#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/82/2218295.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2218295
loop_
_publ_author_name
'Moncol, Jan'
'Mikloš, Dušan'
'Segla, Peter'
'Koman, Marian'
_publ_section_title
;Di-μ-nicotinato-κ²N:O;κ²O:N-bis[aqua(ethylenediamine-κ²N,N')(nicotinato-κN)cadmium(II)]
 dihydrate
;
_journal_coeditor_code           ZL2107
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m665
_journal_page_last               m666
_journal_paper_doi               10.1107/S1600536808009756
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'[Cd2 (C6 H4 N O2)4 (C2 H8 N2)2 (H2 O)2] , 2H2 O'
_chemical_formula_moiety         'C28 H36 Cd2 N8 O10 , 2H2 O'
_chemical_formula_sum            'C28 H40 Cd2 N8 O12'
_chemical_formula_weight         905.18
_chemical_name_systematic
;
Di-μ-nicotinato-κ²N:O;κ²O:N-bis[aqua(ethylenediamine-
κ²N,N')(nicotinato-\kN)cadmium(II)] dihydrate
;
_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
_cell_angle_alpha                101.080(10)
_cell_angle_beta                 93.600(10)
_cell_angle_gamma                109.630(10)
_cell_formula_units_Z            1
_cell_length_a                   7.6780(10)
_cell_length_b                   10.3640(10)
_cell_length_c                   11.984(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      8.9
_cell_measurement_theta_min      2.1
_cell_volume                     873.1(2)
_computing_cell_refinement       'XSCANS (Siemens, 1994)'
_computing_data_collection       'XSCANS (Siemens, 1994)'
_computing_data_reduction        'XSCANS (Siemens, 1994)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'enCIFer (Allen et al.,  2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       2θ/ω
_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  0.0551
_diffrn_reflns_av_sigmaI/netI    0.0477
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6118
_diffrn_reflns_theta_full        29.99
_diffrn_reflns_theta_max         29.99
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        2.0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.289
_exptl_absorpt_correction_T_max  0.776
_exptl_absorpt_correction_T_min  0.652
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(XEMP; Siemens, 1994)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.722
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             456
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.570
_refine_diff_density_min         -0.619
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         5071
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0299
_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)+(0.0307P)²+0.1604P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0761
_reflns_number_gt                4491
_reflns_number_total             5071
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            zl2107.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2218295
_cod_database_fobs_code          2218295
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd Cd1 0.50747(2) 0.217937(14) 0.263617(13) 0.03264(6) Uani d . 1 . .
O O1 0.3261(3) 0.3353(2) 0.35364(17) 0.0505(5) Uani d . 1 . .
O O1W 0.7358(3) 0.13999(17) 0.18352(18) 0.0457(4) Uani d . 1 . .
H H1W 0.7166 0.0558 0.1631 0.069 Uiso d R 1 . .
H H2W 0.8505 0.1895 0.2005 0.069 Uiso d R 1 . .
O O2 0.1020(3) 0.3222(2) 0.21860(16) 0.0471(4) Uani d . 1 . .
O O2W 0.1968(6) 0.0994(5) 0.4981(3) 0.1256(15) Uani d . 1 . .
H H3W 0.1050 0.0314 0.5055 0.188 Uiso d R 1 . .
H H4W 0.2579 0.1496 0.5595 0.188 Uiso d R 1 . .
O O3 0.6053(4) 0.8065(2) 0.2856(2) 0.0739(8) Uani d . 1 . .
O O4 0.6980(4) 0.87012(19) 0.12727(19) 0.0619(6) Uani d . 1 . .
N N1 0.2917(3) 0.6858(2) 0.56161(17) 0.0364(4) Uani d . 1 . .
N N2 0.6293(3) 0.41008(18) 0.17134(17) 0.0353(4) Uani d . 1 . .
N N3 0.2678(3) 0.0997(2) 0.11238(19) 0.0429(4) Uani d D 1 . .
H H3A 0.1697 0.1239 0.1265 0.051 Uiso d PR 0.780(10) A 1
H H3B 0.3071 0.1225 0.0476 0.051 Uiso d PR 0.780(10) A 1
H H3C 0.2002 0.1532 0.1062 0.051 Uiso d PR 0.220(10) A 2
H H3D 0.3192 0.0863 0.0479 0.051 Uiso d PR 0.220(10) A 2
N N4 0.3717(3) -0.0048(2) 0.30277(19) 0.0445(5) Uani d D 1 . .
H H4A 0.4522 -0.0522 0.2930 0.053 Uiso d PR 0.780(10) A 1
H H4B 0.3529 0.0051 0.3776 0.053 Uiso d PR 0.780(10) A 1
H H4C 0.4641 -0.0346 0.3276 0.053 Uiso d PR 0.220(10) A 2
H H4D 0.3025 0.0006 0.3600 0.053 Uiso d PR 0.220(10) A 2
C C1 0.2052(3) 0.3777(2) 0.3123(2) 0.0347(4) Uani d . 1 . .
C C2 0.1904(3) 0.5085(2) 0.38534(19) 0.0315(4) Uani d . 1 . .
C C3 0.2937(3) 0.5680(2) 0.4933(2) 0.0357(4) Uani d . 1 . .
H H3 0.3691 0.5233 0.5199 0.043 Uiso calc R 1 . .
C C4 0.1810(4) 0.7494(2) 0.5236(2) 0.0412(5) Uani d . 1 . .
H H4 0.1777 0.8311 0.5702 0.049 Uiso calc R 1 . .
C C5 0.0722(4) 0.6972(3) 0.4178(2) 0.0468(6) Uani d . 1 . .
H H5 -0.0040 0.7429 0.3940 0.056 Uiso calc R 1 . .
C C6 0.0771(3) 0.5761(3) 0.3470(2) 0.0407(5) Uani d . 1 . .
H H6 0.0058 0.5405 0.2749 0.049 Uiso calc R 1 . .
C C7 0.6597(4) 0.7856(2) 0.1908(2) 0.0428(5) Uani d . 1 . .
C C8 0.6792(3) 0.6441(2) 0.1471(2) 0.0326(4) Uani d . 1 . .
C C9 0.6207(3) 0.5384(2) 0.20765(19) 0.0333(4) Uani d . 1 . .
H H9 0.5737 0.5576 0.2761 0.040 Uiso calc R 1 . .
C C10 0.6977(3) 0.3842(2) 0.0733(2) 0.0386(5) Uani d . 1 . .
H H10 0.7041 0.2955 0.0478 0.046 Uiso calc R 1 . .
C C11 0.7595(4) 0.4825(3) 0.0076(2) 0.0399(5) Uani d . 1 . .
H H11 0.8065 0.4605 -0.0603 0.048 Uiso calc R 1 . .
C C12 0.7494(3) 0.6147(2) 0.0455(2) 0.0358(4) Uani d . 1 . .
H H12 0.7895 0.6829 0.0030 0.043 Uiso calc R 1 . .
C C13A 0.2200(8) -0.0529(4) 0.1059(4) 0.0548(13) Uani d PDU 0.780(10) A 1
H H13A 0.3186 -0.0828 0.0767 0.066 Uiso calc PR 0.780(10) A 1
H H13B 0.1052 -0.1059 0.0539 0.066 Uiso calc PR 0.780(10) A 1
C C14A 0.1963(8) -0.0807(5) 0.2237(4) 0.0604(14) Uani d PDU 0.780(10) A 1
H H14A 0.0978 -0.0504 0.2527 0.072 Uiso calc PR 0.780(10) A 1
H H14B 0.1602 -0.1808 0.2193 0.072 Uiso calc PR 0.780(10) A 1
C C13B 0.1473(18) -0.0289(13) 0.1436(17) 0.056(4) Uani d PDU 0.220(10) A 2
H H13C 0.0625 -0.0923 0.0769 0.067 Uiso calc PR 0.220(10) A 2
H H13D 0.0740 -0.0052 0.2019 0.067 Uiso calc PR 0.220(10) A 2
C C14B 0.270(2) -0.0967(12) 0.1881(13) 0.052(4) Uani d PDU 0.220(10) A 2
H H14C 0.3580 -0.1059 0.1354 0.062 Uiso calc PR 0.220(10) A 2
H H14D 0.1959 -0.1898 0.1967 0.062 Uiso calc PR 0.220(10) A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 -0.8080 1.2020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N3 Cd1 O1 . . 90.64(7)
N3 Cd1 N4 . . 76.38(8)
O1 Cd1 N4 . . 100.83(9)
N3 Cd1 O1W . . 97.31(8)
O1 Cd1 O1W . . 169.36(7)
N4 Cd1 O1W . . 87.95(7)
N3 Cd1 N1 . 2_666 168.76(7)
O1 Cd1 N1 . 2_666 84.28(7)
N4 Cd1 N1 . 2_666 94.70(7)
O1W Cd1 N1 . 2_666 89.07(7)
N3 Cd1 N2 . . 91.32(7)
O1 Cd1 N2 . . 88.34(7)
N4 Cd1 N2 . . 164.61(7)
O1W Cd1 N2 . . 84.44(7)
N1 Cd1 N2 2_666 . 98.52(7)
C1 O1 Cd1 . . 130.80(16)
Cd1 O1W H1W . . 120.5
Cd1 O1W H2W . . 121.2
H1W O1W H2W . . 113.0
H3W O2W H4W . . 113.8
C3 N1 C4 . . 118.0(2)
C3 N1 Cd1 . 2_666 119.65(15)
C4 N1 Cd1 . 2_666 122.28(16)
C10 N2 C9 . . 117.98(19)
C10 N2 Cd1 . . 117.60(14)
C9 N2 Cd1 . . 124.23(16)
C13B N3 Cd1 . . 107.2(6)
C13A N3 Cd1 . . 107.0(2)
C13B N3 H3A . . 80.3
C13A N3 H3A . . 109.8
Cd1 N3 H3A . . 109.2
C13B N3 H3B . . 135.6
C13A N3 H3B . . 111.4
Cd1 N3 H3B . . 109.0
H3A N3 H3B . . 110.3
C13B N3 H3C . . 107.7
C13A N3 H3C . . 133.5
Cd1 N3 H3C . . 108.4
C13B N3 H3D . . 115.9
C13A N3 H3D . . 86.8
Cd1 N3 H3D . . 108.1
H3C N3 H3D . . 109.4
C14A N4 Cd1 . . 108.3(2)
C14B N4 Cd1 . . 103.7(6)
C14A N4 H4A . . 110.7
C14B N4 H4A . . 85.4
Cd1 N4 H4A . . 109.4
C14A N4 H4B . . 112.2
C14B N4 H4B . . 137.7
Cd1 N4 H4B . . 109.4
H4A N4 H4B . . 106.8
C14A N4 H4C . . 131.2
C14B N4 H4C . . 110.1
Cd1 N4 H4C . . 109.3
C14A N4 H4D . . 88.0
C14B N4 H4D . . 116.6
Cd1 N4 H4D . . 109.8
H4C N4 H4D . . 107.1
O2 C1 O1 . . 126.0(2)
O2 C1 C2 . . 118.9(2)
O1 C1 C2 . . 115.1(2)
C3 C2 C6 . . 117.3(2)
C3 C2 C1 . . 120.63(19)
C6 C2 C1 . . 122.1(2)
N1 C3 C2 . . 124.0(2)
N1 C3 H3 . . 118.0
C2 C3 H3 . . 118.0
N1 C4 C5 . . 122.1(2)
N1 C4 H4 . . 119.0
C5 C4 H4 . . 119.0
C4 C5 C6 . . 119.5(2)
C4 C5 H5 . . 120.2
C6 C5 H5 . . 120.2
C5 C6 C2 . . 119.1(2)
C5 C6 H6 . . 120.4
C2 C6 H6 . . 120.4
O3 C7 O4 . . 125.6(2)
O3 C7 C8 . . 117.7(2)
O4 C7 C8 . . 116.7(2)
C12 C8 C9 . . 118.18(19)
C12 C8 C7 . . 121.6(2)
C9 C8 C7 . . 120.2(2)
N2 C9 C8 . . 122.8(2)
N2 C9 H9 . . 118.6
C8 C9 H9 . . 118.6
N2 C10 C11 . . 123.4(2)
N2 C10 H10 . . 118.3
C11 C10 H10 . . 118.3
C10 C11 C12 . . 118.3(2)
C10 C11 H11 . . 120.8
C12 C11 H11 . . 120.8
C8 C12 C11 . . 119.4(2)
C8 C12 H12 . . 120.3
C11 C12 H12 . . 120.3
N3 C13A C14A . . 109.3(4)
N3 C13A H13A . . 109.8
C14A C13A H13A . . 109.8
N3 C13A H13B . . 109.8
C14A C13A H13B . . 109.8
H13A C13A H13B . . 108.3
N4 C14A C13A . . 110.5(4)
N4 C14A H14A . . 109.6
C13A C14A H14A . . 109.6
N4 C14A H14B . . 109.6
C13A C14A H14B . . 109.6
H14A C14A H14B . . 108.1
N3 C13B C14B . . 107.7(12)
N3 C13B H13C . . 110.2
C14B C13B H13C . . 110.2
N3 C13B H13D . . 110.2
C14B C13B H13D . . 110.2
H13C C13B H13D . . 108.5
C13B C14B N4 . . 107.3(12)
C13B C14B H14C . . 110.3
N4 C14B H14C . . 110.3
C13B C14B H14D . . 110.3
N4 C14B H14D . . 110.3
H14C C14B H14D . . 108.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Cd1 N3 . 2.321(2)
Cd1 O1 . 2.325(2)
Cd1 N4 . 2.344(2)
Cd1 O1W . 2.348(2)
Cd1 N1 2_666 2.349(2)
Cd1 N2 . 2.406(2)
O1 C1 . 1.264(3)
O1W H1W . 0.8187
O1W H2W . 0.8450
O2 C1 . 1.247(3)
O2W H3W . 0.8365
O2W H4W . 0.8232
O3 C7 . 1.240(3)
O4 C7 . 1.243(3)
N1 C3 . 1.339(3)
N1 C4 . 1.344(3)
N1 Cd1 2_666 2.349(2)
N2 C10 . 1.334(3)
N2 C9 . 1.343(3)
N3 C13B . 1.477(12)
N3 C13A . 1.484(4)
N3 H3A . 0.8860
N3 H3B . 0.8955
N3 H3C . 0.8870
N3 H3D . 0.8982
N4 C14A . 1.474(5)
N4 C14B . 1.507(12)
N4 H4A . 0.9105
N4 H4B . 0.9088
N4 H4C . 0.9180
N4 H4D . 0.8980
C1 C2 . 1.509(3)
C2 C3 . 1.385(3)
C2 C6 . 1.394(3)
C3 H3 . 0.9300
C4 C5 . 1.378(4)
C4 H4 . 0.9300
C5 C6 . 1.387(3)
C5 H5 . 0.9300
C6 H6 . 0.9300
C7 C8 . 1.519(3)
C8 C12 . 1.385(3)
C8 C9 . 1.395(3)
C9 H9 . 0.9300
C10 C11 . 1.384(3)
C10 H10 . 0.9300
C11 C12 . 1.388(3)
C11 H11 . 0.9300
C12 H12 . 0.9300
C13A C14A . 1.504(6)
C13A H13A . 0.9700
C13A H13B . 0.9700
C14A H14A . 0.9700
C14A H14B . 0.9700
C13B C14B . 1.479(15)
C13B H13C . 0.9700
C13B H13D . 0.9700
C14B H14C . 0.9700
C14B H14D . 0.9700
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1W H1W O4 1_545 0.82 1.84 2.659(2) 173.6
O1W H2W O2 1_655 0.84 1.93 2.762(3) 169.0
O2W H3W O2W 2_556 0.84 2.25 3.041(10) 157.9
O2W H4W O3 2_666 0.82 1.97 2.742(5) 156.7
N3 H3A O2 . 0.89 2.37 3.099(3) 139.0
N3 H3B O4 2_665 0.90 2.11 2.966(3) 159.8
N3 H3C O2 . 0.89 2.36 3.099(3) 141.2
N3 H3D O4 2_665 0.90 2.24 2.966(3) 138.3
N4 H4A O3 1_545 0.91 2.16 3.054(3) 168.8
N4 H4B O2W . 0.91 2.22 2.975(4) 139.7
N4 H4C O3 1_545 0.92 2.26 3.054(3) 145.1
N4 H4D O2W . 0.90 2.13 2.975(4) 157.1
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_site_symmetry_1
_geom_torsion
N3 Cd1 O1 C1 . -33.5(2)
N4 Cd1 O1 C1 . -109.7(2)
O1W Cd1 O1 C1 . 105.0(4)
N1 Cd1 O1 C1 2_666 156.5(2)
N2 Cd1 O1 C1 . 57.8(2)
N3 Cd1 N2 C10 . -65.68(18)
O1 Cd1 N2 C10 . -156.28(18)
N4 Cd1 N2 C10 . -29.2(4)
O1W Cd1 N2 C10 . 31.54(18)
N1 Cd1 N2 C10 2_666 119.76(17)
N3 Cd1 N2 C9 . 109.32(19)
O1 Cd1 N2 C9 . 18.72(18)
N4 Cd1 N2 C9 . 145.8(3)
O1W Cd1 N2 C9 . -153.46(19)
N1 Cd1 N2 C9 2_666 -65.24(19)
O1 Cd1 N3 C13B . -87.9(8)
N4 Cd1 N3 C13B . 13.1(8)
O1W Cd1 N3 C13B . 99.2(8)
N1 Cd1 N3 C13B 2_666 -25.0(9)
N2 Cd1 N3 C13B . -176.2(8)
O1 Cd1 N3 C13A . -121.2(3)
N4 Cd1 N3 C13A . -20.2(3)
O1W Cd1 N3 C13A . 65.9(3)
N1 Cd1 N3 C13A 2_666 -58.3(5)
N2 Cd1 N3 C13A . 150.4(3)
N3 Cd1 N4 C14A . -10.2(3)
O1 Cd1 N4 C14A . 77.8(3)
O1W Cd1 N4 C14A . -108.2(3)
N1 Cd1 N4 C14A 2_666 162.9(3)
N2 Cd1 N4 C14A . -47.9(5)
N3 Cd1 N4 C14B . 20.6(7)
O1 Cd1 N4 C14B . 108.7(7)
O1W Cd1 N4 C14B . -77.4(7)
N1 Cd1 N4 C14B 2_666 -166.3(7)
N2 Cd1 N4 C14B . -17.1(8)
Cd1 O1 C1 O2 . 30.5(4)
Cd1 O1 C1 C2 . -148.90(17)
O2 C1 C2 C3 . 175.7(2)
O1 C1 C2 C3 . -4.8(3)
O2 C1 C2 C6 . -5.8(3)
O1 C1 C2 C6 . 173.7(2)
C4 N1 C3 C2 . 0.8(4)
Cd1 N1 C3 C2 2_666 -175.37(17)
C6 C2 C3 N1 . -0.4(4)
C1 C2 C3 N1 . 178.1(2)
C3 N1 C4 C5 . -0.2(4)
Cd1 N1 C4 C5 2_666 175.8(2)
N1 C4 C5 C6 . -0.6(4)
C4 C5 C6 C2 . 0.9(4)
C3 C2 C6 C5 . -0.4(4)
C1 C2 C6 C5 . -179.0(2)
O3 C7 C8 C12 . -176.1(3)
O4 C7 C8 C12 . 4.7(4)
O3 C7 C8 C9 . 5.8(4)
O4 C7 C8 C9 . -173.4(3)
C10 N2 C9 C8 . 0.3(3)
Cd1 N2 C9 C8 . -174.71(16)
C12 C8 C9 N2 . -0.2(3)
C7 C8 C9 N2 . 178.0(2)
C9 N2 C10 C11 . -0.1(4)
Cd1 N2 C10 C11 . 175.22(19)
N2 C10 C11 C12 . -0.1(4)
C9 C8 C12 C11 . -0.1(3)
C7 C8 C12 C11 . -178.2(2)
C10 C11 C12 C8 . 0.2(4)
C13B N3 C13A C14A . -46.9(11)
Cd1 N3 C13A C14A . 48.5(6)
C14B N4 C14A C13A . -46.1(10)
Cd1 N4 C14A C13A . 39.8(6)
N3 C13A C14A N4 . -61.5(8)
C13A N3 C13B C14B . 47.9(10)
Cd1 N3 C13B C14B . -46.7(16)
N3 C13B C14B N4 . 70(2)
C14A N4 C14B C13B . 49.7(10)
Cd1 N4 C14B C13B . -53.2(15)
