#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:26:56 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179328 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/25/4322574.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_4322574
loop_
_publ_author_name
'Antonia Neels'
'Helen Stoeckli-Evans'
_publ_section_title
;
 Trinuclear Zinc(II) Complexes and Polymeric Cadmium(II) Complexes with
 the Ligand 2,5-Bis(2-pyridyl)pyrazine: Synthesis, Spectral Analysis, and
 Single-Crystal and Powder X-ray Analyses
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6164
_journal_page_last               6170
_journal_paper_doi               10.1021/ic990843v
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C18 H26 Cd N4 O9'
_chemical_formula_weight         554.83
_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           SHELXL97
_cell_angle_alpha                100.480(10)
_cell_angle_beta                 95.050(10)
_cell_angle_gamma                95.860(10)
_cell_formula_units_Z            2
_cell_length_a                   9.0450(10)
_cell_length_b                   10.4380(10)
_cell_length_c                   12.7190(10)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      19
_cell_measurement_theta_min      14
_cell_volume                     1167.6(2)
_computing_cell_refinement       'STOE STADI4'
_computing_data_collection       'STOE STADI4'
_computing_data_reduction        'STOE XRED'
_computing_molecular_graphics    'PLATON (Spec, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measurement_device       'STOE-Siemens AED2'
_diffrn_measurement_method       omega/theta
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4127
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.64
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.989
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_description       bloc
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.756
_refine_diff_density_min         -0.597
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.028
_refine_ls_goodness_of_fit_obs   1.053
_refine_ls_matrix_type           full
_refine_ls_number_parameters     393
_refine_ls_number_reflns         4127
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_restrained_S_obs      1.053
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_obs          0.0294
_refine_ls_shift/esd_max         0.260
_refine_ls_shift/esd_mean        0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0455P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0744
_refine_ls_wR_factor_obs         0.0717
_reflns_number_observed          3694
_reflns_number_total             4127
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic990843v_4.cif
_cod_data_source_block           compound4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0455P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0455P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4322574
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Cd1 Cd 0.40617(2) 0.22205(2) 0.25320(2) 0.02258(9) Uani 1 d . .
O1 O 0.2811(3) 0.1725(2) 0.4002(2) 0.0361(5) Uani 1 d . .
O2 O 0.3758(3) 0.0086(2) 0.3089(2) 0.0393(6) Uani 1 d . .
O3 O 0.2114(3) 0.3507(2) 0.2117(2) 0.0393(6) Uani 1 d . .
O4 O 0.1581(3) 0.1461(2) 0.1286(2) 0.0453(6) Uani 1 d . .
N1 N 0.4719(3) 0.4148(2) 0.4017(2) 0.0235(5) Uani 1 d . .
N2 N 0.6586(3) 0.2337(2) 0.3408(2) 0.0255(6) Uani 1 d . .
N3 N 0.4729(3) 0.0770(2) 0.0946(2) 0.0261(6) Uani 1 d . .
N4 N 0.5419(3) 0.3397(2) 0.1388(2) 0.0271(6) Uani 1 d . .
C1 C 0.6010(3) 0.4210(3) 0.4635(2) 0.0230(6) Uani 1 d . .
C2 C 0.6272(3) 0.5070(3) 0.5625(2) 0.0253(6) Uani 1 d . .
C3 C 0.7108(3) 0.3335(3) 0.4226(2) 0.0251(6) Uani 1 d . .
C4 C 0.8588(4) 0.3537(3) 0.4657(3) 0.0337(8) Uani 1 d . .
C5 C 0.9572(4) 0.2706(4) 0.4227(3) 0.0373(8) Uani 1 d . .
C6 C 0.9039(4) 0.1677(4) 0.3407(3) 0.0359(8) Uani 1 d . .
C7 C 0.7548(4) 0.1530(3) 0.3019(3) 0.0304(7) Uani 1 d . .
C8 C 0.5377(3) 0.1315(3) 0.0208(2) 0.0223(6) Uani 1 d . .
C9 C 0.5646(4) 0.0523(3) -0.0743(3) 0.0292(7) Uani 1 d . .
C10 C 0.5805(3) 0.2763(3) 0.0459(2) 0.0238(6) Uani 1 d . .
C11 C 0.6569(4) 0.3417(3) -0.0222(3) 0.0316(7) Uani 1 d . .
C12 C 0.6986(4) 0.4750(3) 0.0085(3) 0.0346(8) Uani 1 d . .
C13 C 0.6640(4) 0.5397(3) 0.1052(3) 0.0363(8) Uani 1 d . .
C14 C 0.5839(4) 0.4687(3) 0.1668(3) 0.0347(8) Uani 1 d . .
C15 C 0.3054(4) 0.0547(3) 0.3846(3) 0.0315(7) Uani 1 d . .
C16 C 0.2510(8) -0.0305(5) 0.4601(4) 0.0628(15) Uani 1 d . .
C17 C 0.1258(4) 0.2614(3) 0.1503(3) 0.0327(7) Uani 1 d . .
C18 C -0.0180(5) 0.2940(5) 0.0996(4) 0.0506(11) Uani 1 d . .
H2 H 0.7133(36) 0.5098(31) 0.6073(25) 0.023(8) Uiso 1 d . .
H4 H 0.8906(38) 0.4230(35) 0.5220(29) 0.034(9) Uiso 1 d . .
H5 H 1.0588(46) 0.2831(38) 0.4520(32) 0.052(11) Uiso 1 d . .
H6 H 0.9620(41) 0.1092(36) 0.3042(29) 0.042(10) Uiso 1 d . .
H7 H 0.7185(34) 0.0824(31) 0.2482(25) 0.024(8) Uiso 1 d . .
H9 H 0.6117(36) 0.0842(32) -0.1277(26) 0.027(8) Uiso 1 d . .
H11 H 0.6766(37) 0.2947(34) -0.0831(28) 0.031(9) Uiso 1 d . .
H12 H 0.7516(37) 0.5192(32) -0.0314(26) 0.028(9) Uiso 1 d . .
H13 H 0.6964(41) 0.6357(38) 0.1283(29) 0.044(10) Uiso 1 d . .
H14 H 0.5571(39) 0.5082(35) 0.2303(29) 0.040(10) Uiso 1 d . .
H16A H 0.2172(62) 0.0125(54) 0.5123(47) 0.087(18) Uiso 1 d . .
H16B H 0.2029(86) -0.1044(77) 0.4164(61) 0.160(32) Uiso 1 d . .
H16C H 0.3329(88) -0.0445(80) 0.4948(64) 0.158(38) Uiso 1 d . .
H18A H -0.0923(67) 0.2214(60) 0.0914(48) 0.111(21) Uiso 1 d . .
H18B H -0.0540(59) 0.3480(54) 0.1416(44) 0.084(19) Uiso 1 d . .
H18C H -0.0041(70) 0.3122(65) 0.0226(54) 0.130(24) Uiso 1 d . .
O1W O 0.3014(3) 0.2989(3) 0.6168(3) 0.0458(7) Uani 1 d . .
O2W O 0.4317(4) -0.2471(3) 0.2882(3) 0.0595(8) Uani 1 d . .
O3W O 0.1517(4) 0.6173(4) 0.2464(3) 0.0609(8) Uani 1 d . .
O4W O 0.0964(5) 0.0538(4) -0.1062(3) 0.0684(10) Uani 1 d . .
O5W O 0.9262(4) 0.7850(4) 0.2682(3) 0.0679(10) Uani 1 d . .
H1W H 0.2888(46) 0.2529(42) 0.5492(37) 0.056(13) Uiso 1 d . .
H2W H 0.2379(44) 0.2676(38) 0.6419(31) 0.035(12) Uiso 1 d . .
H3W H 0.4238(45) -0.1674(43) 0.3026(32) 0.048(12) Uiso 1 d . .
H4W H 0.5227(53) -0.2465(43) 0.3170(36) 0.063(15) Uiso 1 d . .
H5W H 0.1569(44) 0.5438(41) 0.2316(31) 0.039(12) Uiso 1 d . .
H6W H 0.2481(72) 0.6648(61) 0.2668(48) 0.115(24) Uiso 1 d . .
H7W H 0.1192(65) 0.0777(58) -0.0430(51) 0.093(22) Uiso 1 d . .
H8W H 0.0105(107) 0.0060(99) -0.1092(76) 0.222(51) Uiso 1 d . .
H9W H 0.9409(64) 0.8352(59) 0.1995(48) 0.111(21) Uiso 1 d . .
H10W H 0.9789(60) 0.7428(51) 0.2637(44) 0.066(20) Uiso 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
O1 Cd1 O3 88.97(8) . . ?
O1 Cd1 N4 162.06(8) . . ?
O3 Cd1 N4 83.91(8) . . ?
O1 Cd1 N2 96.24(8) . . ?
O3 Cd1 N2 143.95(8) . . ?
N4 Cd1 N2 80.33(9) . . ?
O1 Cd1 N3 130.56(8) . . ?
O3 Cd1 N3 113.23(8) . . ?
N4 Cd1 N3 67.29(8) . . ?
N2 Cd1 N3 90.10(8) . . ?
O1 Cd1 O2 53.67(8) . . ?
O3 Cd1 O2 126.89(8) . . ?
N4 Cd1 O2 141.93(8) . . ?
N2 Cd1 O2 82.91(8) . . ?
N3 Cd1 O2 78.86(8) . . ?
O1 Cd1 N1 73.57(8) . . ?
O3 Cd1 N1 80.42(8) . . ?
N4 Cd1 N1 88.98(8) . . ?
N2 Cd1 N1 67.14(8) . . ?
N3 Cd1 N1 150.01(8) . . ?
O2 Cd1 N1 115.31(8) . . ?
O1 Cd1 O4 89.02(8) . . ?
O3 Cd1 O4 51.79(8) . . ?
N4 Cd1 O4 99.32(9) . . ?
N2 Cd1 O4 163.16(8) . . ?
N3 Cd1 O4 74.47(8) . . ?
O2 Cd1 O4 87.42(8) . . ?
N1 Cd1 O4 129.67(8) . . ?
O1 Cd1 Cd1 91.82(6) . 2 ?
O3 Cd1 Cd1 63.85(6) . 2 ?
N4 Cd1 Cd1 99.71(6) . 2 ?
N2 Cd1 Cd1 150.87(6) . 2 ?
N3 Cd1 Cd1 63.89(6) . 2 ?
O2 Cd1 Cd1 79.49(6) . 2 ?
N1 Cd1 Cd1 141.79(6) . 2 ?
O4 Cd1 Cd1 12.32(5) . 2 ?
C15 O1 Cd1 94.4(2) . . ?
C15 O2 Cd1 90.8(2) . . ?
C17 O3 Cd1 97.8(2) . . ?
C17 O4 Cd1 88.5(2) . . ?
C2 N1 C1 118.0(3) 2_666 . ?
C2 N1 Cd1 122.8(2) 2_666 . ?
C1 N1 Cd1 117.3(2) . . ?
C7 N2 C3 117.9(3) . . ?
C7 N2 Cd1 121.8(2) . . ?
C3 N2 Cd1 119.8(2) . . ?
C9 N3 C8 118.5(3) 2_655 . ?
C9 N3 Cd1 123.0(2) 2_655 . ?
C8 N3 Cd1 118.3(2) . . ?
C14 N4 C10 118.1(3) . . ?
C14 N4 Cd1 121.3(2) . . ?
C10 N4 Cd1 120.6(2) . . ?
N1 C1 C2 119.8(3) . . ?
N1 C1 C3 117.5(3) . . ?
C2 C1 C3 122.6(3) . . ?
N1 C2 C1 122.2(3) 2_666 . ?
N1 C2 H2 116.8(20) 2_666 . ?
C1 C2 H2 121.0(20) . . ?
N2 C3 C4 121.8(3) . . ?
N2 C3 C1 116.3(3) . . ?
C4 C3 C1 121.9(3) . . ?
C3 C4 C5 119.4(3) . . ?
C3 C4 H4 119.5(21) . . ?
C5 C4 H4 121.1(21) . . ?
C6 C5 C4 118.9(3) . . ?
C6 C5 H5 121.0(24) . . ?
C4 C5 H5 120.1(24) . . ?
C5 C6 C7 118.6(3) . . ?
C5 C6 H6 125.3(23) . . ?
C7 C6 H6 115.9(23) . . ?
N2 C7 C6 123.4(3) . . ?
N2 C7 H7 118.0(20) . . ?
C6 C7 H7 118.6(20) . . ?
N3 C8 C9 119.4(3) . . ?
N3 C8 C10 117.5(3) . . ?
C9 C8 C10 123.1(3) . . ?
N3 C9 C8 122.1(3) 2_655 . ?
N3 C9 H9 114.5(20) 2_655 . ?
C8 C9 H9 123.4(20) . . ?
N4 C10 C11 121.8(3) . . ?
N4 C10 C8 116.0(3) . . ?
C11 C10 C8 122.2(3) . . ?
C12 C11 C10 119.0(3) . . ?
C12 C11 H11 123.7(23) . . ?
C10 C11 H11 117.3(22) . . ?
C13 C12 C11 119.5(3) . . ?
C13 C12 H12 119.0(21) . . ?
C11 C12 H12 121.4(21) . . ?
C12 C13 C14 118.1(3) . . ?
C12 C13 H13 119.6(21) . . ?
C14 C13 H13 122.3(21) . . ?
N4 C14 C13 123.5(3) . . ?
N4 C14 H14 115.8(23) . . ?
C13 C14 H14 120.7(23) . . ?
O2 C15 O1 121.1(3) . . ?
O2 C15 C16 120.1(3) . . ?
O1 C15 C16 118.8(3) . . ?
C15 C16 H16A 112.0(38) . . ?
C15 C16 H16B 104.7(47) . . ?
H16A C16 H16B 125.4(60) . . ?
C15 C16 H16C 103.4(54) . . ?
H16A C16 H16C 96.9(59) . . ?
H16B C16 H16C 112.6(66) . . ?
O3 C17 O4 121.9(3) . . ?
O3 C17 C18 118.8(3) . . ?
O4 C17 C18 119.3(3) . . ?
C17 C18 H18A 109.5(36) . . ?
C17 C18 H18B 110.6(39) . . ?
H18A C18 H18B 100.3(49) . . ?
C17 C18 H18C 109.8(35) . . ?
H18A C18 H18C 107.2(48) . . ?
H18B C18 H18C 118.7(51) . . ?
H1W O1W H2W 102.6(40) . . ?
H3W O2W H4W 99.8(39) . . ?
H5W O3W H6W 110.7(47) . . ?
H7W O4W H8W 102.8(68) . . ?
H9W O5W H10W 102.6(54) . . ?
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 O1 2.377(2) . ?
Cd1 O3 2.401(2) . ?
Cd1 N4 2.406(3) . ?
Cd1 N2 2.432(3) . ?
Cd1 N3 2.453(2) . ?
Cd1 O2 2.455(2) . ?
Cd1 N1 2.478(2) . ?
Cd1 O4 2.594(3) . ?
Cd1 Cd1 9.5296(14) 2 ?
O1 C15 1.255(4) . ?
O2 C15 1.251(4) . ?
O3 C17 1.249(4) . ?
O4 C17 1.255(4) . ?
N1 C2 1.328(4) 2_666 ?
N1 C1 1.338(4) . ?
N2 C7 1.336(4) . ?
N2 C3 1.346(4) . ?
N3 C9 1.330(4) 2_655 ?
N3 C8 1.331(4) . ?
N4 C14 1.335(4) . ?
N4 C10 1.338(4) . ?
C1 C2 1.394(4) . ?
C1 C3 1.481(4) . ?
C2 N1 1.328(4) 2_666 ?
C2 H2 0.92(3) . ?
C3 C4 1.381(5) . ?
C4 C5 1.383(5) . ?
C4 H4 0.92(4) . ?
C5 C6 1.369(5) . ?
C5 H5 0.95(4) . ?
C6 C7 1.378(5) . ?
C6 H6 0.93(4) . ?
C7 H7 0.92(3) . ?
C8 C9 1.391(4) . ?
C8 C10 1.490(4) . ?
C9 N3 1.330(4) 2_655 ?
C9 H9 0.93(3) . ?
C10 C11 1.384(4) . ?
C11 C12 1.378(5) . ?
C11 H11 0.88(3) . ?
C12 C13 1.370(5) . ?
C12 H12 0.88(3) . ?
C13 C14 1.375(5) . ?
C13 H13 1.00(4) . ?
C14 H14 0.90(4) . ?
C15 C16 1.503(5) . ?
C16 H16A 0.83(6) . ?
C16 H16B 0.91(8) . ?
C16 H16C 0.87(8) . ?
C17 C18 1.499(5) . ?
C18 H18A 0.94(6) . ?
C18 H18B 0.82(5) . ?
C18 H18C 1.05(7) . ?
O1W H1W 0.90(5) . ?
O1W H2W 0.76(4) . ?
O2W H3W 0.83(4) . ?
O2W H4W 0.87(5) . ?
O3W H5W 0.76(4) . ?
O3W H6W 0.95(6) . ?
O4W H7W 0.80(6) . ?
O4W H8W 0.87(10) . ?
O5W H9W 1.11(6) . ?
O5W H10W 0.68(5) . ?
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
O3 Cd1 O1 C15 139.4(2) . . . . ?
N4 Cd1 O1 C15 -154.2(3) . . . . ?
N2 Cd1 O1 C15 -76.4(2) . . . . ?
N3 Cd1 O1 C15 19.1(2) . . . . ?
O2 Cd1 O1 C15 0.1(2) . . . . ?
N1 Cd1 O1 C15 -140.3(2) . . . . ?
O4 Cd1 O1 C15 87.6(2) . . . . ?
Cd1 Cd1 O1 C15 75.6(2) 2 . . . ?
O1 Cd1 O2 C15 -0.1(2) . . . . ?
O3 Cd1 O2 C15 -54.6(2) . . . . ?
N4 Cd1 O2 C15 167.4(2) . . . . ?
N2 Cd1 O2 C15 103.1(2) . . . . ?
N3 Cd1 O2 C15 -165.4(2) . . . . ?
N1 Cd1 O2 C15 42.5(2) . . . . ?
O4 Cd1 O2 C15 -90.8(2) . . . . ?
Cd1 Cd1 O2 C15 -100.2(2) 2 . . . ?
O1 Cd1 O3 C17 -89.3(2) . . . . ?
N4 Cd1 O3 C17 107.2(2) . . . . ?
N2 Cd1 O3 C17 171.5(2) . . . . ?
N3 Cd1 O3 C17 45.1(2) . . . . ?
O2 Cd1 O3 C17 -48.3(2) . . . . ?
N1 Cd1 O3 C17 -162.8(2) . . . . ?
O4 Cd1 O3 C17 0.3(2) . . . . ?
Cd1 Cd1 O3 C17 3.2(2) 2 . . . ?
O1 Cd1 O4 C17 89.2(2) . . . . ?
O3 Cd1 O4 C17 -0.3(2) . . . . ?
N4 Cd1 O4 C17 -74.8(2) . . . . ?
N2 Cd1 O4 C17 -162.2(3) . . . . ?
N3 Cd1 O4 C17 -138.0(2) . . . . ?
O2 Cd1 O4 C17 142.9(2) . . . . ?
N1 Cd1 O4 C17 21.6(2) . . . . ?
Cd1 Cd1 O4 C17 -167.7(4) 2 . . . ?
O1 Cd1 N1 C2 -67.7(2) . . . 2_666 ?
O3 Cd1 N1 C2 24.0(2) . . . 2_666 ?
N4 Cd1 N1 C2 108.0(2) . . . 2_666 ?
N2 Cd1 N1 C2 -172.0(2) . . . 2_666 ?
N3 Cd1 N1 C2 144.6(2) . . . 2_666 ?
O2 Cd1 N1 C2 -102.4(2) . . . 2_666 ?
O4 Cd1 N1 C2 6.8(3) . . . 2_666 ?
Cd1 Cd1 N1 C2 3.6(3) 2 . . 2_666 ?
O1 Cd1 N1 C1 96.2(2) . . . . ?
O3 Cd1 N1 C1 -172.1(2) . . . . ?
N4 Cd1 N1 C1 -88.1(2) . . . . ?
N2 Cd1 N1 C1 -8.2(2) . . . . ?
N3 Cd1 N1 C1 -51.5(3) . . . . ?
O2 Cd1 N1 C1 61.5(2) . . . . ?
O4 Cd1 N1 C1 170.6(2) . . . . ?
Cd1 Cd1 N1 C1 167.4(2) 2 . . . ?
O1 Cd1 N2 C7 118.9(2) . . . . ?
O3 Cd1 N2 C7 -144.2(2) . . . . ?
N4 Cd1 N2 C7 -78.9(2) . . . . ?
N3 Cd1 N2 C7 -11.9(2) . . . . ?
O2 Cd1 N2 C7 66.8(2) . . . . ?
N1 Cd1 N2 C7 -171.9(3) . . . . ?
O4 Cd1 N2 C7 11.4(4) . . . . ?
Cd1 Cd1 N2 C7 13.7(3) 2 . . . ?
O1 Cd1 N2 C3 -69.6(2) . . . . ?
O3 Cd1 N2 C3 27.2(3) . . . . ?
N4 Cd1 N2 C3 92.6(2) . . . . ?
N3 Cd1 N2 C3 159.5(2) . . . . ?
O2 Cd1 N2 C3 -121.8(2) . . . . ?
N1 Cd1 N2 C3 -0.4(2) . . . . ?
O4 Cd1 N2 C3 -177.2(2) . . . . ?
Cd1 Cd1 N2 C3 -174.83(15) 2 . . . ?
O1 Cd1 N3 C9 3.2(3) . . . 2_655 ?
O3 Cd1 N3 C9 -106.8(2) . . . 2_655 ?
N4 Cd1 N3 C9 -179.1(3) . . . 2_655 ?
N2 Cd1 N3 C9 101.5(3) . . . 2_655 ?
O2 Cd1 N3 C9 18.7(2) . . . 2_655 ?
N1 Cd1 N3 C9 140.7(2) . . . 2_655 ?
O4 Cd1 N3 C9 -71.7(2) . . . 2_655 ?
Cd1 Cd1 N3 C9 -64.9(2) 2 . . 2_655 ?
O1 Cd1 N3 C8 176.9(2) . . . . ?
O3 Cd1 N3 C8 66.9(2) . . . . ?
N4 Cd1 N3 C8 -5.3(2) . . . . ?
N2 Cd1 N3 C8 -84.8(2) . . . . ?
O2 Cd1 N3 C8 -167.5(2) . . . . ?
N1 Cd1 N3 C8 -45.5(3) . . . . ?
O4 Cd1 N3 C8 102.1(2) . . . . ?
Cd1 Cd1 N3 C8 108.8(2) 2 . . . ?
O1 Cd1 N4 C14 -0.5(4) . . . . ?
O3 Cd1 N4 C14 66.7(3) . . . . ?
N2 Cd1 N4 C14 -80.8(3) . . . . ?
N3 Cd1 N4 C14 -175.0(3) . . . . ?
O2 Cd1 N4 C14 -145.9(2) . . . . ?
N1 Cd1 N4 C14 -13.8(3) . . . . ?
O4 Cd1 N4 C14 116.3(3) . . . . ?
Cd1 Cd1 N4 C14 128.8(2) 2 . . . ?
O1 Cd1 N4 C10 177.9(2) . . . . ?
O3 Cd1 N4 C10 -115.0(2) . . . . ?
N2 Cd1 N4 C10 97.6(2) . . . . ?
N3 Cd1 N4 C10 3.4(2) . . . . ?
O2 Cd1 N4 C10 32.4(3) . . . . ?
N1 Cd1 N4 C10 164.5(2) . . . . ?
O4 Cd1 N4 C10 -65.4(2) . . . . ?
Cd1 Cd1 N4 C10 -52.9(2) 2 . . . ?
C2 N1 C1 C2 0.6(5) 2_666 . . . ?
Cd1 N1 C1 C2 -164.1(2) . . . . ?
C2 N1 C1 C3 -179.9(3) 2_666 . . . ?
Cd1 N1 C1 C3 15.4(3) . . . . ?
N1 C1 C2 N1 -0.6(5) . . . 2_666 ?
C3 C1 C2 N1 179.9(3) . . . 2_666 ?
C7 N2 C3 C4 0.2(4) . . . . ?
Cd1 N2 C3 C4 -171.6(2) . . . . ?
C7 N2 C3 C1 179.8(3) . . . . ?
Cd1 N2 C3 C1 8.1(3) . . . . ?
N1 C1 C3 N2 -15.7(4) . . . . ?
C2 C1 C3 N2 163.8(3) . . . . ?
N1 C1 C3 C4 163.9(3) . . . . ?
C2 C1 C3 C4 -16.6(5) . . . . ?
N2 C3 C4 C5 1.1(5) . . . . ?
C1 C3 C4 C5 -178.5(3) . . . . ?
C3 C4 C5 C6 -2.1(5) . . . . ?
C4 C5 C6 C7 1.8(5) . . . . ?
C3 N2 C7 C6 -0.5(5) . . . . ?
Cd1 N2 C7 C6 171.1(3) . . . . ?
C5 C6 C7 N2 -0.5(5) . . . . ?
C9 N3 C8 C9 -0.3(5) 2_655 . . . ?
Cd1 N3 C8 C9 -174.3(2) . . . . ?
C9 N3 C8 C10 -179.2(3) 2_655 . . . ?
Cd1 N3 C8 C10 6.7(3) . . . . ?
N3 C8 C9 N3 0.3(5) . . . 2_655 ?
C10 C8 C9 N3 179.2(3) . . . 2_655 ?
C14 N4 C10 C11 -2.5(5) . . . . ?
Cd1 N4 C10 C11 179.1(2) . . . . ?
C14 N4 C10 C8 177.0(3) . . . . ?
Cd1 N4 C10 C8 -1.4(3) . . . . ?
N3 C8 C10 N4 -3.6(4) . . . . ?
C9 C8 C10 N4 177.5(3) . . . . ?
N3 C8 C10 C11 175.9(3) . . . . ?
C9 C8 C10 C11 -3.0(5) . . . . ?
N4 C10 C11 C12 2.3(5) . . . . ?
C8 C10 C11 C12 -177.2(3) . . . . ?
C10 C11 C12 C13 0.1(5) . . . . ?
C11 C12 C13 C14 -2.1(5) . . . . ?
C10 N4 C14 C13 0.3(5) . . . . ?
Cd1 N4 C14 C13 178.7(3) . . . . ?
C12 C13 C14 N4 1.9(6) . . . . ?
Cd1 O2 C15 O1 0.1(3) . . . . ?
Cd1 O2 C15 C16 -178.6(4) . . . . ?
Cd1 O1 C15 O2 -0.1(3) . . . . ?
Cd1 O1 C15 C16 178.6(4) . . . . ?
Cd1 O3 C17 O4 -0.5(4) . . . . ?
Cd1 O3 C17 C18 -179.2(3) . . . . ?
Cd1 O4 C17 O3 0.5(3) . . . . ?
Cd1 O4 C17 C18 179.2(3) . . . . ?
