#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/36/7023608.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_7023608
loop_
_publ_author_name
'Guo, Xiang-Guang'
'Yang, Wen-Bin'
'Wu, Xiao-Yuan'
'Zhang, Qi-Kai'
'Lin, Lang'
'Yu, Rongmin'
'Chen, Hui-Fen'
'Lu, Can-Zhong'
_publ_section_title
;
 Auxiliary ligand-directed synthesis of a series of Cd(ii)/Co(ii)
 coordination polymers with methylenebis(3,5-dimethylpyrazole): syntheses,
 crystal structures, and properties.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15106
_journal_page_last               15112
_journal_paper_doi               10.1039/c3dt51574e
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C19 H23 Cd N4 O5.5'
_chemical_formula_weight         507.79
_chemical_name_systematic
; 
 ? 
;
_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                99.587(14)
_cell_angle_beta                 109.51(2)
_cell_angle_gamma                107.60(3)
_cell_formula_units_Z            2
_cell_length_a                   9.17(2)
_cell_length_b                   11.31(2)
_cell_length_c                   11.92(3)
_cell_measurement_reflns_used    669
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.3986
_cell_measurement_theta_min      3.1249
_cell_volume                     1060(4)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_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 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'SCXmini CCD'
_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  0.0405
_diffrn_reflns_av_sigmaI/netI    0.0649
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9186
_diffrn_reflns_theta_full        27.34
_diffrn_reflns_theta_max         27.34
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    1.069
_exptl_absorpt_correction_T_max  0.8561
_exptl_absorpt_correction_T_min  0.7911
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             508
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.850
_refine_diff_density_min         -1.192
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0541
_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)+(0.0640P)²+1.3995P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1246
_refine_ls_wR_factor_ref         0.1384
_reflns_number_gt                3805
_reflns_number_total             4747
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51574e.txt
_cod_data_source_block           a
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C19 H23 Cd N4 O5.50'
_cod_database_code               7023608
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.70098(4) 0.17931(3) 0.24854(3) 0.04053(14) Uani 1 1 d .
O2 O 0.4353(5) 0.0248(4) 0.1259(4) 0.0654(12) Uani 1 1 d .
N4 N 0.6498(5) -0.1107(4) 0.1334(4) 0.0418(9) Uani 1 1 d .
H4A H 0.5499 -0.1186 0.0887 0.050 Uiso 1 1 calc R
N3 N 0.7672(5) -0.0012(4) 0.2258(4) 0.0414(9) Uani 1 1 d .
N2 N 0.9875(5) -0.3523(4) 0.4988(4) 0.0399(9) Uani 1 1 d .
H2A H 0.9416 -0.3969 0.5385 0.048 Uiso 1 1 calc R
C12 C 1.0200(6) -0.2666(4) 0.3515(4) 0.0360(10) Uani 1 1 d .
O1 O 0.4362(5) 0.2042(4) 0.2277(4) 0.0642(11) Uani 1 1 d .
C11 C 0.7091(6) -0.2047(5) 0.1207(5) 0.0410(11) Uani 1 1 d .
N1 N 1.1526(5) -0.2742(4) 0.5457(4) 0.0449(10) Uani 1 1 d .
C10 C 0.9022(6) -0.0288(5) 0.2733(4) 0.0377(10) Uani 1 1 d .
C9 C 0.8717(6) -0.1567(5) 0.2104(4) 0.0368(10) Uani 1 1 d .
C8 C 0.1706(6) 0.0454(5) 0.0744(4) 0.0371(10) Uani 1 1 d .
C7 C 0.0867(6) -0.0795(5) -0.0061(5) 0.0441(12) Uani 1 1 d .
H7A H 0.1450 -0.1333 -0.0107 0.053 Uiso 1 1 calc R
C6 C 0.9885(6) -0.2277(5) 0.2329(4) 0.0411(11) Uani 1 1 d .
H6A H 1.0949 -0.1727 0.2361 0.049 Uiso 1 1 calc R
H6B H 0.9419 -0.3052 0.1628 0.049 Uiso 1 1 calc R
C5 C 0.9047(6) -0.3509(4) 0.3821(5) 0.0383(10) Uani 1 1 d .
C4 C 1.1721(6) -0.2231(5) 0.4552(5) 0.0444(12) Uani 1 1 d .
C3 C -0.0828(7) -0.1252(5) -0.0797(5) 0.0451(12) Uani 1 1 d .
H3A H -0.1383 -0.2098 -0.1330 0.054 Uiso 1 1 calc R
C2 C 0.3582(6) 0.0945(5) 0.1487(5) 0.0450(12) Uani 1 1 d .
C1 C 1.0620(7) 0.0710(5) 0.3755(5) 0.0518(13) Uani 1 1 d .
H1A H 1.0455 0.1495 0.4003 0.078 Uiso 1 1 calc R
H1B H 1.1494 0.0888 0.3460 0.078 Uiso 1 1 calc R
H1C H 1.0932 0.0385 0.4457 0.078 Uiso 1 1 calc R
O4 O 0.7232(8) 0.2755(5) 0.1024(6) 0.0881(17) Uani 1 1 d .
O3 O 0.9763(9) 0.3632(5) 0.2550(6) 0.0951(19) Uani 1 1 d .
C13 C 0.6088(8) -0.3327(6) 0.0229(6) 0.0608(16) Uani 1 1 d .
H13A H 0.4993 -0.3358 -0.0245 0.091 Uiso 1 1 calc R
H13B H 0.5985 -0.4009 0.0617 0.091 Uiso 1 1 calc R
H13C H 0.6639 -0.3439 -0.0314 0.091 Uiso 1 1 calc R
C14 C 0.7212(7) -0.4299(7) 0.3129(6) 0.0655(17) Uani 1 1 d .
H14A H 0.6817 -0.4776 0.3635 0.098 Uiso 1 1 calc R
H14B H 0.7013 -0.4895 0.2368 0.098 Uiso 1 1 calc R
H14C H 0.6627 -0.3734 0.2940 0.098 Uiso 1 1 calc R
C17 C 0.9407(10) 0.4281(6) 0.0710(7) 0.0636(19) Uani 1 1 d .
C15 C 1.3404(8) -0.1318(9) 0.4757(7) 0.085(2) Uani 1 1 d .
H15A H 1.4200 -0.1205 0.5572 0.128 Uiso 1 1 calc R
H15B H 1.3359 -0.0494 0.4692 0.128 Uiso 1 1 calc R
H15C H 1.3741 -0.1666 0.4138 0.128 Uiso 1 1 calc R
C18 C 1.1060(11) 0.5164(7) 0.1199(7) 0.075(2) Uani 1 1 d .
H18A H 1.1778 0.5280 0.2010 0.090 Uiso 1 1 calc R
C16 C 0.8787(13) 0.3523(8) 0.1500(8) 0.080(3) Uani 1 1 d .
C19 C 0.8353(11) 0.4122(7) -0.0480(8) 0.075(2) Uani 1 1 d .
H19A H 0.7244 0.3538 -0.0810 0.090 Uiso 1 1 calc R
O1W O 0.3637(17) -0.6082(15) 0.3926(14) 0.130(5) Uani 0.55 1 d P
O2W O 1.440(2) 0.3235(17) 0.4514(16) 0.134(5) Uani 0.50 1 d P
O3W O 0.727(2) -0.4757(19) 0.5864(13) 0.138(7) Uani 0.45 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'
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
O4 Cd1 N1 124.8(3) . 2_756
O4 Cd1 N3 111.38(19) . .
N1 Cd1 N3 100.07(17) 2_756 .
O4 Cd1 O2 95.6(3) . .
N1 Cd1 O2 134.21(17) 2_756 .
N3 Cd1 O2 81.3(2) . .
O4 Cd1 O1 92.52(18) . .
N1 Cd1 O1 99.01(17) 2_756 .
N3 Cd1 O1 131.76(15) . .
O2 Cd1 O1 54.24(19) . .
O4 Cd1 O3 51.9(2) . .
N1 Cd1 O3 78.8(2) 2_756 .
N3 Cd1 O3 101.3(2) . .
O2 Cd1 O3 146.4(2) . .
O1 Cd1 O3 125.7(2) . .
O4 Cd1 C2 93.1(2) . .
N1 Cd1 C2 119.73(17) 2_756 .
N3 Cd1 C2 107.39(19) . .
O2 Cd1 C2 27.21(16) . .
O1 Cd1 C2 27.11(17) . .
O3 Cd1 C2 141.4(2) . .
C2 O2 Cd1 96.0(4) . .
C11 N4 N3 111.7(4) . .
C11 N4 H4A 124.2 . .
N3 N4 H4A 124.2 . .
C10 N3 N4 105.6(4) . .
C10 N3 Cd1 136.8(3) . .
N4 N3 Cd1 117.2(3) . .
C5 N2 N1 111.4(4) . .
C5 N2 H2A 124.3 . .
N1 N2 H2A 124.3 . .
C5 C12 C4 105.0(5) . .
C5 C12 C6 127.8(4) . .
C4 C12 C6 127.1(5) . .
C2 O1 Cd1 88.9(3) . .
N4 C11 C9 107.1(4) . .
N4 C11 C13 122.7(5) . .
C9 C11 C13 130.1(5) . .
C4 N1 N2 105.3(4) . .
C4 N1 Cd1 126.4(4) . 2_756
N2 N1 Cd1 120.6(3) . 2_756
N3 C10 C9 110.5(4) . .
N3 C10 C1 121.4(5) . .
C9 C10 C1 128.1(5) . .
C11 C9 C10 105.1(4) . .
C11 C9 C6 126.5(5) . .
C10 C9 C6 128.5(4) . .
C7 C8 C3 119.2(5) . 2
C7 C8 C2 119.1(5) . .
C3 C8 C2 121.6(5) 2 .
C3 C7 C8 120.7(5) . .
C3 C7 H7A 119.7 . .
C8 C7 H7A 119.7 . .
C9 C6 C12 114.2(4) . .
C9 C6 H6A 108.7 . .
C12 C6 H6A 108.7 . .
C9 C6 H6B 108.7 . .
C12 C6 H6B 108.7 . .
H6A C6 H6B 107.6 . .
N2 C5 C12 107.2(4) . .
N2 C5 C14 120.3(5) . .
C12 C5 C14 132.5(5) . .
N1 C4 C12 111.0(5) . .
N1 C4 C15 119.7(5) . .
C12 C4 C15 129.3(5) . .
C7 C3 C8 120.2(5) . 2
C7 C3 H3A 119.9 . .
C8 C3 H3A 119.9 2 .
O1 C2 O2 120.5(5) . .
O1 C2 C8 120.7(5) . .
O2 C2 C8 118.7(5) . .
O1 C2 Cd1 64.0(3) . .
O2 C2 Cd1 56.8(3) . .
C8 C2 Cd1 171.2(4) . .
C10 C1 H1A 109.5 . .
C10 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C10 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C16 O4 Cd1 103.3(5) . .
C16 O3 Cd1 82.4(5) . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C5 C14 H14A 109.5 . .
C5 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C5 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C19 C17 C18 119.5(6) . .
C19 C17 C16 120.7(8) . .
C18 C17 C16 119.8(8) . .
C4 C15 H15A 109.5 . .
C4 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C4 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C18 C19 120.4(8) . 2_765
C17 C18 H18A 119.8 . .
C19 C18 H18A 119.8 2_765 .
O3 C16 O4 122.3(7) . .
O3 C16 C17 120.1(9) . .
O4 C16 C17 117.5(8) . .
C17 C19 C18 120.1(8) . 2_765
C17 C19 H19A 119.9 . .
C18 C19 H19A 119.9 2_765 .
O2W O1W O3W 138.8(17) 1_445 2_646
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O4 2.235(6) .
Cd1 N1 2.241(7) 2_756
Cd1 N3 2.299(5) .
Cd1 O2 2.307(5) .
Cd1 O1 2.464(7) .
Cd1 O3 2.710(7) .
Cd1 C2 2.742(8) .
O2 C2 1.260(7) .
N4 C11 1.342(7) .
N4 N3 1.361(6) .
N4 H4A 0.8600 .
N3 C10 1.332(6) .
N2 C5 1.350(7) .
N2 N1 1.359(6) .
N2 H2A 0.8600 .
C12 C5 1.387(7) .
C12 C4 1.395(7) .
C12 C6 1.513(7) .
O1 C2 1.250(7) .
C11 C9 1.383(7) .
C11 C13 1.489(8) .
N1 C4 1.343(7) .
N1 Cd1 2.241(7) 2_756
C10 C9 1.409(7) .
C10 C1 1.502(7) .
C9 C6 1.504(7) .
C8 C7 1.381(7) .
C8 C3 1.386(7) 2
C8 C2 1.514(7) .
C7 C3 1.380(8) .
C7 H7A 0.9300 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C5 C14 1.493(8) .
C4 C15 1.486(8) .
C3 C8 1.386(7) 2
C3 H3A 0.9300 .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
O4 C16 1.286(11) .
O3 C16 1.231(10) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C17 C19 1.368(11) .
C17 C18 1.391(11) .
C17 C16 1.509(9) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C18 C19 1.398(9) 2_765
C18 H18A 0.9300 .
C19 C18 1.398(9) 2_765
C19 H19A 0.9300 .
O1W O2W 1.32(2) 1_445
O1W O3W 1.48(2) 2_646
O2W O1W 1.32(2) 1_665
O3W O1W 1.48(2) 2_646
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
O4 Cd1 O2 C2 -85.8(4) . .
N1 Cd1 O2 C2 67.7(4) 2_756 .
N3 Cd1 O2 C2 163.4(4) . .
O1 Cd1 O2 C2 3.3(3) . .
O3 Cd1 O2 C2 -99.2(4) . .
C11 N4 N3 C10 -1.1(6) . .
C11 N4 N3 Cd1 173.3(3) . .
O4 Cd1 N3 C10 95.4(5) . .
N1 Cd1 N3 C10 -38.3(5) 2_756 .
O2 Cd1 N3 C10 -171.9(5) . .
O1 Cd1 N3 C10 -150.2(5) . .
O3 Cd1 N3 C10 42.1(5) . .
C2 Cd1 N3 C10 -164.0(5) . .
O4 Cd1 N3 N4 -76.7(4) . .
N1 Cd1 N3 N4 149.5(3) 2_756 .
O2 Cd1 N3 N4 15.9(3) . .
O1 Cd1 N3 N4 37.7(4) . .
O3 Cd1 N3 N4 -130.0(4) . .
C2 Cd1 N3 N4 23.8(4) . .
O4 Cd1 O1 C2 91.8(4) . .
N1 Cd1 O1 C2 -142.4(3) 2_756 .
N3 Cd1 O1 C2 -30.1(4) . .
O2 Cd1 O1 C2 -3.3(3) . .
O3 Cd1 O1 C2 135.0(4) . .
N3 N4 C11 C9 1.5(6) . .
N3 N4 C11 C13 -177.5(5) . .
C5 N2 N1 C4 0.0(6) . .
C5 N2 N1 Cd1 151.3(3) . 2_756
N4 N3 C10 C9 0.3(5) . .
Cd1 N3 C10 C9 -172.5(4) . .
N4 N3 C10 C1 177.7(5) . .
Cd1 N3 C10 C1 5.0(8) . .
N4 C11 C9 C10 -1.2(5) . .
C13 C11 C9 C10 177.6(6) . .
N4 C11 C9 C6 179.5(5) . .
C13 C11 C9 C6 -1.7(9) . .
N3 C10 C9 C11 0.5(6) . .
C1 C10 C9 C11 -176.7(5) . .
N3 C10 C9 C6 179.9(5) . .
C1 C10 C9 C6 2.6(9) . .
C3 C8 C7 C3 -0.6(9) 2 .
C2 C8 C7 C3 -176.8(5) . .
C11 C9 C6 C12 -108.6(6) . .
C10 C9 C6 C12 72.2(7) . .
C5 C12 C6 C9 62.8(7) . .
C4 C12 C6 C9 -115.9(6) . .
N1 N2 C5 C12 -0.9(5) . .
N1 N2 C5 C14 -179.9(5) . .
C4 C12 C5 N2 1.3(5) . .
C6 C12 C5 N2 -177.6(4) . .
C4 C12 C5 C14 -179.9(6) . .
C6 C12 C5 C14 1.2(9) . .
N2 N1 C4 C12 0.9(6) . .
Cd1 N1 C4 C12 -148.2(4) 2_756 .
N2 N1 C4 C15 -179.9(6) . .
Cd1 N1 C4 C15 31.1(8) 2_756 .
C5 C12 C4 N1 -1.4(6) . .
C6 C12 C4 N1 177.5(4) . .
C5 C12 C4 C15 179.5(7) . .
C6 C12 C4 C15 -1.6(10) . .
C8 C7 C3 C8 0.6(9) . 2
Cd1 O1 C2 O2 5.7(5) . .
Cd1 O1 C2 C8 -171.5(4) . .
Cd1 O2 C2 O1 -6.1(6) . .
Cd1 O2 C2 C8 171.2(4) . .
C7 C8 C2 O1 -175.7(5) . .
C3 C8 C2 O1 8.2(8) 2 .
C7 C8 C2 O2 7.0(8) . .
C3 C8 C2 O2 -169.1(5) 2 .
C7 C8 C2 Cd1 64(3) . .
C3 C8 C2 Cd1 -112(2) 2 .
O4 Cd1 C2 O1 -89.6(4) . .
N1 Cd1 C2 O1 44.0(4) 2_756 .
N3 Cd1 C2 O1 156.9(3) . .
O2 Cd1 C2 O1 174.2(6) . .
O3 Cd1 C2 O1 -66.9(5) . .
O4 Cd1 C2 O2 96.3(4) . .
N1 Cd1 C2 O2 -130.2(3) 2_756 .
N3 Cd1 C2 O2 -17.2(4) . .
O1 Cd1 C2 O2 -174.2(6) . .
O3 Cd1 C2 O2 118.9(4) . .
O4 Cd1 C2 C8 34(3) . .
N1 Cd1 C2 C8 168(2) 2_756 .
N3 Cd1 C2 C8 -79(3) . .
O2 Cd1 C2 C8 -62(2) . .
O1 Cd1 C2 C8 124(3) . .
O3 Cd1 C2 C8 57(3) . .
N1 Cd1 O4 C16 33.4(5) 2_756 .
N3 Cd1 O4 C16 -86.7(4) . .
O2 Cd1 O4 C16 -169.5(4) . .
O1 Cd1 O4 C16 136.2(4) . .
O3 Cd1 O4 C16 1.1(4) . .
C2 Cd1 O4 C16 163.3(4) . .
O4 Cd1 O3 C16 -1.1(4) . .
N1 Cd1 O3 C16 -154.6(4) 2_756 .
N3 Cd1 O3 C16 107.3(4) . .
O2 Cd1 O3 C16 15.9(5) . .
O1 Cd1 O3 C16 -61.5(4) . .
C2 Cd1 O3 C16 -30.4(5) . .
C19 C17 C18 C19 -0.5(10) . 2_765
C16 C17 C18 C19 -179.7(5) . 2_765
Cd1 O3 C16 O4 1.8(6) . .
Cd1 O3 C16 C17 -176.8(5) . .
Cd1 O4 C16 O3 -2.3(7) . .
Cd1 O4 C16 C17 176.4(4) . .
C19 C17 C16 O3 176.8(6) . .
C18 C17 C16 O3 -4.0(9) . .
C19 C17 C16 O4 -1.8(9) . .
C18 C17 C16 O4 177.4(5) . .
C18 C17 C19 C18 0.5(10) . 2_765
C16 C17 C19 C18 179.7(5) . 2_765
