#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008513.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_2008513
loop_
_publ_author_name
'Gonz\'alez-Silgo, C.'
'Gonz\'alez-Platas, J.'
'Ruiz-P\'erez, C.'
'L\'opez, T.'
'Torres, M. E.'
_publ_section_title
;
 Polymeric
 aqua-1\k<i>O</i>-bis[\m-(<i>R</i>,<i>R</i>)-tartrato-1\k^2^<i>O</i>^1^,<i>O</i>^2^:2\k^2^<i>O</i>^3^,<i>O</i>^4^]dicadmium(II)
 trihydrate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              710
_journal_page_last               712
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Cd2 (C4 H4 O6 )2 (H2 O)], 3H2 O'
_chemical_formula_moiety         'C8 H10 Cd2 O13, 3H2 O'
_chemical_formula_sum            'C8 H16 Cd2 O16'
_chemical_formula_weight         593.00
_chemical_name_systematic
;
Polimeric (Aqua-1\kO)bis[(R,R)-tartrato-1\k^2^O^1^,O^2^:2\k^2^O^3^,O^4^]
dicadmium(II) Trihydrate
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.654(2)
_cell_length_b                   11.578(2)
_cell_length_c                   17.771(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      10.0
_cell_volume                     1574.8(6)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1994)'
_computing_data_reduction        'XCAD-4 (Harms, 1996)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1994)'
_computing_publication_material  'PARST95 (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1998)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'Enraf Nonius CAD4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0275
_diffrn_reflns_limit_h_max       2
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            9802
_diffrn_reflns_theta_full        0,998
_diffrn_reflns_theta_max         29.98
_diffrn_reflns_theta_min         2.89
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.789
_exptl_absorpt_correction_T_max  0.572
_exptl_absorpt_correction_T_min  0.505
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'azimuthal (\y) scans (North et al., 1968)'
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    2.501
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.799
_refine_diff_density_min         -0.643
_refine_ls_abs_structure_details 'Flack  (1983)'
_refine_ls_abs_structure_Flack   0.02(3)
_refine_ls_extinction_coef       0.0022(2)
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_all   1.204
_refine_ls_goodness_of_fit_ref   1.204
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         4572
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.204
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0280
_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/[\s^2^(Fo^2^)+(0.0306P)^2^+2.1830P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0717
_refine_ls_wR_factor_ref         0.0717
_reflns_number_gt                4543
_reflns_number_total             4572
_reflns_threshold_expression     'I >2\s(I)'
_[local]_cod_data_source_file    sk1241.cif
_[local]_cod_data_source_block   ull45
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' 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_database_code               2008513
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
loop_
_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_type_symbol
Cd1 -0.08849(3) -0.75470(2) -0.394717(12) 0.02070(7) Uani d . 1 Cd
Cd2 -0.21974(3) -0.26052(2) -0.381932(12) 0.02024(7) Uani d . 1 Cd
O1 0.0578(4) -0.7050(2) -0.28668(17) 0.0282(5) Uani d . 1 O
O2 0.0467(4) -0.6276(2) -0.17186(16) 0.0266(5) Uani d . 1 O
O3 -0.2611(3) -0.6360(2) -0.32096(14) 0.0223(5) Uani d . 1 O
H3O -0.3665 -0.6238 -0.3231 0.054(9) Uiso calc R 1 H
O4 -0.0881(3) -0.4259(2) -0.32030(14) 0.0199(4) Uani d . 1 O
H4O -0.0988 -0.4747 -0.3535 0.054(9) Uiso calc R 1 H
O5 -0.4062(4) -0.3302(3) -0.29878(17) 0.0284(6) Uani d . 1 O
O6 -0.4608(5) -0.4453(4) -0.2017(2) 0.0495(10) Uani d . 1 O
O7 -0.2784(4) -0.7300(2) -0.48751(15) 0.0297(6) Uani d . 1 O
O8 -0.3845(4) -0.6195(3) -0.57847(18) 0.0375(8) Uani d . 1 O
O9 -0.0330(3) -0.5701(2) -0.45131(15) 0.0237(5) Uani d . 1 O
H9O 0.0726 -0.5692 -0.4590 0.054(9) Uiso calc R 1 H
O10 -0.3102(4) -0.4059(3) -0.47050(18) 0.0310(6) Uani d . 1 O
H10O -0.4064 -0.4319 -0.4817 0.054(9) Uiso calc R 1 H
O11 -0.0349(4) -0.2654(3) -0.48013(16) 0.0339(6) Uani d . 1 O
O12 0.0744(5) -0.3609(3) -0.57841(18) 0.0369(7) Uani d . 1 O
O1W -0.2193(5) -0.9117(3) -0.3448(3) 0.0489(10) Uani d . 1 O
O2W -0.7460(6) -0.3415(5) -0.3491(3) 0.0758(16) Uani d . 1 O
O3W 0.5947(6) -0.1525(6) -0.1595(3) 0.091(2) Uani d . 1 O
O4W -0.3168(8) -0.0058(5) -0.0389(4) 0.0776(16) Uani d . 1 O
C1 -0.0164(5) -0.6473(3) -0.2364(2) 0.0197(6) Uani d . 1 C
C2 -0.1951(4) -0.5939(3) -0.25219(19) 0.0188(6) Uani d . 1 C
H2 -0.2755 -0.6156 -0.2117 0.041(8) Uiso calc R 1 H
C3 -0.1826(5) -0.4613(3) -0.25546(17) 0.0181(6) Uani d . 1 C
H3 -0.1181 -0.4352 -0.2110 0.041(8) Uiso calc R 1 H
C4 -0.3652(5) -0.4087(3) -0.2523(2) 0.0227(7) Uani d . 1 C
C5 -0.2741(5) -0.6417(3) -0.52839(19) 0.0220(6) Uani d . 1 C
C6 -0.1234(5) -0.5546(3) -0.52066(19) 0.0196(6) Uani d . 1 C
H6 -0.0405 -0.5692 -0.5616 0.041(8) Uiso calc R 1 H
C7 -0.1888(5) -0.4316(3) -0.5287(2) 0.0210(6) Uani d . 1 C
H7 -0.2495 -0.4250 -0.5770 0.041(8) Uiso calc R 1 H
C8 -0.0378(5) -0.3450(3) -0.5282(2) 0.0246(7) Uani d . 1 C
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cd1 0.02001(10) 0.02005(11) 0.02204(11) 0.00320(8) -0.00193(7) -0.00032(9)
Cd2 0.02198(11) 0.01992(10) 0.01883(10) -0.00173(9) -0.00161(7) 0.00031(8)
O1 0.0197(12) 0.0300(12) 0.0348(14) 0.0073(10) -0.0071(10) -0.0054(11)
O2 0.0295(13) 0.0260(12) 0.0244(13) 0.0030(10) -0.0116(11) 0.0013(10)
O3 0.0128(10) 0.0318(12) 0.0222(11) 0.0034(9) -0.0050(9) -0.0066(9)
O4 0.0172(10) 0.0241(11) 0.0184(11) -0.0008(9) 0.0029(9) 0.0023(9)
O5 0.0196(12) 0.0339(14) 0.0317(14) 0.0062(10) 0.0007(11) 0.0105(11)
O6 0.0347(17) 0.063(2) 0.051(2) 0.0216(17) 0.0273(16) 0.0281(18)
O7 0.0312(13) 0.0267(13) 0.0312(12) -0.0101(11) -0.0111(10) 0.0073(10)
O8 0.0392(17) 0.0399(16) 0.0335(15) -0.0187(13) -0.0231(13) 0.0114(12)
O9 0.0167(11) 0.0281(12) 0.0262(12) -0.0045(9) -0.0088(10) 0.0041(10)
O10 0.0190(12) 0.0347(14) 0.0393(15) -0.0073(10) 0.0087(11) -0.0146(12)
O11 0.0346(13) 0.0358(15) 0.0312(12) -0.0166(13) 0.0098(11) -0.0103(13)
O12 0.0438(17) 0.0320(14) 0.0349(15) -0.0119(13) 0.0209(14) -0.0048(12)
O1W 0.0269(15) 0.0285(14) 0.091(3) 0.0025(13) 0.0202(19) 0.0163(16)
O2W 0.044(2) 0.091(4) 0.092(4) 0.013(2) -0.029(2) -0.028(3)
O3W 0.0266(19) 0.155(6) 0.092(4) 0.027(3) -0.008(2) -0.058(4)
O4W 0.077(4) 0.075(3) 0.081(4) -0.010(3) -0.023(3) 0.008(3)
C1 0.0189(14) 0.0164(13) 0.0239(15) -0.0013(11) -0.0042(12) 0.0028(11)
C2 0.0144(13) 0.0235(15) 0.0184(13) 0.0002(11) -0.0005(11) 0.0010(11)
C3 0.0194(15) 0.0215(14) 0.0133(12) 0.0030(11) 0.0001(10) -0.0004(11)
C4 0.0172(15) 0.0268(16) 0.0242(15) 0.0064(12) 0.0043(12) 0.0009(13)
C5 0.0196(14) 0.0264(15) 0.0200(14) -0.0053(13) -0.0020(12) -0.0005(12)
C6 0.0210(15) 0.0211(14) 0.0166(13) -0.0040(12) -0.0002(11) 0.0002(11)
C7 0.0208(15) 0.0227(14) 0.0195(14) -0.0035(12) -0.0017(12) -0.0014(11)
C8 0.0284(17) 0.0257(15) 0.0199(15) -0.0067(14) 0.0006(13) 0.0012(12)
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'
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_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-4 6 0
-1 0 -7
-6 -4 -2
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
O8 Cd1 O7 3_534 . 113.08(12)
O8 Cd1 O1W 3_534 . 82.32(12)
O7 Cd1 O1W . . 96.07(14)
O8 Cd1 O1 3_534 . 90.04(12)
O7 Cd1 O1 . . 155.44(10)
O1W Cd1 O1 . . 95.13(15)
O8 Cd1 O3 3_534 . 157.89(11)
O7 Cd1 O3 . . 88.29(10)
O1W Cd1 O3 . . 90.14(13)
O1 Cd1 O3 . . 69.88(9)
O8 Cd1 O9 3_534 . 112.04(11)
O7 Cd1 O9 . . 71.89(9)
O1W Cd1 O9 . . 163.83(11)
O1 Cd1 O9 . . 92.35(10)
O3 Cd1 O9 . . 79.00(10)
O5 Cd2 O12 . 3_444 89.14(12)
O5 Cd2 O2 . 4_554 110.30(11)
O12 Cd2 O2 3_444 4_554 96.87(11)
O5 Cd2 O11 . . 156.62(11)
O12 Cd2 O11 3_444 . 102.46(13)
O2 Cd2 O11 4_554 . 88.65(11)
O5 Cd2 O10 . . 89.79(11)
O12 Cd2 O10 3_444 . 91.76(11)
O2 Cd2 O10 4_554 . 158.15(10)
O11 Cd2 O10 . . 69.86(10)
O5 Cd2 O4 . . 71.20(9)
O12 Cd2 O4 3_444 . 159.33(11)
O2 Cd2 O4 4_554 . 95.95(9)
O11 Cd2 O4 . . 93.97(11)
O10 Cd2 O4 . . 82.12(10)
C1 O1 Cd1 . . 120.6(2)
C1 O2 Cd2 . 4_544 119.2(2)
C2 O3 Cd1 . . 119.47(19)
C2 O3 H3O . . 109.5
Cd1 O3 H3O . . 129.6
C3 O4 Cd2 . . 112.47(19)
C3 O4 H4O . . 109.5
Cd2 O4 H4O . . 100.2
C4 O5 Cd2 . . 122.6(2)
C5 O7 Cd1 . . 121.3(2)
C5 O8 Cd1 . 3_434 120.0(2)
C6 O9 Cd1 . . 112.87(19)
C6 O9 H9O . . 109.5
Cd1 O9 H9O . . 104.8
C7 O10 Cd2 . . 115.7(2)
C7 O10 H10O . . 109.5
Cd2 O10 H10O . . 132.4
C8 O11 Cd2 . . 122.3(2)
C8 O12 Cd2 . 3_544 128.2(3)
O1 C1 O2 . . 124.8(3)
O1 C1 C2 . . 119.4(3)
O2 C1 C2 . . 115.8(3)
O3 C2 C1 . . 109.9(3)
O3 C2 C3 . . 109.5(3)
C1 C2 C3 . . 110.8(3)
O3 C2 H2 . . 108.8
C1 C2 H2 . . 108.8
C3 C2 H2 . . 108.8
O4 C3 C4 . . 112.4(3)
O4 C3 C2 . . 110.5(3)
C4 C3 C2 . . 109.9(3)
O4 C3 H3 . . 108.0
C4 C3 H3 . . 108.0
C2 C3 H3 . . 108.0
O6 C4 O5 . . 125.1(4)
O6 C4 C3 . . 115.6(3)
O5 C4 C3 . . 119.2(3)
O8 C5 O7 . . 124.1(3)
O8 C5 C6 . . 115.8(3)
O7 C5 C6 . . 120.1(3)
O9 C6 C7 . . 111.1(3)
O9 C6 C5 . . 111.0(3)
C7 C6 C5 . . 111.1(3)
O9 C6 H6 . . 107.8
C7 C6 H6 . . 107.8
C5 C6 H6 . . 107.8
O10 C7 C6 . . 110.1(3)
O10 C7 C8 . . 110.6(3)
C6 C7 C8 . . 111.4(3)
O10 C7 H7 . . 108.2
C6 C7 H7 . . 108.2
C8 C7 H7 . . 108.2
O12 C8 O11 . . 125.4(4)
O12 C8 C7 . . 114.7(3)
O11 C8 C7 . . 119.9(3)
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 O8 3_534 2.188(3) yes
Cd1 O7 . 2.217(3) yes
Cd1 O1W . 2.257(3) yes
Cd1 O1 . 2.296(3) yes
Cd1 O3 . 2.314(2) yes
Cd1 O9 . 2.400(3) yes
Cd2 O5 . 2.207(3) yes
Cd2 O12 3_444 2.226(3) yes
Cd2 O2 4_554 2.244(3) yes
Cd2 O11 . 2.247(3) yes
Cd2 O10 . 2.406(3) yes
Cd2 O4 . 2.425(3) yes
O1 C1 . 1.253(5) ?
O2 C1 . 1.265(4) ?
O2 Cd2 4_544 2.244(3) ?
O3 C2 . 1.409(4) ?
O3 H3O . 0.8200 ?
O4 C3 . 1.421(4) ?
O4 H4O . 0.8200 ?
O5 C4 . 1.268(5) ?
O6 C4 . 1.234(5) ?
O7 C5 . 1.255(4) ?
O8 C5 . 1.253(4) ?
O8 Cd1 3_434 2.188(3) ?
O9 C6 . 1.425(4) ?
O9 H9O . 0.8200 ?
O10 C7 . 1.422(4) ?
O10 H10O . 0.8200 ?
O11 C8 . 1.257(5) ?
O12 C8 . 1.252(5) ?
O12 Cd2 3_544 2.226(3) ?
C1 C2 . 1.527(5) ?
C2 C3 . 1.539(5) ?
C2 H2 . 0.9800 ?
C3 C4 . 1.526(5) ?
C3 H3 . 0.9800 ?
C5 C6 . 1.538(5) ?
C6 C7 . 1.516(5) ?
C6 H6 . 0.9800 ?
C7 C8 . 1.530(5) ?
C7 H7 . 0.9800 ?
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
O1W O6 2.613(6) 4_444 yes
O1W O2 2.843(4) 4_544 yes
O1W O8 2.925(5) 3_534 yes
O2W O5 2.753(6) . yes
O2W O4W 2.795(9) 4_444 yes
O2W O4 2.841(5) 1_455 yes
O3W O3 2.584(5) 4_554 yes
O3W O4W 2.817(9) 1_655 yes
O3W O1 2.891(6) 4_654 yes
O4W O9 2.785(7) 4_554 yes
O4W O2W 2.795(9) 4_454 yes
O4W O3W 2.817(9) 1_455 yes
O4W O10 3.085(7) 4_454 yes
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
O3 H3O O3W 4_544 0.820 1.805 2.584(5) 158.26 yes
O4 H4O O9 . 0.820 2.121 2.896(4) 157.52 yes
O4 H4O O3 . 0.820 2.316 2.769(3) 115.44 yes
O9 H9O O4W 4_544 0.820 2.009 2.785(7) 157.66 yes
O10 H10O O4W 4_444 0.820 2.313 3.085(7) 156.86 yes
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
O8 Cd1 O1 C1 3_534 -165.7(3)
O7 Cd1 O1 C1 . 33.4(4)
O1W Cd1 O1 C1 . -83.4(3)
O3 Cd1 O1 C1 . 4.8(3)
O9 Cd1 O1 C1 . 82.2(3)
O8 Cd1 O3 C2 3_534 26.7(4)
O7 Cd1 O3 C2 . -167.7(2)
O1W Cd1 O3 C2 . 96.3(3)
O1 Cd1 O3 C2 . 0.9(2)
O9 Cd1 O3 C2 . -95.8(2)
O5 Cd2 O4 C3 . -12.4(2)
O12 Cd2 O4 C3 3_444 -31.1(4)
O2 Cd2 O4 C3 4_554 97.1(2)
O11 Cd2 O4 C3 . -173.9(2)
O10 Cd2 O4 C3 . -104.9(2)
O12 Cd2 O5 C4 3_444 -178.4(3)
O2 Cd2 O5 C4 4_554 -81.4(3)
O11 Cd2 O5 C4 . 61.0(5)
O10 Cd2 O5 C4 . 89.8(3)
O4 Cd2 O5 C4 . 8.1(3)
O8 Cd1 O7 C5 3_534 -104.3(3)
O1W Cd1 O7 C5 . 171.5(3)
O1 Cd1 O7 C5 . 54.8(4)
O3 Cd1 O7 C5 . 81.5(3)
O9 Cd1 O7 C5 . 2.6(3)
O8 Cd1 O9 C6 3_534 96.5(2)
O7 Cd1 O9 C6 . -11.8(2)
O1W Cd1 O9 C6 . -55.0(6)
O1 Cd1 O9 C6 . -172.5(2)
O3 Cd1 O9 C6 . -103.6(2)
O5 Cd2 O10 C7 . -157.9(3)
O12 Cd2 O10 C7 3_444 113.0(3)
O2 Cd2 O10 C7 4_554 -0.5(5)
O11 Cd2 O10 C7 . 10.4(2)
O4 Cd2 O10 C7 . -86.8(3)
O5 Cd2 O11 C8 . 19.8(5)
O12 Cd2 O11 C8 3_444 -98.4(3)
O2 Cd2 O11 C8 4_554 164.9(3)
O10 Cd2 O11 C8 . -11.1(3)
O4 Cd2 O11 C8 . 69.0(3)
Cd1 O1 C1 O2 . 171.4(3)
Cd1 O1 C1 C2 . -9.6(4)
Cd2 O2 C1 O1 4_544 -32.1(5)
Cd2 O2 C1 C2 4_544 148.8(2)
Cd1 O3 C2 C1 . -5.1(3)
Cd1 O3 C2 C3 . 116.9(2)
O1 C1 C2 O3 . 9.4(4)
O2 C1 C2 O3 . -171.5(3)
O1 C1 C2 C3 . -111.8(4)
O2 C1 C2 C3 . 67.3(4)
Cd2 O4 C3 C4 . 15.0(3)
Cd2 O4 C3 C2 . 138.2(2)
O3 C2 C3 O4 . -52.5(3)
C1 C2 C3 O4 . 69.0(3)
O3 C2 C3 C4 . 72.1(3)
C1 C2 C3 C4 . -166.4(3)
Cd2 O5 C4 O6 . 175.1(4)
Cd2 O5 C4 C3 . -2.6(5)
O4 C3 C4 O6 . 172.7(4)
C2 C3 C4 O6 . 49.2(5)
O4 C3 C4 O5 . -9.4(5)
C2 C3 C4 O5 . -132.9(4)
Cd1 O8 C5 O7 3_434 -5.2(6)
Cd1 O8 C5 C6 3_434 172.7(2)
Cd1 O7 C5 O8 . -175.3(3)
Cd1 O7 C5 C6 . 6.9(5)
Cd1 O9 C6 C7 . 142.0(2)
Cd1 O9 C6 C5 . 17.9(3)
O8 C5 C6 O9 . 164.8(3)
O7 C5 C6 O9 . -17.2(5)
O8 C5 C6 C7 . 40.6(4)
O7 C5 C6 C7 . -141.4(3)
Cd2 O10 C7 C6 . 114.5(3)
Cd2 O10 C7 C8 . -9.1(4)
O9 C6 C7 O10 . -62.2(4)
C5 C6 C7 O10 . 62.0(4)
O9 C6 C7 C8 . 61.0(4)
C5 C6 C7 C8 . -174.8(3)
Cd2 O12 C8 O11 3_544 -14.8(7)
Cd2 O12 C8 C7 3_544 164.6(3)
Cd2 O11 C8 O12 . -170.4(3)
Cd2 O11 C8 C7 . 10.2(5)
O10 C7 C8 O12 . -179.3(4)
C6 C7 C8 O12 . 57.8(4)
O10 C7 C8 O11 . 0.1(5)
C6 C7 C8 O11 . -122.8(4)