 d .
O3W O 1.276(2) 0.2274(9) 1.1694(11) 0.118(8) Uani 0.25 1 d P
O4W O 1.398(3) 0.1512(15) 1.2101(18) 0.161(10) Uani 0.25 1 d PU
O5 O 0.0923(3) 0.13548(15) 0.92080(18) 0.0454(8) Uani 1 1 d .
O6 O 0.153(2) 0.1393(7) 0.8077(14) 0.043(4) Uani 0.50 1 d P
O6' O 0.136(2) 0.1192(7) 0.8076(12) 0.041(4) Uani 0.50 1 d P
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
O1 Cd1 O1 105.95(17) 6 5_657
O1 Cd1 O4 159.90(9) 6 .
O1 Cd1 O4 86.34(10) 5_657 .
O1 Cd1 O4 86.34(10) 6 2_656
O1 Cd1 O4 159.90(9) 5_657 2_656
O4 Cd1 O4 86.77(13) . 2_656
O1 Cd1 O2 55.62(9) 6 6
O1 Cd1 O2 92.31(11) 5_657 6
O4 Cd1 O2 109.11(9) . 6
O4 Cd1 O2 107.79(10) 2_656 6
O1 Cd1 O2 92.31(11) 6 5_657
O1 Cd1 O2 55.62(9) 5_657 5_657
O4 Cd1 O2 107.79(10) . 5_657
O4 Cd1 O2 109.11(9) 2_656 5_657
O2 Cd1 O2 128.38(17) 6 5_657
O1 Cd1 C10 27.92(10) 6 6
O1 Cd1 C10 101.84(12) 5_657 6
O4 Cd1 C10 135.07(10) . 6
O4 Cd1 C10 96.37(10) 2_656 6
O2 Cd1 C10 27.79(10) 6 6
O2 Cd1 C10 113.21(12) 5_657 6
O1 Cd1 C10 101.84(12) 6 5_657
O1 Cd1 C10 27.92(10) 5_657 5_657
O4 Cd1 C10 96.37(10) . 5_657
O4 Cd1 C10 135.07(10) 2_656 5_657
O2 Cd1 C10 113.21(12) 6 5_657
O2 Cd1 C10 27.79(10) 5_657 5_657
C10 Cd1 C10 111.42(17) 6 5_657
N3 Cd2 N2' 176.4(5) . 3_545
N3 Cd2 O6' 88.2(5) . 2_656
N2' Cd2 O6' 94.4(4) 3_545 2_656
N3 Cd2 N2 170.9(6) . 3_545
N2' Cd2 N2 10.4(4) 3_545 3_545
O6' Cd2 N2 84.4(5) 2_656 3_545
N3 Cd2 O5 96.4(5) . 1_655
N2' Cd2 O5 84.3(3) 3_545 1_655
O6' Cd2 O5 123.0(6) 2_656 1_655
N2 Cd2 O5 92.0(3) 3_545 1_655
N3 Cd2 O6 75.6(5) . 2_656
N2' Cd2 O6 106.9(5) 3_545 2_656
O6' Cd2 O6 12.6(6) 2_656 2_656
N2 Cd2 O6 96.8(5) 3_545 2_656
O5 Cd2 O6 124.5(6) 1_655 2_656
N3 Cd2 N3' 12.9(5) . .
N2' Cd2 N3' 163.6(5) 3_545 .
O6' Cd2 N3' 99.8(5) 2_656 .
N2 Cd2 N3' 168.5(4) 3_545 .
O5 Cd2 N3' 94.7(4) 1_655 .
O6 Cd2 N3' 87.2(5) 2_656 .
N3 Cd2 O3 92.5(3) . .
N2' Cd2 O3 84.1(3) 3_545 .
O6' Cd2 O3 148.5(6) 2_656 .
N2 Cd2 O3 91.2(3) 3_545 .
O5 Cd2 O3 88.20(9) 1_655 .
O6 Cd2 O3 145.7(5) 2_656 .
N3' Cd2 O3 79.6(3) . .
N3 Cd2 O4 90.2(4) . .
N2' Cd2 O4 87.1(4) 3_545 .
O6' Cd2 O4 95.7(6) 2_656 .
N2 Cd2 O4 85.5(3) 3_545 .
O5 Cd2 O4 140.84(9) 1_655 .
O6 Cd2 O4 94.5(5) 2_656 .
N3' Cd2 O4 83.4(4) . .
O3 Cd2 O4 52.89(8) . .
C1 C1' N1 93.7(15) . .
C1 C1' N1' 119.5(15) . .
N1 C1' N1' 25.8(6) . .
C1 C1' C5 58.2(12) . .
N1 C1' C5 104.8(9) . .
N1' C1' C5 115.9(8) . .
C1' C1 C5 90.0(14) . .
C1' C1 N1 53.4(11) . .
C5 C1 N1 102.1(9) . .
C1' C1 C5 119.9(15) . 2_656
C5 C1 C5 30.2(6) . 2_656
N1 C1 C5 115.0(8) . 2_656
C1' C1 C6 125.6(15) . 2_656
C5 C1 C6 52.1(6) . 2_656
N1 C1 C6 152.8(9) . 2_656
C5 C1 C6 38.6(5) 2_656 2_656
N1' C2 C3 104.8(8) . .
N1' C2 N1 16.7(7) . .
C3 C2 N1 107.1(7) . .
N2' C3 C2 115.5(9) . .
N2' C3 N2 12.9(9) . .
C2 C3 N2 103.6(7) . .
N2 C4 N1 123.5(9) . .
N2 C4 N1' 104.0(8) . .
N1 C4 N1' 26.1(4) . .
N2 C4 N2' 9.3(9) . .
N1 C4 N2' 116.6(9) . .
N1' C4 N2' 95.5(8) . .
C5 C5 C6 99.0(13) 2_656 .
C5 C5 C1 91.7(14) 2_656 .
C6 C5 C1 167.1(10) . .
C5 C5 C6 51.1(11) 2_656 2_656
C6 C5 C6 95.4(11) . 2_656
C1 C5 C6 85.7(9) . 2_656
C5 C5 C1 58.1(12) 2_656 2_656
C6 C5 C1 89.0(9) . 2_656
C1 C5 C1 102.9(9) . 2_656
C6 C5 C1 108.9(7) 2_656 2_656
C5 C5 C1' 123.1(14) 2_656 .
C6 C5 C1' 137.8(9) . .
C1 C5 C1' 31.8(5) . .
C6 C5 C1' 108.9(9) 2_656 .
C1 C5 C1' 113.5(7) 2_656 .
C5 C5 C6' 130.8(12) 2_656 .
C6 C5 C6' 32.2(6) . .
C1 C5 C6' 135.9(8) . .
C6 C5 C6' 110.5(8) 2_656 .
C1 C5 C6' 109.3(8) 2_656 .
C1' C5 C6' 105.7(7) . .
C6 C6' N4' 63.0(11) . .
C6 C6' C5 50.5(10) . .
N4' C6' C5 113.1(9) . .
C6' C6 C5 97.3(12) . .
C6' C6 N4' 82.6(13) . .
C5 C6 N4' 171.9(12) . .
C6' C6 N4 119.0(14) . .
C5 C6 N4 143.1(11) . .
N4' C6 N4 36.5(5) . .
C6' C6 C5 126.8(13) . 2_656
C5 C6 C5 29.8(6) . 2_656
N4' C6 C5 150.5(10) . 2_656
N4 C6 C5 114.2(9) . 2_656
C6' C6 C1 126.0(14) . 2_656
C5 C6 C1 52.4(7) . 2_656
N4' C6 C1 121.4(8) . 2_656
N4 C6 C1 97.0(7) . 2_656
C5 C6 C1 42.2(6) 2_656 2_656
N3' C7 N4 105.5(10) . .
N3' C7 N3 20.9(10) . .
N4 C7 N3 106.9(9) . .
N3' C7 N4' 107.9(9) . .
N4 C7 N4' 36.3(4) . .
N3 C7 N4' 121.7(8) . .
C8' C8 C9 99.7(12) . .
C8' C8 N4 74.5(10) . .
C9 C8 N4 105.0(9) . .
C8' C8 C9' 56.3(10) . .
C9 C8 C9' 43.5(7) . .
N4 C8 C9' 93.0(9) . .
C8' C8 N4' 47.8(7) . .
C9 C8 N4' 107.3(9) . .
N4 C8 N4' 26.8(5) . .
C9' C8 N4' 78.3(9) . .
C8 C8' C9' 71.0(12) . .
C8 C8' N4' 89.7(11) . .
C9' C8' N4' 105.1(10) . .
C8 C8' N4 56.7(8) . .
C9' C8' N4 91.1(10) . .
N4' C8' N4 33.0(5) . .
C8 C8' C9 41.7(7) . .
C9' C8' C9 29.3(9) . .
N4' C8' C9 99.5(9) . .
N4 C8' C9 73.5(8) . .
C9' C9 C8 75.8(13) . .
C9' C9 N3 84.0(11) . .
C8 C9 N3 112.3(10) . .
C9' C9 N3' 62.6(10) . .
C8 C9 N3' 98.8(10) . .
N3 C9 N3' 22.3(6) . .
C9' C9 C8' 37.3(9) . .
C8 C9 C8' 38.5(8) . .
N3 C9 C8' 98.8(8) . .
N3' C9 C8' 77.5(8) . .
C9 C9' C8' 113.4(16) . .
C9 C9' N3' 73.2(12) . .
C8' C9' N3' 111.1(11) . .
C9 C9' C8 60.7(12) . .
C8' C9' C8 52.8(9) . .
N3' C9' C8 96.7(13) . .
C9 C9' N3 56.2(10) . .
C8' C9' N3 121.3(11) . .
N3' C9' N3 18.2(8) . .
C8 C9' N3 91.8(12) . .
O2 C10 O1 121.7(3) . .
O2 C10 C11 120.4(3) . .
O1 C10 C11 117.9(3) . .
O2 C10 Cd1 63.1(2) . 5_657
O1 C10 Cd1 58.88(19) . 5_657
C11 C10 Cd1 172.4(3) . 5_657
C17 C11 C12 118.6(3) . .
C17 C11 C10 119.6(3) . .
C12 C11 C10 121.6(3) . .
C13 C12 C11 120.4(3) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C12 C13 C15 120.3(3) . .
C12 C13 C14 120.2(3) . .
C15 C13 C14 119.5(3) . .
O3 C14 O4 122.3(3) . .
O3 C14 C13 118.9(3) . .
O4 C14 C13 118.7(3) . .
C13 C15 C16 119.9(3) . .
C13 C15 H15 120.1 . .
C16 C15 H15 120.1 . .
C17 C16 C15 119.4(3) . .
C17 C16 C18 119.5(3) . .
C15 C16 C18 121.0(3) . .
C16 C17 C11 121.4(3) . .
C16 C17 H17 119.3 . .
C11 C17 H17 119.3 . .
O6' C18 O5 120.4(11) . .
O6' C18 O6 23.1(10) . .
O5 C18 O6 123.2(11) . .
O6' C18 C16 119.6(11) . .
O5 C18 C16 117.9(3) . .
O6 C18 C16 118.1(10) . .
N1 N1' C2 132(2) . .
N1 N1' C4 68(2) . .
C2 N1' C4 116.7(10) . .
N1 N1' C1' 56(2) . .
C2 N1' C1' 129.9(12) . .
C4 N1' C1' 110.6(9) . .
N1' N1 C1' 99(2) . .
N1' N1 C4 86(2) . .
C1' N1 C4 137.9(11) . .
N1' N1 C1 132(2) . .
C1' N1 C1 32.9(7) . .
C4 N1 C1 128.0(10) . .
N1' N1 C2 31.8(18) . .
C1' N1 C2 110.7(10) . .
C4 N1 C2 95.3(8) . .
C1 N1 C2 136.2(10) . .
C3 N2' C4 104.3(11) . .
C3 N2' Cd2 134.9(9) . 3_455
C4 N2' Cd2 120.8(8) . 3_455
C4 N2 C3 108.4(9) . .
C4 N2 Cd2 137.7(8) . 3_455
C3 N2 Cd2 112.4(8) . 3_455
N3' N3 C9 87(4) . .
N3' N3 C7 50(3) . .
C9 N3 C7 102.8(11) . .
N3' N3 C9' 49(3) . .
C9 N3 C9' 39.9(7) . .
C7 N3 C9' 84.2(8) . .
N3' N3 Cd2 108(4) . .
C9 N3 Cd2 131.8(10) . .
C7 N3 Cd2 122.6(10) . .
C9' N3 Cd2 124.3(10) . .
N3 N3' C7 109(4) . .
N3 N3' C9' 112(4) . .
C7 N3' C9' 110.4(12) . .
N3 N3' C9 70(3) . .
C7 N3' C9 113.5(14) . .
C9' N3' C9 44.1(9) . .
N3 N3' Cd2 59(3) . .
C7 N3' Cd2 122.7(11) . .
C9' N3' Cd2 126.3(11) . .
C9 N3' Cd2 112.2(8) . .
N4 N4' C6 79.7(10) . .
N4 N4' C8' 88.3(12) . .
C6 N4' C8' 125.6(10) . .
N4 N4' C7 61.4(8) . .
C6 N4' C7 115.1(8) . .
C8' N4' C7 104.2(8) . .
N4 N4' C6' 114.1(11) . .
C6 N4' C6' 34.4(5) . .
C8' N4' C6' 125.1(9) . .
C7 N4' C6' 130.7(8) . .
N4 N4' C8 45.8(9) . .
C6 N4' C8 105.9(8) . .
C8' N4' C8 42.5(8) . .
C7 N4' C8 82.9(6) . .
C6' N4' C8 131.9(8) . .
N4' N4 C7 82.3(9) . .
N4' N4 C8 107.4(12) . .
C7 N4 C8 110.8(7) . .
N4' N4 C6 63.8(9) . .
C7 N4 C6 117.7(8) . .
C8 N4 C6 128.0(9) . .
N4' N4 C8' 58.7(10) . .
C7 N4 C8' 100.4(7) . .
C8 N4 C8' 48.8(7) . .
C6 N4 C8' 103.2(9) . .
C10 O1 Cd1 93.2(2) . 5_657
C10 O2 Cd1 89.1(2) . 5_657
C14 O3 Cd2 96.0(2) . .
C14 O4 Cd1 120.6(2) . .
C14 O4 Cd2 88.62(19) . .
Cd1 O4 Cd2 132.98(11) . .
C18 O5 Cd2 102.7(2) . 1_455
O6' O6 C18 76(5) . .
O6' O6 Cd2 82(5) . 2_656
C18 O6 Cd2 156.6(12) . 2_656
O6 O6' C18 81(5) . .
O6 O6' Cd2 85(5) . 2_656
C18 O6' Cd2 163.5(10) . 2_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1 2.298(3) 6
Cd1 O1 2.298(3) 5_657
Cd1 O4 2.315(3) .
Cd1 O4 2.315(3) 2_656
Cd1 O2 2.390(3) 6
Cd1 O2 2.390(3) 5_657
Cd2 N3 2.134(17) .
Cd2 N2 2.300(13) 3_545
Cd2 O5 2.308(3) 1_655
Cd2 O6 2.31(2) 2_656
Cd2 O3 2.405(3) .
Cd2 O4 2.545(2) .
C1' C1 0.822(12) .
C1' N1 1.216(15) .
C1' N1' 1.458(17) .
C1' C5 1.559(13) .
C1 C5 1.324(15) .
C1 N1 1.512(17) .
C1 C5 1.559(14) 2_656
C2 N1' 1.172(13) .
C2 C3 1.339(9) .
C2 N1 1.667(13) .
C3 N2' 1.274(14) .
C3 N2 1.551(12) .
C4 N2 1.145(15) .
C4 N1 1.349(13) .
C4 N1' 1.453(14) .
C4 N2' 1.506(13) .
C5 C5 0.785(14) 2_656
C5 C6 1.227(13) .
C5 C6 1.557(14) 2_656
C5 C1 1.559(14) 2_656
C5 C6' 1.577(14) .
C6' C6 0.847(12) .
C6' N4' 1.487(12) .
C6 N4' 1.336(13) .
C6 N4 1.465(13) .
C6 C5 1.557(14) 2_656
C7 N3' 1.203(17) .
C7 N4 1.314(10) .
C7 N3 1.481(14) .
C7 N4' 1.482(10) .
C8 C8' 1.267(18) .
C8 C9 1.354(16) .
C8 N4 1.409(13) .
C8 C9' 1.505(19) .
C8 N4' 1.875(15) .
C8' C9' 1.324(17) .
C8' N4' 1.388(13) .
C8' N4 1.624(16) .
C9 C9' 1.068(17) .
C9 N3 1.38(2) .
C9 N3' 1.47(2) .
C9' N3' 1.36(2) .
C9' N3 1.66(2) .
C10 O2 1.249(4) .
C10 O1 1.257(4) .
C10 C11 1.495(5) .
C10 Cd1 2.680(4) 5_657
C11 C17 1.390(5) .
C11 C12 1.400(5) .
C12 C13 1.383(5) .
C12 H12 0.9300 .
C13 C15 1.387(5) .
C13 C14 1.499(5) .
C14 O3 1.243(4) .
C14 O4 1.278(4) .
C15 C16 1.395(5) .
C15 H15 0.9300 .
C16 C17 1.386(5) .
C16 C18 1.511(5) .
C17 H17 0.9300 .
C18 O6' 1.25(2) .
C18 O5 1.254(5) .
C18 O6 1.27(2) .
N1' N1 0.641(10) .
N2' Cd2 2.200(15) 3_455
N2 Cd2 2.300(13) 3_455
N3 N3' 0.559(14) .
N4' N4 0.886(9) .
O1 Cd1 2.298(3) 5_657
O2 Cd1 2.390(3) 5_657
O1W' O1W 0.79(2) .
O5 Cd2 2.308(3) 1_455
O6 O6' 0.51(2) .
O6 Cd2 2.31(2) 2_656
O6' Cd2 2.30(2) 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_1
_geom_torsion_site_symmetry_4
N1 C1' C1 C5 105.2(9) . .
N1' C1' C1 C5 103.9(12) . .
N1' C1' C1 N1 -1.3(12) . .
C5 C1' C1 N1 -105.2(9) . .
N1 C1' C1 C5 100.4(13) . 2_656
N1' C1' C1 C5 99.1(16) . 2_656
C5 C1' C1 C5 -4.8(8) . 2_656
N1 C1' C1 C6 146.2(11) . 2_656
N1' C1' C1 C6 144.9(10) . 2_656
C5 C1' C1 C6 41.0(10) . 2_656
N1' C2 C3 N2' -6.9(11) . .
N1 C2 C3 N2' 10.4(10) . .
N1' C2 C3 N2 -12.2(9) . .
N1 C2 C3 N2 5.1(7) . .
C1' C1 C5 C5 -171.7(15) . 2_656
N1 C1 C5 C5 -119.3(12) . 2_656
C6 C1 C5 C5 50.8(10) 2_656 2_656
C1' C1 C5 C6 42(5) . .
N1 C1 C5 C6 94(5) . .
C5 C1 C5 C6 -146(5) 2_656 .
C6 C1 C5 C6 -95(5) 2_656 .
C1' C1 C5 C6 137.4(13) . 2_656
N1 C1 C5 C6 -170.1(8) . 2_656
C5 C1 C5 C6 -50.8(10) 2_656 2_656
C1' C1 C5 C1 -114.1(12) . 2_656
N1 C1 C5 C1 -61.7(6) . 2_656
C5 C1 C5 C1 57.6(9) 2_656 2_656
C6 C1 C5 C1 108.5(7) 2_656 2_656
N1 C1 C5 C1' 52.4(11) . .
C5 C1 C5 C1' 171.7(15) 2_656 .
C6 C1 C5 C1' -137.4(13) 2_656 .
C1' C1 C5 C6' 22.2(19) . .
N1 C1 C5 C6' 74.6(14) . .
C5 C1 C5 C6' -166.0(19) 2_656 .
C6 C1 C5 C6' -115.2(14) 2_656 .
C1 C1' C5 C5 9.9(19) . 2_656
N1 C1' C5 C5 -75.3(18) . 2_656
N1' C1' C5 C5 -100.1(18) . 2_656
C1 C1' C5 C6 -167.1(17) . .
N1 C1' C5 C6 107.7(15) . .
N1' C1' C5 C6 82.8(16) . .
N1 C1' C5 C1 -85.1(15) . .
N1' C1' C5 C1 -110.0(17) . .
C1 C1' C5 C6 -45.5(14) . 2_656
N1 C1' C5 C6 -130.6(10) . 2_656
N1' C1' C5 C6 -155.5(9) . 2_656
C1 C1' C5 C1 76.1(15) . 2_656
N1 C1' C5 C1 -9.1(12) . 2_656
N1' C1' C5 C1 -34.0(12) . 2_656
C1 C1' C5 C6' -164.1(14) . .
N1 C1' C5 C6' 110.7(10) . .
N1' C1' C5 C6' 85.9(11) . .
C5 C5 C6' C6 10(2) 2_656 .
C1 C5 C6' C6 171.8(17) . .
C6 C5 C6' C6 66.2(16) 2_656 .
C1 C5 C6' C6 -53.7(15) 2_656 .
C1' C5 C6' C6 -176.2(15) . .
C5 C5 C6' N4' 18(2) 2_656 .
C6 C5 C6' N4' 8.0(11) . .
C1 C5 C6' N4' 179.8(11) . .
C6 C5 C6' N4' 74.1(11) 2_656 .
C1 C5 C6' N4' -45.7(11) 2_656 .
C1' C5 C6' N4' -168.3(8) . .
N4' C6' C6 C5 -171.8(12) . .
C5 C6' C6 N4' 171.8(12) . .
N4' C6' C6 N4 1.5(10) . .
C5 C6' C6 N4 173.3(19) . .
N4' C6' C6 C5 -176.7(18) . 2_656
C5 C6' C6 C5 -4.9(10) . 2_656
N4' C6' C6 C1 -123.6(15) . 2_656
C5 C6' C6 C1 48.1(10) . 2_656
C5 C5 C6 C6' -172.0(17) 2_656 .
C1 C5 C6 C6' -26(5) . .
C6 C5 C6 C6' -120.6(14) 2_656 .
C1 C5 C6 C6' 130.5(14) 2_656 .
C1' C5 C6 C6' 5(2) . .
C5 C5 C6 N4' 100(9) 2_656 .
C1 C5 C6 N4' -115(9) . .
C6 C5 C6 N4' 151(9) 2_656 .
C1 C5 C6 N4' 42(9) 2_656 .
C1' C5 C6 N4' -83(9) . .
C6' C5 C6 N4' -88(9) . .
C5 C5 C6 N4 18(2) 2_656 .
C1 C5 C6 N4 163(4) . .
C6 C5 C6 N4 69.2(19) 2_656 .
C1 C5 C6 N4 -39.8(18) 2_656 .
C1' C5 C6 N4 -164.8(13) . .
C6' C5 C6 N4 -170(3) . .
C1 C5 C6 C5 146(6) . 2_656
C6 C5 C6 C5 51.4(11) 2_656 2_656
C1 C5 C6 C5 -57.5(12) 2_656 2_656
C1' C5 C6 C5 177(2) . 2_656
C6' C5 C6 C5 172.0(17) . 2_656
C5 C5 C6 C1 57.5(12) 2_656 2_656
C1 C5 C6 C1 -157(5) . 2_656
C6 C5 C6 C1 108.9(7) 2_656 2_656
C1' C5 C6 C1 -125.1(14) . 2_656
C6' C5 C6 C1 -130.5(14) . 2_656
C9 C8 C8' C9' 1.5(10) . .
N4 C8 C8' C9' 104.5(8) . .
N4' C8 C8' C9' 106.1(9) . .
C9 C8 C8' N4' -104.6(9) . .
N4 C8 C8' N4' -1.6(7) . .
C9' C8 C8' N4' -106.1(9) . .
C9 C8 C8' N4 -103.0(9) . .
C9' C8 C8' N4 -104.5(8) . .
N4' C8 C8' N4 1.6(7) . .
N4 C8 C8' C9 103.0(9) . .
C9' C8 C8' C9 -1.5(10) . .
N4' C8 C8' C9 104.6(9) . .
C8' C8 C9 C9' -1.8(12) . .
N4 C8 C9 C9' -78.2(14) . .
N4' C8 C9 C9' -50.4(12) . .
C8' C8 C9 N3 75.5(14) . .
N4 C8 C9 N3 -1.0(18) . .
C9' C8 C9 N3 77.2(13) . .
N4' C8 C9 N3 26.9(16) . .
C8' C8 C9 N3' 56.9(13) . .
N4 C8 C9 N3' -19.5(15) . .
C9' C8 C9 N3' 58.7(10) . .
N4' C8 C9 N3' 8.3(13) . .
N4 C8 C9 C8' -76.5(11) . .
C9' C8 C9 C8' 1.8(12) . .
N4' C8 C9 C8' -48.6(9) . .
C8 C8' C9 C9' 177.2(19) . .
N4' C8' C9 C9' -104.0(17) . .
N4 C8' C9 C9' -124.7(16) . .
C9' C8' C9 C8 -177.2(19) . .
N4' C8' C9 C8 78.8(11) . .
N4 C8' C9 C8 58.2(9) . .
C8 C8' C9 N3 -115.0(13) . .
C9' C8' C9 N3 67.8(15) . .
N4' C8' C9 N3 -36.2(13) . .
N4 C8' C9 N3 -56.9(11) . .
C8 C8' C9 N3' -122.0(13) . .
C9' C8' C9 N3' 60.8(14) . .
N4' C8' C9 N3' -43.2(12) . .
N4 C8' C9 N3' -63.8(10) . .
C8 C9 C9' C8' 1.8(12) . .
N3 C9 C9' C8' -113.1(13) . .
N3' C9 C9' C8' -106.2(13) . .
C8 C9 C9' N3' 108.0(10) . .
N3 C9 C9' N3' -6.8(14) . .
C8' C9 C9' N3' 106.2(13) . .
N3 C9 C9' C8 -114.9(9) . .
N3' C9 C9' C8 -108.0(10) . .
C8' C9 C9' C8 -1.8(12) . .
C8 C9 C9' N3 114.9(9) . .
N3' C9 C9' N3 6.8(14) . .
C8' C9 C9' N3 113.1(13) . .
C8 C8' C9' C9 -2.0(13) . .
N4' C8' C9' C9 82.4(18) . .
N4 C8' C9' C9 52.1(15) . .
C8 C8' C9' N3' -82.2(16) . .
N4' C8' C9' N3' 2(2) . .
N4 C8' C9' N3' -28.2(17) . .
C9 C8' C9' N3' -80.2(17) . .
N4' C8' C9' C8 84.4(12) . .
N4 C8' C9' C8 54.0(8) . .
C9 C8' C9' C8 2.0(14) . .
C8 C8' C9' N3 -65.5(16) . .
N4' C8' C9' N3 19(2) . .
N4 C8' C9' N3 -11.4(18) . .
C9 C8' C9' N3 -63.5(16) . .
C8' C8 C9' C9 177.9(14) . .
N4 C8 C9' C9 108.8(13) . .
N4' C8 C9' C9 131.3(11) . .
C9 C8 C9' C8' -177.9(14) . .
N4 C8 C9' C8' -69.1(10) . .
N4' C8 C9' C8' -46.6(8) . .
C8' C8 C9' N3' 111.4(12) . .
C9 C8 C9' N3' -66.5(12) . .
N4 C8 C9' N3' 42.3(13) . .
N4' C8 C9' N3' 64.8(10) . .
C8' C8 C9' N3 129.0(11) . .
C9 C8 C9' N3 -48.9(9) . .
N4 C8 C9' N3 59.8(11) . .
N4' C8 C9' N3 82.4(8) . .
O2 C10 C11 C17 176.8(4) . .
O1 C10 C11 C17 -1.8(6) . .
Cd1 C10 C11 C17 61(2) 5_657 .
O2 C10 C11 C12 2.4(6) . .
O1 C10 C11 C12 -176.3(4) . .
Cd1 C10 C11 C12 -113.0(19) 5_657 .
C17 C11 C12 C13 -2.5(6) . .
C10 C11 C12 C13 172.0(4) . .
C11 C12 C13 C15 0.9(6) . .
C11 C12 C13 C14 -179.4(3) . .
C12 C13 C14 O3 -33.2(5) . .
C15 C13 C14 O3 146.6(4) . .
C12 C13 C14 O4 149.9(4) . .
C15 C13 C14 O4 -30.3(5) . .
C12 C13 C15 C16 1.7(6) . .
C14 C13 C15 C16 -178.1(3) . .
C13 C15 C16 C17 -2.5(6) . .
C13 C15 C16 C18 -177.3(4) . .
C15 C16 C17 C11 0.9(6) . .
C18 C16 C17 C11 175.7(4) . .
C12 C11 C17 C16 1.6(6) . .
C10 C11 C17 C16 -173.0(4) . .
C17 C16 C18 O6' -143.2(8) . .
C15 C16 C18 O6' 31.5(9) . .
C17 C16 C18 O5 20.3(6) . .
C15 C16 C18 O5 -165.0(4) . .
C17 C16 C18 O6 -169.6(9) . .
C15 C16 C18 O6 5.1(10) . .
C3 C2 N1' N1 100(3) . .
C3 C2 N1' C4 17.1(11) . .
N1 C2 N1' C4 -83(3) . .
C3 C2 N1' C1' 175.9(11) . .
N1 C2 N1' C1' 76(3) . .
N2 C4 N1' N1 -142(2) . .
N2' C4 N1' N1 -146(2) . .
N2 C4 N1' C2 -15.1(12) . .
N1 C4 N1' C2 127(3) . .
N2' C4 N1' C2 -19.0(11) . .
N2 C4 N1' C1' -177.9(9) . .
N1 C4 N1' C1' -36.2(17) . .
N2' C4 N1' C1' 178.2(9) . .
C1 C1' N1' N1 3(3) . .
C5 C1' N1' N1 69(2) . .
C1 C1' N1' C2 -115.3(18) . .
N1 C1' N1' C2 -118(3) . .
C5 C1' N1' C2 -48.9(17) . .
C1 C1' N1' C4 44.5(18) . .
N1 C1' N1' C4 41.6(18) . .
C5 C1' N1' C4 111.0(10) . .
C2 N1' N1 C1' 116(3) . .
C4 N1' N1 C1' -137.9(13) . .
C2 N1' N1 C4 -107(3) . .
C1' N1' N1 C4 137.9(12) . .
C2 N1' N1 C1 114(3) . .
C4 N1' N1 C1 -140(3) . .
C1' N1' N1 C1 -1.9(17) . .
C4 N1' N1 C2 107(3) . .
C1' N1' N1 C2 -116(3) . .
C1 C1' N1 N1' -177(2) . .
C5 C1' N1 N1' -119(2) . .
C1 C1' N1 C4 88.7(18) . .
N1' C1' N1 C4 -94(2) . .
C5 C1' N1 C4 146.8(12) . .
N1' C1' N1 C1 177(2) . .
C5 C1' N1 C1 58.0(12) . .
C1 C1' N1 C2 -146.9(12) . .
N1' C1' N1 C2 30.5(17) . .
C5 C1' N1 C2 -88.9(10) . .
N2 C4 N1 N1' 46(2) . .
N2' C4 N1 N1' 39(2) . .
N2 C4 N1 C1' 144.8(15) . .
N1' C4 N1 C1' 99(3) . .
N2' C4 N1 C1' 137.6(15) . .
N2 C4 N1 C1 -171.7(11) . .
N1' C4 N1 C1 142(3) . .
N2' C4 N1 C1 -178.9(10) . .
N2 C4 N1 C2 15.7(11) . .
N1' C4 N1 C2 -30.4(17) . .
N2' C4 N1 C2 8.5(9) . .
C1' C1 N1 N1' 3(3) . .
C5 C1 N1 N1' -77(3) . .
C5 C1 N1 N1' -106(3) 2_656 .
C6 C1 N1 N1' -95(4) 2_656 .
C5 C1 N1 C1' -80.9(14) . .
C5 C1 N1 C1' -109.8(17) 2_656 .
C6 C1 N1 C1' -98(2) 2_656 .
C1' C1 N1 C4 -121.7(16) . .
C5 C1 N1 C4 157.4(9) . .
C5 C1 N1 C4 128.5(10) 2_656 .
C6 C1 N1 C4 140.2(17) 2_656 .
C1' C1 N1 C2 47.5(16) . .
C5 C1 N1 C2 -33.3(15) . .
C5 C1 N1 C2 -62.2(15) 2_656 .
C6 C1 N1 C2 -51(3) 2_656 .
C3 C2 N1 N1' -85(3) . .
N1' C2 N1 C1' -72(3) . .
C3 C2 N1 C1' -157.1(9) . .
N1' C2 N1 C4 74(3) . .
C3 C2 N1 C4 -10.9(7) . .
N1' C2 N1 C1 -98(4) . .
C3 C2 N1 C1 177.6(11) . .
C2 C3 N2' C4 -5.1(11) . .
N2 C3 N2' C4 19(4) . .
C2 C3 N2' Cd2 176.1(8) . 3_455
N2 C3 N2' Cd2 -160(5) . 3_455
N2 C4 N2' C3 -144(7) . .
N1 C4 N2' C3 -3.8(12) . .
N1' C4 N2' C3 12.3(10) . .
N2 C4 N2' Cd2 35(6) . 3_455
N1 C4 N2' Cd2 175.2(7) . 3_455
N1' C4 N2' Cd2 -168.6(8) . 3_455
N1 C4 N2 C3 -14.0(12) . .
N1' C4 N2 C3 5.1(10) . .
N2' C4 N2 C3 30(6) . .
N1 C4 N2 Cd2 -178.7(8) . 3_455
N1' C4 N2 Cd2 -159.7(10) . 3_455
N2' C4 N2 Cd2 -135(7) . 3_455
N2' C3 N2 C4 -155(5) . .
C2 C3 N2 C4 3.5(10) . .
N2' C3 N2 Cd2 14(4) . 3_455
C2 C3 N2 Cd2 172.5(5) . 3_455
C9' C9 N3 N3' 16(3) . .
C8 C9 N3 N3' -56(4) . .
C8' C9 N3 N3' -18(4) . .
C9' C9 N3 C7 64.4(12) . .
C8 C9 N3 C7 -7.6(16) . .
N3' C9 N3 C7 48(3) . .
C8' C9 N3 C7 30.0(11) . .
C8 C9 N3 C9' -71.9(14) . .
N3' C9 N3 C9' -16(4) . .
C8' C9 N3 C9' -34.3(9) . .
C9' C9 N3 Cd2 -96.3(14) . .
C8 C9 N3 Cd2 -168.2(11) . .
N3' C9 N3 Cd2 -112(4) . .
C8' C9 N3 Cd2 -130.6(10) . .
N4 C7 N3 N3' 89(4) . .
N4' C7 N3 N3' 53(4) . .
N3' C7 N3 C9 -76(4) . .
N4 C7 N3 C9 13.8(12) . .
N4' C7 N3 C9 -22.8(14) . .
N3' C7 N3 C9' -40(4) . .
N4 C7 N3 C9' 49.3(10) . .
N4' C7 N3 C9' 12.7(13) . .
N3' C7 N3 Cd2 87(4) . .
N4 C7 N3 Cd2 176.8(8) . .
N4' C7 N3 Cd2 140.1(8) . .
C9 C9' N3 N3' -159(5) . .
C8' C9' N3 N3' -60(5) . .
C8 C9' N3 N3' -106(4) . .
C8' C9' N3 C9 99(2) . .
N3' C9' N3 C9 159(5) . .
C8 C9' N3 C9 52.3(11) . .
C9 C9' N3 C7 -117.9(13) . .
C8' C9' N3 C7 -19.1(19) . .
N3' C9' N3 C7 41(4) . .
C8 C9' N3 C7 -65.5(10) . .
C9 C9' N3 Cd2 116.2(13) . .
C8' C9' N3 Cd2 -145.0(14) . .
N3' C9' N3 Cd2 -85(4) . .
C8 C9' N3 Cd2 168.6(9) . .
N2' Cd2 N3 N3' 18(12) 3_545 .
O6' Cd2 N3 N3' 154(4) 2_656 .
N2 Cd2 N3 N3' 120(3) 3_545 .
O5 Cd2 N3 N3' -83(4) 1_655 .
O6 Cd2 N3 N3' 153(4) 2_656 .
O3 Cd2 N3 N3' 6(4) . .
O4 Cd2 N3 N3' 58(4) . .
N2' Cd2 N3 C9 122(9) 3_545 .
O6' Cd2 N3 C9 -102.6(14) 2_656 .
N2 Cd2 N3 C9 -137(3) 3_545 .
O5 Cd2 N3 C9 20.4(13) 1_655 .
O6 Cd2 N3 C9 -103.6(14) 2_656 .
N3' Cd2 N3 C9 103(4) . .
O3 Cd2 N3 C9 108.9(13) . .
O4 Cd2 N3 C9 161.7(13) . .
N2' Cd2 N3 C7 -36(10) 3_545 .
O6' Cd2 N3 C7 100.0(11) 2_656 .
N2 Cd2 N3 C7 66(3) 3_545 .
O5 Cd2 N3 C7 -137.0(9) 1_655 .
O6 Cd2 N3 C7 98.9(11) 2_656 .
N3' Cd2 N3 C7 -54(3) . .
O3 Cd2 N3 C7 -48.6(10) . .
O4 Cd2 N3 C7 4.3(10) . .
N2' Cd2 N3 C9' 71(9) 3_545 .
O6' Cd2 N3 C9' -153.1(12) 2_656 .
N2 Cd2 N3 C9' 172(2) 3_545 .
O5 Cd2 N3 C9' -30.0(11) 1_655 .
O6 Cd2 N3 C9' -154.1(13) 2_656 .
N3' Cd2 N3 C9' 53(3) . .
O3 Cd2 N3 C9' 58.4(11) . .
O4 Cd2 N3 C9' 111.3(11) . .
C9 N3 N3' C7 109(2) . .
C9' N3 N3' C7 123(4) . .
Cd2 N3 N3' C7 -118(2) . .
C9 N3 N3' C9' -14(3) . .
C7 N3 N3' C9' -123(4) . .
Cd2 N3 N3' C9' 120(2) . .
C7 N3 N3' C9 -109(2) . .
C9' N3 N3' C9 14(3) . .
Cd2 N3 N3' C9 133(2) . .
C9 N3 N3' Cd2 -133(2) . .
C7 N3 N3' Cd2 118(2) . .
C9' N3 N3' Cd2 -120(2) . .
N4 C7 N3' N3 -97(4) . .
N4' C7 N3' N3 -135(4) . .
N4 C7 N3' C9' 27.0(16) . .
N3 C7 N3' C9' 124(5) . .
N4' C7 N3' C9' -10.9(16) . .
N4 C7 N3' C9 -20.7(14) . .
N3 C7 N3' C9 76(4) . .
N4' C7 N3' C9 -58.6(13) . .
N4 C7 N3' Cd2 -161.1(8) . .
N3 C7 N3' Cd2 -64(4) . .
N4' C7 N3' Cd2 161.0(8) . .
C9 C9' N3' N3 19(4) . .
C8' C9' N3' N3 128(4) . .
C8 C9' N3' N3 75(4) . .
C9 C9' N3' C7 -103.1(15) . .
C8' C9' N3' C7 6(2) . .
C8 C9' N3' C7 -46.5(16) . .
N3 C9' N3' C7 -122(5) . .
C8' C9' N3' C9 109.2(19) . .
C8 C9' N3' C9 56.6(12) . .
N3 C9' N3' C9 -19(4) . .
C9 C9' N3' Cd2 85.3(14) . .
C8' C9' N3' Cd2 -165.5(12) . .
C8 C9' N3' Cd2 141.9(11) . .
N3 C9' N3' Cd2 67(4) . .
C9' C9 N3' N3 -162(4) . .
C8 C9 N3' N3 129(4) . .
C8' C9 N3' N3 162(4) . .
C9' C9 N3' C7 95.6(13) . .
C8 C9 N3' C7 26.8(16) . .
N3 C9 N3' C7 -103(4) . .
C8' C9 N3' C7 59.1(11) . .
C8 C9 N3' C9' -68.9(13) . .
N3 C9 N3' C9' 162(4) . .
C8' C9 N3' C9' -36.6(9) . .
C9' C9 N3' Cd2 -119.8(13) . .
C8 C9 N3' Cd2 171.3(10) . .
N3 C9 N3' Cd2 42(3) . .
C8' C9 N3' Cd2 -156.3(10) . .
N2' Cd2 N3' N3 -176(3) 3_545 .
O6' Cd2 N3' N3 -26(4) 2_656 .
N2 Cd2 N3' N3 -137(3) 3_545 .
O5 Cd2 N3' N3 98(4) 1_655 .
O6 Cd2 N3' N3 -26(4) 2_656 .
O3 Cd2 N3' N3 -174(4) . .
O4 Cd2 N3' N3 -121(4) . .
N3 Cd2 N3' C7 93(4) . .
N2' Cd2 N3' C7 -83(2) 3_545 .
O6' Cd2 N3' C7 66.9(13) 2_656 .
N2 Cd2 N3' C7 -43(3) 3_545 .
O5 Cd2 N3' C7 -168.5(11) 1_655 .
O6 Cd2 N3' C7 67.1(12) 2_656 .
O3 Cd2 N3' C7 -81.1(11) . .
O4 Cd2 N3' C7 -27.8(11) . .
N3 Cd2 N3' C9' -96(4) . .
N2' Cd2 N3' C9' 88(2) 3_545 .
O6' Cd2 N3' C9' -122.5(15) 2_656 .
N2 Cd2 N3' C9' 127(2) 3_545 .
O5 Cd2 N3' C9' 2.1(15) 1_655 .
O6 Cd2 N3' C9' -122.3(15) 2_656 .
O3 Cd2 N3' C9' 89.4(14) . .
O4 Cd2 N3' C9' 142.8(15) . .
N3 Cd2 N3' C9 -48(3) . .
N2' Cd2 N3' C9 136.4(16) 3_545 .
O6' Cd2 N3' C9 -73.9(12) 2_656 .
N2 Cd2 N3' C9 176(2) 3_545 .
O5 Cd2 N3' C9 50.7(11) 1_655 .
O6 Cd2 N3' C9 -73.7(12) 2_656 .
O3 Cd2 N3' C9 138.0(11) . .
O4 Cd2 N3' C9 -168.6(11) . .
C6' C6 N4' N4 177.7(15) . .
C5 C6 N4' N4 -93(9) . .
C5 C6 N4' N4 -8(2) 2_656 .
C1 C6 N4' N4 -54.4(13) 2_656 .
C6' C6 N4' C8' -101.9(17) . .
C5 C6 N4' C8' -13(9) . .
N4 C6 N4' C8' 80.3(15) . .
C5 C6 N4' C8' 73(3) 2_656 .
C1 C6 N4' C8' 26.0(18) 2_656 .
C6' C6 N4' C7 126.2(13) . .
C5 C6 N4' C7 -144(8) . .
N4 C6 N4' C7 -51.5(9) . .
C5 C6 N4' C7 -59(2) 2_656 .
C1 C6 N4' C7 -105.9(10) 2_656 .
C5 C6 N4' C6' 89(9) . .
N4 C6 N4' C6' -177.7(15) . .
C5 C6 N4' C6' 175(3) 2_656 .
C1 C6 N4' C6' 127.9(17) 2_656 .
C6' C6 N4' C8 -144.3(13) . .
C5 C6 N4' C8 -55(9) . .
N4 C6 N4' C8 38.0(9) . .
C5 C6 N4' C8 30(2) 2_656 .
C1 C6 N4' C8 -16.4(13) 2_656 .
C8 C8' N4' N4 2.4(11) . .
C9' C8' N4' N4 -67.7(16) . .
C9 C8' N4' N4 -38.3(11) . .
C8 C8' N4' C6 -73.6(14) . .
C9' C8' N4' C6 -143.8(14) . .
N4 C8' N4' C6 -76.0(14) . .
C9 C8' N4' C6 -114.3(11) . .
C8 C8' N4' C7 62.4(10) . .
C9' C8' N4' C7 -7.8(17) . .
N4 C8' N4' C7 59.9(9) . .
C9 C8' N4' C7 21.6(10) . .
C8 C8' N4' C6' -116.1(12) . .
C9' C8' N4' C6' 173.7(13) . .
N4 C8' N4' C6' -118.6(15) . .
C9 C8' N4' C6' -156.9(9) . .
C9' C8' N4' C8 -70.2(14) . .
N4 C8' N4' C8 -2.4(12) . .
C9 C8' N4' C8 -40.8(7) . .
N3' C7 N4' N4 92.0(12) . .
N3 C7 N4' N4 74.6(12) . .
N3' C7 N4' C6 153.3(11) . .
N4 C7 N4' C6 61.3(10) . .
N3 C7 N4' C6 135.9(11) . .
N3' C7 N4' C8' 11.9(14) . .
N4 C7 N4' C8' -80.1(12) . .
N3 C7 N4' C8' -5.5(14) . .
N3' C7 N4' C6' -169.7(12) . .
N4 C7 N4' C6' 98.3(13) . .
N3 C7 N4' C6' 172.9(11) . .
N3' C7 N4' C8 49.0(10) . .
N4 C7 N4' C8 -42.9(8) . .
N3 C7 N4' C8 31.7(10) . .
C6 C6' N4' N4 -2.5(17) . .
C5 C6' N4' N4 -9.3(15) . .
C5 C6' N4' C6 -6.9(10) . .
C6 C6' N4' C8' 103.5(17) . .
C5 C6' N4' C8' 96.6(15) . .
C6 C6' N4' C7 -74.6(16) . .
C5 C6' N4' C7 -81.5(13) . .
C6 C6' N4' C8 48.9(17) . .
C5 C6' N4' C8 42.0(15) . .
C8' C8 N4' N4 -176.6(16) . .
C9 C8 N4' N4 -89.1(15) . .
C9' C8 N4' N4 -121.9(14) . .
C8' C8 N4' C6 125.9(12) . .
C9 C8 N4' C6 -146.7(11) . .
N4 C8 N4' C6 -57.6(11) . .
C9' C8 N4' C6 -179.5(10) . .
C9 C8 N4' C8' 87.5(13) . .
N4 C8 N4' C8' 176.6(16) . .
C9' C8 N4' C8' 54.7(10) . .
C8' C8 N4' C7 -120.0(10) . .
C9 C8 N4' C7 -32.6(11) . .
N4 C8 N4' C7 56.6(10) . .
C9' C8 N4' C7 -65.4(8) . .
C8' C8 N4' C6' 99.6(14) . .
C9 C8 N4' C6' -172.9(11) . .
N4 C8 N4' C6' -83.8(14) . .
C9' C8 N4' C6' 154.3(12) . .
C6 N4' N4 C7 -126.1(7) . .
C8' N4' N4 C7 107.2(7) . .
C6' N4' N4 C7 -124.7(9) . .
C8 N4' N4 C7 109.5(9) . .
C6 N4' N4 C8 124.4(9) . .
C8' N4' N4 C8 -2.3(11) . .
C7 N4' N4 C8 -109.5(8) . .
C6' N4' N4 C8 125.8(9) . .
C8' N4' N4 C6 -126.7(9) . .
C7 N4' N4 C6 126.1(7) . .
C6' N4' N4 C6 1.4(9) . .
C8 N4' N4 C6 -124.4(9) . .
C6 N4' N4 C8' 126.7(9) . .
C7 N4' N4 C8' -107.2(7) . .
C6' N4' N4 C8' 128.1(12) . .
C8 N4' N4 C8' 2.3(11) . .
N3' C7 N4 N4' -99.3(11) . .
N3 C7 N4 N4' -121.0(10) . .
N3' C7 N4 C8 6.5(13) . .
N3 C7 N4 C8 -15.3(12) . .
N4' C7 N4 C8 105.7(13) . .
N3' C7 N4 C6 -154.2(11) . .
N3 C7 N4 C6 -176.0(10) . .
N4' C7 N4 C6 -54.9(9) . .
N3' C7 N4 C8' -43.2(11) . .
N3 C7 N4 C8' -65.0(10) . .
N4' C7 N4 C8' 56.1(10) . .
C8' C8 N4 N4' 2.6(12) . .
C9 C8 N4 N4' 98.8(15) . .
C9' C8 N4 N4' 56.4(14) . .
C8' C8 N4 C7 -85.6(10) . .
C9 C8 N4 C7 10.6(15) . .
C9' C8 N4 C7 -31.8(13) . .
N4' C8 N4 C7 -88.2(12) . .
C8' C8 N4 C6 72.6(13) . .
C9 C8 N4 C6 168.8(12) . .
C9' C8 N4 C6 126.3(12) . .
N4' C8 N4 C6 70.0(14) . .
C9 C8 N4 C8' 96.2(13) . .
C9' C8 N4 C8' 53.7(10) . .
N4' C8 N4 C8' -2.6(12) . .
C6' C6 N4 N4' -2.6(17) . .
C5 C6 N4 N4' 166(2) . .
C5 C6 N4 N4' 175.9(12) 2_656 .
C1 C6 N4 N4' 135.6(11) 2_656 .
C6' C6 N4 C7 62.1(19) . .
C5 C6 N4 C7 -129.0(16) . .
N4' C6 N4 C7 64.7(10) . .
C5 C6 N4 C7 -119.4(9) 2_656 .
C1 C6 N4 C7 -159.7(8) 2_656 .
C6' C6 N4 C8 -95(2) . .
C5 C6 N4 C8 74(2) . .
N4' C6 N4 C8 -92.2(15) . .
C5 C6 N4 C8 83.7(15) 2_656 .
C1 C6 N4 C8 43.5(14) 2_656 .
C6' C6 N4 C8' -47.3(19) . .
C5 C6 N4 C8' 121.7(18) . .
N4' C6 N4 C8' -44.7(10) . .
C5 C6 N4 C8' 131.2(10) 2_656 .
C1 C6 N4 C8' 90.9(9) 2_656 .
C8 C8' N4 N4' -177.1(14) . .
C9' C8' N4 N4' 116.6(15) . .
C9 C8' N4 N4' 140.4(11) . .
C8 C8' N4 C7 108.7(9) . .
C9' C8' N4 C7 42.4(13) . .
N4' C8' N4 C7 -74.3(10) . .
C9 C8' N4 C7 66.1(7) . .
C9' C8' N4 C8 -66.3(12) . .
N4' C8' N4 C8 177.1(14) . .
C9 C8' N4 C8 -42.6(7) . .
C8 C8' N4 C6 -129.4(10) . .
C9' C8' N4 C6 164.3(12) . .
N4' C8' N4 C6 47.6(10) . .
C9 C8' N4 C6 -172.0(8) . .
O2 C10 O1 Cd1 -6.5(4) . 5_657
C11 C10 O1 Cd1 172.0(3) . 5_657
O1 C10 O2 Cd1 6.3(4) . 5_657
C11 C10 O2 Cd1 -172.3(3) . 5_657
O4 C14 O3 Cd2 4.1(4) . .
C13 C14 O3 Cd2 -172.7(3) . .
N3 Cd2 O3 C14 86.2(5) . .
N2' Cd2 O3 C14 -93.1(4) 3_545 .
O6' Cd2 O3 C14 -4.4(7) 2_656 .
N2 Cd2 O3 C14 -85.6(4) 3_545 .
O5 Cd2 O3 C14 -177.5(2) 1_655 .
O6 Cd2 O3 C14 18.4(8) 2_656 .
N3' Cd2 O3 C14 87.4(5) . .
O4 Cd2 O3 C14 -2.2(2) . .
O3 C14 O4 Cd1 137.2(3) . .
C13 C14 O4 Cd1 -46.0(4) . .
O3 C14 O4 Cd2 -3.9(4) . .
C13 C14 O4 Cd2 172.9(3) . .
O1 Cd1 O4 C14 -170.3(3) 6 .
O1 Cd1 O4 C14 -41.5(3) 5_657 .
O4 Cd1 O4 C14 119.6(3) 2_656 .
O2 Cd1 O4 C14 -132.7(2) 6 .
O2 Cd1 O4 C14 10.5(3) 5_657 .
C10 Cd1 O4 C14 -144.6(2) 6 .
C10 Cd1 O4 C14 -15.4(3) 5_657 .
O1 Cd1 O4 Cd2 -49.4(4) 6 .
O1 Cd1 O4 Cd2 79.38(15) 5_657 .
O4 Cd1 O4 Cd2 -119.52(17) 2_656 .
O2 Cd1 O4 Cd2 -11.80(18) 6 .
O2 Cd1 O4 Cd2 131.44(14) 5_657 .
C10 Cd1 O4 Cd2 -23.7(2) 6 .
C10 Cd1 O4 Cd2 105.48(15) 5_657 .
N3 Cd2 O4 C14 -90.9(4) . .
N2' Cd2 O4 C14 86.8(3) 3_545 .
O6' Cd2 O4 C14 -179.0(4) 2_656 .
N2 Cd2 O4 C14 97.1(4) 3_545 .
O5 Cd2 O4 C14 9.5(3) 1_655 .
O6 Cd2 O4 C14 -166.4(4) 2_656 .
N3' Cd2 O4 C14 -79.8(4) . .
O3 Cd2 O4 C14 2.1(2) . .
N3 Cd2 O4 Cd1 136.8(4) . .
N2' Cd2 O4 Cd1 -45.5(3) 3_545 .
O6' Cd2 O4 Cd1 48.6(4) 2_656 .
N2 Cd2 O4 Cd1 -35.3(3) 3_545 .
O5 Cd2 O4 Cd1 -122.84(17) 1_655 .
O6 Cd2 O4 Cd1 61.2(4) 2_656 .
N3' Cd2 O4 Cd1 147.8(4) . .
O3 Cd2 O4 Cd1 -130.3(2) . .
O6' C18 O5 Cd2 5.8(9) . 1_455
O6 C18 O5 Cd2 32.9(9) . 1_455
C16 C18 O5 Cd2 -157.5(3) . 1_455
O5 C18 O6 O6' -91(5) . .
C16 C18 O6 O6' 100(5) . .
O6' C18 O6 Cd2 -22(2) . 2_656
O5 C18 O6 Cd2 -113(3) . 2_656
C16 C18 O6 Cd2 78(3) . 2_656
Cd2 O6 O6' C18 171.2(5) 2_656 .
C18 O6 O6' Cd2 -171.2(5) . 2_656
O5 C18 O6' O6 104(5) . .
C16 C18 O6' O6 -93(5) . .
O5 C18 O6' Cd2 136(5) . 2_656
O6 C18 O6' Cd2 32(2) . 2_656
C16 C18 O6' Cd2 -61(6) . 2_656
