#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/62/2226224.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_2226224
loop_
_publ_author_name
'Pochodylo, Amy L.'
'LaDuca, Robert L.'
_publ_section_title
;
 catena-Poly[[diaquacadmium(II)]bis(μ-2,2-dimethylbutanedioato-κ⁴O,O':O'',O''')[diaquacadmium(II)]-μ-1,4-bis(3-pyridylmethyl)piperazine-κ²N³:N^3'^]
;
_journal_coeditor_code           LH5049
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m708
_journal_paper_doi               10.1107/S1600536810018799
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cd2 (C6 H8 O4)2 (C16 H20 N4) (H2 O)4]'
_chemical_formula_moiety         'C14 H22 Cd N2 O6'
_chemical_formula_sum            'C14 H22 Cd N2 O6'
_chemical_formula_weight         426.74
_chemical_name_systematic
;
catena-Poly[[diaquacadmium(II)]bis(μ-2,2-dimethylbutanedioato-
κ⁴O,O':O'',O''')[diaquacadmium(II)]-μ-
1,4-bis(3-pyridylmethyl)piperazine-κ²N³:N^3'^]
;
_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                114.461(3)
_cell_angle_beta                 101.274(3)
_cell_angle_gamma                106.687(2)
_cell_formula_units_Z            2
_cell_length_a                   9.275(3)
_cell_length_b                   10.378(3)
_cell_length_c                   10.625(5)
_cell_measurement_reflns_used    12027
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.26
_cell_volume                     831.7(5)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics
;
CrystalMaker (Palmer, 2007)
;
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       ω-φ
_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  0.0576
_diffrn_reflns_av_sigmaI/netI    0.0488
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12027
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.26
_diffrn_standards_decay_%        '< 1'
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.344
_exptl_absorpt_correction_T_max  0.8404
_exptl_absorpt_correction_T_min  0.7230
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.704
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.645
_refine_diff_density_min         -1.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         3047
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0352
_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)+(0.0539P)²+0.0373P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0978
_refine_ls_wR_factor_ref         0.0985
_reflns_number_gt                2909
_reflns_number_total             3047
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh5049.cif
_cod_data_source_block           I
_cod_original_cell_volume        831.6(5)
_cod_database_code               2226224
_cod_database_fobs_code          2226224
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 0.18482(2) 0.45331(2) 0.36199(2) 0.03562(13) Uani d . 1 . .
O O1 0.0456(2) 0.6107(3) 0.3511(2) 0.0425(5) Uani d . 1 . .
O O2 -0.0444(3) 0.3806(3) 0.1510(3) 0.0436(5) Uani d . 1 . .
O O3 -0.3418(3) 0.5696(3) 0.4297(3) 0.0452(5) Uani d . 1 . .
O O4 -0.2497(3) 0.3895(3) 0.3798(3) 0.0423(5) Uani d . 1 . .
O O5 -0.0262(3) 0.2695(3) 0.3722(3) 0.0413(5) Uani d D 1 . .
H H5C -0.098(4) 0.297(5) 0.346(4) 0.050 Uiso d D 1 . .
H H5D -0.007(4) 0.295(4) 0.461(2) 0.050 Uiso d D 1 . .
O O6 0.4016(3) 0.6335(3) 0.3687(3) 0.0389(5) Uani d D 1 . .
H H6C 0.483(3) 0.611(4) 0.379(4) 0.047 Uiso d D 1 . .
H H6D 0.430(4) 0.720(3) 0.441(3) 0.047 Uiso d D 1 . .
N N1 0.2421(3) 0.2552(3) 0.2065(3) 0.0369(5) Uani d . 1 . .
N N2 0.5008(3) 0.0578(3) 0.3970(3) 0.0367(5) Uani d . 1 . .
C C1 0.1678(4) 0.1796(4) 0.0587(4) 0.0418(7) Uani d . 1 . .
H H1 0.0989 0.2150 0.0165 0.050 Uiso calc R 1 . .
C C2 0.1890(4) 0.0519(4) -0.0333(4) 0.0460(8) Uani d . 1 . .
H H2 0.1354 0.0005 -0.1376 0.055 Uiso calc R 1 . .
C C3 0.2875(4) -0.0005(4) 0.0262(4) 0.0435(7) Uani d . 1 . .
H H3 0.2997 -0.0904 -0.0364 0.052 Uiso calc R 1 . .
C C4 0.3700(4) 0.0788(4) 0.1793(4) 0.0375(6) Uani d . 1 . .
C C5 0.3413(4) 0.2057(4) 0.2633(4) 0.0392(7) Uani d . 1 . .
H H5 0.3956 0.2609 0.3677 0.047 Uiso calc R 1 . .
C C6 0.4891(4) 0.0317(4) 0.2474(4) 0.0405(7) Uani d . 1 . .
H H6A 0.4588 -0.0801 0.1810 0.049 Uiso calc R 1 . .
H H6B 0.5971 0.0900 0.2520 0.049 Uiso calc R 1 . .
C C7 0.3498(4) -0.0430(4) 0.3945(4) 0.0402(7) Uani d . 1 . .
H H7A 0.3231 -0.1530 0.3243 0.048 Uiso calc R 1 . .
H H7B 0.2605 -0.0176 0.3595 0.048 Uiso calc R 1 . .
C C8 0.6337(4) 0.0216(4) 0.4535(4) 0.0400(7) Uani d . 1 . .
H H8A 0.7361 0.0906 0.4580 0.048 Uiso calc R 1 . .
H H8B 0.6126 -0.0871 0.3846 0.048 Uiso calc R 1 . .
C C9 -0.0570(4) 0.5055(4) 0.2235(3) 0.0373(7) Uani d . 1 . .
C C10 -0.2056(4) 0.5280(4) 0.1593(4) 0.0390(7) Uani d . 1 . .
C C11 -0.3507(4) 0.4289(4) 0.1793(3) 0.0400(7) Uani d . 1 . .
H H11A -0.4454 0.4496 0.1483 0.048 Uiso calc R 1 . .
H H11B -0.3787 0.3173 0.1142 0.048 Uiso calc R 1 . .
C C12 -0.3141(3) 0.4641(4) 0.3390(3) 0.0377(7) Uani d . 1 . .
C C13 -0.2436(4) 0.4650(4) -0.0073(4) 0.0471(8) Uani d . 1 . .
H H13A -0.3426 0.4721 -0.0503 0.071 Uiso calc R 1 . .
H H13B -0.2585 0.3561 -0.0552 0.071 Uiso calc R 1 . .
H H13C -0.1540 0.5264 -0.0228 0.071 Uiso calc R 1 . .
C C14 -0.1754(4) 0.6995(4) 0.2367(4) 0.0478(8) Uani d . 1 . .
H H14A -0.0781 0.7601 0.2292 0.072 Uiso calc R 1 . .
H H14B -0.1607 0.7363 0.3414 0.072 Uiso calc R 1 . .
H H14C -0.2681 0.7121 0.1892 0.072 Uiso calc R 1 . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
H14B C14 H14C . . 109.5 ?
O6 Cd1 N1 . . 90.10(9) ?
O6 Cd1 O5 . . 175.51(7) ?
N1 Cd1 O5 . . 90.19(9) ?
O6 Cd1 O4 . 2_566 90.71(8) ?
N1 Cd1 O4 . 2_566 138.03(8) ?
O5 Cd1 O4 . 2_566 86.08(8) ?
O6 Cd1 O1 . . 86.80(8) ?
N1 Cd1 O1 . . 140.28(8) ?
O5 Cd1 O1 . . 95.83(8) ?
O4 Cd1 O1 2_566 . 81.63(8) ?
O6 Cd1 O2 . . 106.73(8) ?
N1 Cd1 O2 . . 88.92(8) ?
O5 Cd1 O2 . . 77.76(8) ?
O4 Cd1 O2 2_566 . 130.56(8) ?
O1 Cd1 O2 . . 54.59(7) ?
O6 Cd1 O3 . 2_566 95.93(8) ?
N1 Cd1 O3 . 2_566 85.50(8) ?
O5 Cd1 O3 . 2_566 79.62(8) ?
O4 Cd1 O3 2_566 2_566 52.70(8) ?
O1 Cd1 O3 . 2_566 134.21(7) ?
O2 Cd1 O3 . 2_566 156.67(9) ?
O6 Cd1 C9 . . 98.97(9) ?
N1 Cd1 C9 . . 115.36(9) ?
O5 Cd1 C9 . . 84.95(9) ?
O4 Cd1 C9 2_566 . 105.92(9) ?
O1 Cd1 C9 . . 27.43(8) ?
O2 Cd1 C9 . . 27.24(8) ?
O3 Cd1 C9 2_566 . 154.14(8) ?
C9 O1 Cd1 . . 92.76(18) ?
C9 O2 Cd1 . . 90.42(18) ?
C12 O3 Cd1 . 2_566 89.11(19) ?
C12 O4 Cd1 . 2_566 96.79(19) ?
Cd1 O5 H5C . . 96(3) ?
Cd1 O5 H5D . . 107(3) ?
H5C O5 H5D . . 108(3) ?
Cd1 O6 H6C . . 111(3) ?
Cd1 O6 H6D . . 110(3) ?
H6C O6 H6D . . 106(3) ?
C5 N1 C1 . . 118.2(3) ?
C5 N1 Cd1 . . 120.3(2) ?
C1 N1 Cd1 . . 121.3(2) ?
C6 N2 C7 . . 111.3(3) ?
C6 N2 C8 . . 108.4(2) ?
C7 N2 C8 . . 108.8(2) ?
N1 C1 C2 . . 121.6(3) ?
N1 C1 H1 . . 119.2 ?
C2 C1 H1 . . 119.2 ?
C3 C2 C1 . . 119.8(3) ?
C3 C2 H2 . . 120.1 ?
C1 C2 H2 . . 120.1 ?
C2 C3 C4 . . 119.8(3) ?
C2 C3 H3 . . 120.1 ?
C4 C3 H3 . . 120.1 ?
C5 C4 C3 . . 116.5(3) ?
C5 C4 C6 . . 122.3(3) ?
C3 C4 C6 . . 121.2(3) ?
N1 C5 C4 . . 124.1(3) ?
N1 C5 H5 . . 118.0 ?
C4 C5 H5 . . 118.0 ?
N2 C6 C4 . . 115.3(3) ?
N2 C6 H6A . . 108.5 ?
C4 C6 H6A . . 108.5 ?
N2 C6 H6B . . 108.5 ?
C4 C6 H6B . . 108.5 ?
H6A C6 H6B . . 107.5 ?
N2 C7 C8 . 2_656 110.9(3) ?
N2 C7 H7A . . 109.5 ?
C8 C7 H7A 2_656 . 109.5 ?
N2 C7 H7B . . 109.5 ?
C8 C7 H7B 2_656 . 109.5 ?
H7A C7 H7B . . 108.1 ?
N2 C8 C7 . 2_656 111.1(2) ?
N2 C8 H8A . . 109.4 ?
C7 C8 H8A 2_656 . 109.4 ?
N2 C8 H8B . . 109.4 ?
C7 C8 H8B 2_656 . 109.4 ?
H8A C8 H8B . . 108.0 ?
O2 C9 O1 . . 121.9(3) ?
O2 C9 C10 . . 119.1(3) ?
O1 C9 C10 . . 118.9(3) ?
O2 C9 Cd1 . . 62.34(16) ?
O1 C9 Cd1 . . 59.80(16) ?
C10 C9 Cd1 . . 171.7(2) ?
C14 C10 C13 . . 110.1(3) ?
C14 C10 C9 . . 110.8(3) ?
C13 C10 C9 . . 109.0(3) ?
C14 C10 C11 . . 111.3(3) ?
C13 C10 C11 . . 107.9(3) ?
C9 C10 C11 . . 107.5(3) ?
C12 C11 C10 . . 112.2(3) ?
C12 C11 H11A . . 109.2 ?
C10 C11 H11A . . 109.2 ?
C12 C11 H11B . . 109.2 ?
C10 C11 H11B . . 109.2 ?
H11A C11 H11B . . 107.9 ?
O3 C12 O4 . . 120.7(3) ?
O3 C12 C11 . . 120.6(3) ?
O4 C12 C11 . . 118.6(3) ?
C10 C13 H13A . . 109.5 ?
C10 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C10 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C10 C14 H14A . . 109.5 ?
C10 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C10 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cd1 O6 . 2.284(2) ?
Cd1 N1 . 2.323(3) ?
Cd1 O5 . 2.364(2) ?
Cd1 O4 2_566 2.374(3) ?
Cd1 O1 . 2.378(2) ?
Cd1 O2 . 2.435(2) ?
Cd1 O3 2_566 2.540(2) ?
O1 C9 . 1.268(4) ?
O2 C9 . 1.258(4) ?
O3 C12 . 1.256(4) ?
O4 C12 . 1.259(4) ?
O5 H5C . 0.84(4) ?
O5 H5D . 0.830(18) ?
O6 H6C . 0.851(18) ?
O6 H6D . 0.825(18) ?
N1 C5 . 1.336(4) ?
N1 C1 . 1.342(4) ?
N2 C6 . 1.474(4) ?
N2 C7 . 1.475(4) ?
N2 C8 . 1.478(4) ?
C1 C2 . 1.379(5) ?
C1 H1 . 0.9500 ?
C2 C3 . 1.369(5) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.397(5) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.386(4) ?
C4 C6 . 1.507(5) ?
C5 H5 . 0.9500 ?
C6 H6A . 0.9900 ?
C6 H6B . 0.9900 ?
C7 C8 2_656 1.506(4) ?
C7 H7A . 0.9900 ?
C7 H7B . 0.9900 ?
C8 C7 2_656 1.506(4) ?
C8 H8A . 0.9900 ?
C8 H8B . 0.9900 ?
C9 C10 . 1.539(4) ?
C10 C14 . 1.528(4) ?
C10 C13 . 1.532(4) ?
C10 C11 . 1.553(5) ?
C11 C12 . 1.523(4) ?
C11 H11A . 0.9900 ?
C11 H11B . 0.9900 ?
C13 H13A . 0.9800 ?
C13 H13B . 0.9800 ?
C13 H13C . 0.9800 ?
C14 H14A . 0.9800 ?
C14 H14B . 0.9800 ?
C14 H14C . 0.9800 ?
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
_geom_hbond_publ_flag
O5 H5C O4 . 0.84(4) 1.93(2) 2.705(3) 154(4) y
O5 H5D O1 2_566 0.830(18) 1.99(2) 2.744(3) 152(3) y
O6 H6C O3 1_655 0.851(18) 1.836(19) 2.679(3) 171(4) y
O6 H6D N2 2_666 0.825(18) 2.031(19) 2.851(4) 173(4) y
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_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O6 Cd1 O1 C9 . . . . 116.54(18) ?
N1 Cd1 O1 C9 . . . . 30.2(2) ?
O5 Cd1 O1 C9 . . . . -67.12(18) ?
O4 Cd1 O1 C9 2_566 . . . -152.27(18) ?
O2 Cd1 O1 C9 . . . . 3.36(16) ?
O3 Cd1 O1 C9 2_566 . . . -148.30(17) ?
O6 Cd1 O2 C9 . . . . -76.80(18) ?
N1 Cd1 O2 C9 . . . . -166.58(17) ?
O5 Cd1 O2 C9 . . . . 102.99(18) ?
O4 Cd1 O2 C9 2_566 . . . 29.1(2) ?
O1 Cd1 O2 C9 . . . . -3.38(16) ?
O3 Cd1 O2 C9 2_566 . . . 117.4(2) ?
O6 Cd1 N1 C5 . . . . 89.2(2) ?
O5 Cd1 N1 C5 . . . . -86.3(2) ?
O4 Cd1 N1 C5 2_566 . . . -1.9(3) ?
O1 Cd1 N1 C5 . . . . 174.34(19) ?
O2 Cd1 N1 C5 . . . . -164.0(2) ?
O3 Cd1 N1 C5 2_566 . . . -6.7(2) ?
C9 Cd1 N1 C5 . . . . -170.8(2) ?
O6 Cd1 N1 C1 . . . . -96.0(2) ?
O5 Cd1 N1 C1 . . . . 88.5(2) ?
O4 Cd1 N1 C1 2_566 . . . 172.8(2) ?
O1 Cd1 N1 C1 . . . . -10.9(3) ?
O2 Cd1 N1 C1 . . . . 10.7(2) ?
O3 Cd1 N1 C1 2_566 . . . 168.1(2) ?
C9 Cd1 N1 C1 . . . . 4.0(3) ?
C5 N1 C1 C2 . . . . 1.5(5) ?
Cd1 N1 C1 C2 . . . . -173.4(2) ?
N1 C1 C2 C3 . . . . 0.2(5) ?
C1 C2 C3 C4 . . . . -2.1(5) ?
C2 C3 C4 C5 . . . . 2.1(5) ?
C2 C3 C4 C6 . . . . -175.2(3) ?
C1 N1 C5 C4 . . . . -1.4(5) ?
Cd1 N1 C5 C4 . . . . 173.5(2) ?
C3 C4 C5 N1 . . . . -0.4(5) ?
C6 C4 C5 N1 . . . . 176.9(3) ?
C7 N2 C6 C4 . . . . 66.3(3) ?
C8 N2 C6 C4 . . . . -174.1(3) ?
C5 C4 C6 N2 . . . . 34.4(4) ?
C3 C4 C6 N2 . . . . -148.3(3) ?
C6 N2 C7 C8 . . . 2_656 176.9(2) ?
C8 N2 C7 C8 . . . 2_656 57.5(3) ?
C6 N2 C8 C7 . . . 2_656 -178.9(2) ?
C7 N2 C8 C7 . . . 2_656 -57.7(4) ?
Cd1 O2 C9 O1 . . . . 6.1(3) ?
Cd1 O2 C9 C10 . . . . -170.7(2) ?
Cd1 O1 C9 O2 . . . . -6.2(3) ?
Cd1 O1 C9 C10 . . . . 170.6(2) ?
O6 Cd1 C9 O2 . . . . 109.28(17) ?
N1 Cd1 C9 O2 . . . . 14.88(19) ?
O5 Cd1 C9 O2 . . . . -72.93(17) ?
O4 Cd1 C9 O2 2_566 . . . -157.39(16) ?
O1 Cd1 C9 O2 . . . . 174.0(3) ?
O3 Cd1 C9 O2 2_566 . . . -126.3(2) ?
O6 Cd1 C9 O1 . . . . -64.73(18) ?
N1 Cd1 C9 O1 . . . . -159.13(16) ?
O5 Cd1 C9 O1 . . . . 113.06(18) ?
O4 Cd1 C9 O1 2_566 . . . 28.61(18) ?
O2 Cd1 C9 O1 . . . . -174.0(3) ?
O3 Cd1 C9 O1 2_566 . . . 59.7(3) ?
O2 C9 C10 C14 . . . . -162.7(3) ?
O1 C9 C10 C14 . . . . 20.4(4) ?
O2 C9 C10 C13 . . . . -41.4(4) ?
O1 C9 C10 C13 . . . . 141.7(3) ?
O2 C9 C10 C11 . . . . 75.4(3) ?
O1 C9 C10 C11 . . . . -101.5(3) ?
C14 C10 C11 C12 . . . . -68.5(3) ?
C13 C10 C11 C12 . . . . 170.5(3) ?
C9 C10 C11 C12 . . . . 53.1(3) ?
Cd1 O3 C12 O4 2_566 . . . 8.2(3) ?
Cd1 O3 C12 C11 2_566 . . . -169.0(2) ?
Cd1 O4 C12 O3 2_566 . . . -8.9(3) ?
Cd1 O4 C12 C11 2_566 . . . 168.4(2) ?
C10 C11 C12 O3 . . . . 89.1(3) ?
C10 C11 C12 O4 . . . . -88.2(3) ?
