#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/22/7052216.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_7052216
loop_
_publ_author_name
'Yang, En-Cui'
'Zhao, Hong-Kun'
'Ding, Bin'
'Wang, Xiu-Guang'
'Zhao, Xiao-Jun'
_publ_section_title
;
 The first 2D trinuclear Cd(ii)-complex with adenine nucleobase:
 hydrothermal synthesis, crystal structure and fluorescent properties
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1887
_journal_paper_doi               10.1039/b712387f
_journal_volume                  31
_journal_year                    2007
_chemical_formula_sum            'C11 H15.5 Cd1.5 N5 O5.75'
_chemical_formula_weight         478.38
_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                 92.618(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.250(2)
_cell_length_b                   12.011(3)
_cell_length_c                   14.326(4)
_cell_measurement_reflns_used    2065
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.91
_cell_measurement_theta_min      2.20
_cell_volume                     1590.0(7)
_computing_cell_refinement       'Bruker SMART APEX II'
_computing_data_collection       'Bruker SMART APEX II'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'APEX II 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  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0580
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8203
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    2.061
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.793127
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_diffrn    1.998
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             938
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.595
_refine_diff_density_min         -0.889
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       0.0045(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     224
_refine_ls_number_reflns         2788
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0362
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0102P)²+4.7256P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0836
_refine_ls_wR_factor_ref         0.0918
_reflns_number_gt                2193
_reflns_number_total             2788
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b712387f.txt
_cod_data_source_block           60505d
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C11 H15.50 Cd1.50 N5 O5.75'
_cod_database_code               7052216
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.86870(4) 0.62841(3) 1.20951(3) 0.03963(17) Uani 1 1 d . . .
Cd2 Cd 1.0000 0.5000 1.0000 0.03669(19) Uani 1 2 d S . .
O1 O 0.8249(5) 0.4700(3) 1.1111(3) 0.0493(10) Uani 1 1 d . . .
O2 O 0.6482(5) 0.5134(4) 1.1999(3) 0.0614(12) Uani 1 1 d . . .
O3 O 0.9086(6) 0.2484(5) 0.7900(4) 0.0897(18) Uani 1 1 d . . .
O4 O 0.9084(5) 0.4057(4) 0.8634(3) 0.0564(11) Uani 1 1 d . . .
O5 O 0.9449(7) 0.4848(4) 1.3179(4) 0.0923(18) Uani 1 1 d . . .
H5' H 1.0066 0.5127 1.3573 0.138 Uiso 1 1 d R . .
H5" H 0.9369 0.4142 1.3172 0.138 Uiso 1 1 d R . .
O6 O 0.103(3) 0.5653(14) 0.459(2) 0.31(2) Uani 0.50 1 d P . .
O7 O 0.657(5) 0.504(5) 0.773(3) 0.22(2) Uani 0.25 1 d P . .
N1 N 0.6294(6) 0.8935(4) 1.0430(4) 0.0519(13) Uani 1 1 d . . .
N3 N 0.7760(5) 0.7359(4) 1.0857(3) 0.0393(10) Uani 1 1 d . . .
N10 N 0.5982(6) 0.9603(5) 0.8908(4) 0.0676(18) Uani 1 1 d . . .
H10' H 0.5398 1.0096 0.9109 0.081 Uiso 1 1 calc R . .
H10" H 0.6163 0.9580 0.8325 0.081 Uiso 1 1 calc R . .
N7 N 0.8101(5) 0.7755(4) 0.8399(3) 0.0424(11) Uani 1 1 d . . .
N9 N 0.8888(5) 0.6528(4) 0.9529(3) 0.0444(12) Uani 1 1 d . . .
C6 C 0.6607(6) 0.8875(5) 0.9501(4) 0.0457(14) Uani 1 1 d . . .
C2 C 0.6870(7) 0.8213(5) 1.1025(4) 0.0490(15) Uani 1 1 d . . .
H2 H 0.6633 0.8305 1.1645 0.059 Uiso 1 1 calc R . .
C4 C 0.8057(6) 0.7302(4) 0.9936(4) 0.0360(12) Uani 1 1 d . . .
C5 C 0.7565(6) 0.8047(4) 0.9247(4) 0.0409(13) Uani 1 1 d . . .
C8 C 0.8884(7) 0.6843(5) 0.8629(4) 0.0481(15) Uani 1 1 d . . .
H8 H 0.9394 0.6453 0.8190 0.058 Uiso 1 1 calc R . .
C9 C 0.7020(7) 0.4502(5) 1.1411(4) 0.0458(14) Uani 1 1 d . . .
C10 C 0.6233(9) 0.3467(6) 1.1104(5) 0.074(2) Uani 1 1 d . . .
H10A H 0.5213 0.3641 1.1013 0.089 Uiso 1 1 calc R . .
H10B H 0.6329 0.2922 1.1603 0.089 Uiso 1 1 calc R . .
C11 C 0.6755(8) 0.2939(6) 1.0207(6) 0.075(2) Uani 1 1 d . . .
H11A H 0.7801 0.2880 1.0249 0.090 Uiso 1 1 calc R . .
H11B H 0.6361 0.2193 1.0143 0.090 Uiso 1 1 calc R . .
C12 C 0.6305(7) 0.3605(7) 0.9365(5) 0.072(2) Uani 1 1 d . . .
H12A H 0.6685 0.4354 0.9437 0.086 Uiso 1 1 calc R . .
H12B H 0.5257 0.3655 0.9323 0.086 Uiso 1 1 calc R . .
C13 C 0.6827(8) 0.3110(9) 0.8463(6) 0.094(3) Uani 1 1 d . . .
H13A H 0.6569 0.2327 0.8443 0.113 Uiso 1 1 calc R . .
H13B H 0.6315 0.3471 0.7941 0.113 Uiso 1 1 calc R . .
C14 C 0.8428(7) 0.3212(6) 0.8334(5) 0.0633(19) Uani 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
_geom_angle_publ_flag
N7 Cd1 N3 104.52(16) 4_576 . ?
N7 Cd1 O4 133.37(16) 4_576 3_767 ?
N3 Cd1 O4 93.28(16) . 3_767 ?
N7 Cd1 O1 147.62(15) 4_576 . ?
N3 Cd1 O1 86.87(15) . . ?
O4 Cd1 O1 74.48(14) 3_767 . ?
N7 Cd1 O5 84.69(18) 4_576 . ?
N3 Cd1 O5 167.84(18) . . ?
O4 Cd1 O5 85.77(19) 3_767 . ?
O1 Cd1 O5 81.19(18) . . ?
N7 Cd1 O2 95.88(16) 4_576 . ?
N3 Cd1 O2 89.61(16) . . ?
O4 Cd1 O2 127.49(14) 3_767 . ?
O1 Cd1 O2 53.33(14) . . ?
O5 Cd1 O2 81.4(2) . . ?
N7 Cd1 O3 85.77(16) 4_576 3_767 ?
N3 Cd1 O3 87.1(2) . 3_767 ?
O4 Cd1 O3 51.97(15) 3_767 3_767 ?
O1 Cd1 O3 125.56(15) . 3_767 ?
O5 Cd1 O3 101.7(2) . 3_767 ?
O2 Cd1 O3 176.62(19) . 3_767 ?
N9 Cd2 N9 180.00(12) 3_767 . ?
N9 Cd2 O1 90.49(15) 3_767 3_767 ?
N9 Cd2 O1 89.52(15) . 3_767 ?
N9 Cd2 O1 89.51(15) 3_767 . ?
N9 Cd2 O1 90.48(15) . . ?
O1 Cd2 O1 180.00(14) 3_767 . ?
N9 Cd2 O4 89.93(17) 3_767 . ?
N9 Cd2 O4 90.07(17) . . ?
O1 Cd2 O4 75.35(15) 3_767 . ?
O1 Cd2 O4 104.65(15) . . ?
N9 Cd2 O4 90.07(17) 3_767 3_767 ?
N9 Cd2 O4 89.93(17) . 3_767 ?
O1 Cd2 O4 104.65(15) 3_767 3_767 ?
O1 Cd2 O4 75.35(15) . 3_767 ?
O4 Cd2 O4 179.999(1) . 3_767 ?
C9 O1 Cd2 157.4(4) . . ?
C9 O1 Cd1 94.7(3) . . ?
Cd2 O1 Cd1 99.99(14) . . ?
C9 O2 Cd1 91.4(4) . . ?
C14 O3 Cd1 90.3(4) . 3_767 ?
C14 O4 Cd2 144.9(5) . . ?
C14 O4 Cd1 97.2(4) . 3_767 ?
Cd2 O4 Cd1 99.15(16) . 3_767 ?
Cd1 O5 H5' 108.2 . . ?
Cd1 O5 H5" 133.2 . . ?
H5' O5 H5" 117.1 . . ?
C2 N1 C6 119.8(5) . . ?
C2 N3 C4 111.4(5) . . ?
C2 N3 Cd1 119.6(4) . . ?
C4 N3 Cd1 128.9(3) . . ?
C6 N10 H10' 120.0 . . ?
C6 N10 H10" 120.0 . . ?
H10' N10 H10" 120.0 . . ?
C8 N7 C5 101.6(5) . . ?
C8 N7 Cd1 117.9(4) . 4_575 ?
C5 N7 Cd1 134.6(3) . 4_575 ?
C8 N9 C4 104.0(5) . . ?
C8 N9 Cd2 120.7(4) . . ?
C4 N9 Cd2 135.1(4) . . ?
N10 C6 N1 118.5(5) . . ?
N10 C6 C5 124.4(5) . . ?
N1 C6 C5 117.1(5) . . ?
N1 C2 N3 128.4(6) . . ?
N1 C2 H2 115.8 . . ?
N3 C2 H2 115.8 . . ?
N9 C4 N3 126.5(5) . . ?
N9 C4 C5 108.0(5) . . ?
N3 C4 C5 125.5(5) . . ?
N7 C5 C6 132.2(5) . . ?
N7 C5 C4 110.1(5) . . ?
C6 C5 C4 117.7(5) . . ?
N9 C8 N7 116.3(5) . . ?
N9 C8 H8 121.9 . . ?
N7 C8 H8 121.9 . . ?
O2 C9 O1 120.5(6) . . ?
O2 C9 C10 119.8(6) . . ?
O1 C9 C10 119.5(6) . . ?
C9 C10 C11 115.0(6) . . ?
C9 C10 H10A 108.5 . . ?
C11 C10 H10A 108.5 . . ?
C9 C10 H10B 108.5 . . ?
C11 C10 H10B 108.5 . . ?
H10A C10 H10B 107.5 . . ?
C12 C11 C10 111.7(7) . . ?
C12 C11 H11A 109.3 . . ?
C10 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
C10 C11 H11B 109.3 . . ?
H11A C11 H11B 107.9 . . ?
C11 C12 C13 112.9(7) . . ?
C11 C12 H12A 109.0 . . ?
C13 C12 H12A 109.0 . . ?
C11 C12 H12B 109.0 . . ?
C13 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
C14 C13 C12 115.2(6) . . ?
C14 C13 H13A 108.5 . . ?
C12 C13 H13A 108.5 . . ?
C14 C13 H13B 108.5 . . ?
C12 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
O3 C14 O4 120.0(6) . . ?
O3 C14 C13 120.6(7) . . ?
O4 C14 C13 119.3(6) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cd1 N7 2.282(4) 4_576 ?
Cd1 N3 2.326(5) . ?
Cd1 O4 2.389(4) 3_767 ?
Cd1 O1 2.392(4) . ?
Cd1 O5 2.405(5) . ?
Cd1 O2 2.462(5) . ?
Cd1 O3 2.536(5) 3_767 ?
Cd2 N9 2.195(4) 3_767 ?
Cd2 N9 2.195(5) . ?
Cd2 O1 2.350(4) 3_767 ?
Cd2 O1 2.350(4) . ?
Cd2 O4 2.383(4) . ?
Cd2 O4 2.383(4) 3_767 ?
O1 C9 1.256(7) . ?
O2 C9 1.254(7) . ?
O3 C14 1.247(8) . ?
O3 Cd1 2.536(5) 3_767 ?
O4 C14 1.249(8) . ?
O4 Cd1 2.389(4) 3_767 ?
O5 H5' 0.8531 . ?
O5 H5" 0.8510 . ?
N1 C2 1.313(8) . ?
N1 C6 1.376(7) . ?
N3 C2 1.344(7) . ?
N3 C4 1.361(7) . ?
N10 C6 1.333(7) . ?
N10 H10' 0.8600 . ?
N10 H10" 0.8600 . ?
N7 C8 1.346(7) . ?
N7 C5 1.378(7) . ?
N7 Cd1 2.282(4) 4_575 ?
N9 C8 1.343(7) . ?
N9 C4 1.355(6) . ?
C6 C5 1.392(7) . ?
C2 H2 0.9300 . ?
C4 C5 1.393(8) . ?
C8 H8 0.9300 . ?
C9 C10 1.496(9) . ?
C10 C11 1.531(10) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.490(11) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.521(9) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.506(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N9 Cd2 O1 C9 -115.1(10) 3_767 . . . ?
N9 Cd2 O1 C9 64.9(10) . . . . ?
O1 Cd2 O1 C9 82(30) 3_767 . . . ?
O4 Cd2 O1 C9 -25.3(10) . . . . ?
O4 Cd2 O1 C9 154.7(10) 3_767 . . . ?
N9 Cd2 O1 Cd1 115.32(19) 3_767 . . . ?
N9 Cd2 O1 Cd1 -64.68(19) . . . . ?
O1 Cd2 O1 Cd1 -47(30) 3_767 . . . ?
O4 Cd2 O1 Cd1 -154.88(16) . . . . ?
O4 Cd2 O1 Cd1 25.12(16) 3_767 . . . ?
N7 Cd1 O1 C9 18.9(5) 4_576 . . . ?
N3 Cd1 O1 C9 -93.6(4) . . . . ?
O4 Cd1 O1 C9 172.1(4) 3_767 . . . ?
O5 Cd1 O1 C9 84.1(4) . . . . ?
O2 Cd1 O1 C9 -1.8(3) . . . . ?
O3 Cd1 O1 C9 -177.8(4) 3_767 . . . ?
N7 Cd1 O1 Cd2 -178.4(2) 4_576 . . . ?
N3 Cd1 O1 Cd2 69.11(16) . . . . ?
O4 Cd1 O1 Cd2 -25.17(16) 3_767 . . . ?
O5 Cd1 O1 Cd2 -113.2(2) . . . . ?
O2 Cd1 O1 Cd2 161.0(2) . . . . ?
O3 Cd1 O1 Cd2 -15.1(3) 3_767 . . . ?
N7 Cd1 O2 C9 -167.3(4) 4_576 . . . ?
N3 Cd1 O2 C9 88.1(4) . . . . ?
O4 Cd1 O2 C9 -5.7(4) 3_767 . . . ?
O1 Cd1 O2 C9 1.7(3) . . . . ?
O5 Cd1 O2 C9 -83.6(4) . . . . ?
O3 Cd1 O2 C9 74(3) 3_767 . . . ?
N9 Cd2 O4 C14 51.3(8) 3_767 . . . ?
N9 Cd2 O4 C14 -128.7(8) . . . . ?
O1 Cd2 O4 C14 141.8(8) 3_767 . . . ?
O1 Cd2 O4 C14 -38.2(8) . . . . ?
O4 Cd2 O4 C14 -99(49) 3_767 . . . ?
N9 Cd2 O4 Cd1 -65.43(18) 3_767 . . 3_767 ?
N9 Cd2 O4 Cd1 114.57(18) . . . 3_767 ?
O1 Cd2 O4 Cd1 25.09(15) 3_767 . . 3_767 ?
O1 Cd2 O4 Cd1 -154.91(15) . . . 3_767 ?
O4 Cd2 O4 Cd1 145(49) 3_767 . . 3_767 ?
N7 Cd1 N3 C2 -10.6(5) 4_576 . . . ?
O4 Cd1 N3 C2 -147.1(4) 3_767 . . . ?
O1 Cd1 N3 C2 138.7(4) . . . . ?
O5 Cd1 N3 C2 127.8(9) . . . . ?
O2 Cd1 N3 C2 85.4(4) . . . . ?
O3 Cd1 N3 C2 -95.5(4) 3_767 . . . ?
N7 Cd1 N3 C4 164.8(5) 4_576 . . . ?
O4 Cd1 N3 C4 28.3(5) 3_767 . . . ?
O1 Cd1 N3 C4 -46.0(5) . . . . ?
O5 Cd1 N3 C4 -56.9(11) . . . . ?
O2 Cd1 N3 C4 -99.3(5) . . . . ?
O3 Cd1 N3 C4 79.9(5) 3_767 . . . ?
N9 Cd2 N9 C8 -136(5) 3_767 . . . ?
O1 Cd2 N9 C8 33.4(5) 3_767 . . . ?
O1 Cd2 N9 C8 -146.6(5) . . . . ?
O4 Cd2 N9 C8 -41.9(5) . . . . ?
O4 Cd2 N9 C8 138.1(5) 3_767 . . . ?
N9 Cd2 N9 C4 40(5) 3_767 . . . ?
O1 Cd2 N9 C4 -150.5(6) 3_767 . . . ?
O1 Cd2 N9 C4 29.5(6) . . . . ?
O4 Cd2 N9 C4 134.1(6) . . . . ?
O4 Cd2 N9 C4 -45.9(6) 3_767 . . . ?
C2 N1 C6 N10 178.6(6) . . . . ?
C2 N1 C6 C5 -1.4(9) . . . . ?
C6 N1 C2 N3 -1.2(11) . . . . ?
C4 N3 C2 N1 0.7(9) . . . . ?
Cd1 N3 C2 N1 176.9(5) . . . . ?
C8 N9 C4 N3 -178.3(6) . . . . ?
Cd2 N9 C4 N3 5.2(9) . . . . ?
C8 N9 C4 C5 1.0(7) . . . . ?
Cd2 N9 C4 C5 -175.5(4) . . . . ?
C2 N3 C4 N9 -178.4(6) . . . . ?
Cd1 N3 C4 N9 5.9(8) . . . . ?
C2 N3 C4 C5 2.4(8) . . . . ?
Cd1 N3 C4 C5 -173.3(4) . . . . ?
C8 N7 C5 C6 -175.8(7) . . . . ?
Cd1 N7 C5 C6 33.5(10) 4_575 . . . ?
C8 N7 C5 C4 0.3(7) . . . . ?
Cd1 N7 C5 C4 -150.5(4) 4_575 . . . ?
N10 C6 C5 N7 -0.1(11) . . . . ?
N1 C6 C5 N7 179.9(6) . . . . ?
N10 C6 C5 C4 -175.9(6) . . . . ?
N1 C6 C5 C4 4.1(9) . . . . ?
N9 C4 C5 N7 -0.8(7) . . . . ?
N3 C4 C5 N7 178.5(5) . . . . ?
N9 C4 C5 C6 175.9(5) . . . . ?
N3 C4 C5 C6 -4.8(9) . . . . ?
C4 N9 C8 N7 -0.9(7) . . . . ?
Cd2 N9 C8 N7 176.2(4) . . . . ?
C5 N7 C8 N9 0.4(7) . . . . ?
Cd1 N7 C8 N9 157.2(4) 4_575 . . . ?
Cd1 O2 C9 O1 -3.1(6) . . . . ?
Cd1 O2 C9 C10 173.3(6) . . . . ?
Cd2 O1 C9 O2 -127.2(9) . . . . ?
Cd1 O1 C9 O2 3.2(6) . . . . ?
Cd2 O1 C9 C10 56.3(13) . . . . ?
Cd1 O1 C9 C10 -173.2(6) . . . . ?
O2 C9 C10 C11 163.7(7) . . . . ?
O1 C9 C10 C11 -19.8(10) . . . . ?
C9 C10 C11 C12 -72.7(9) . . . . ?
C10 C11 C12 C13 179.1(6) . . . . ?
C11 C12 C13 C14 -71.7(10) . . . . ?
Cd1 O3 C14 O4 -6.9(8) 3_767 . . . ?
Cd1 O3 C14 C13 170.3(7) 3_767 . . . ?
Cd2 O4 C14 O3 -109.9(8) . . . . ?
Cd1 O4 C14 O3 7.4(8) 3_767 . . . ?
Cd2 O4 C14 C13 72.9(11) . . . . ?
Cd1 O4 C14 C13 -169.8(7) 3_767 . . . ?
C12 C13 C14 O3 148.2(9) . . . . ?
C12 C13 C14 O4 -34.6(13) . . . . ?
