# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
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data_global


data_cdru-ceng
#TrackingRef 'web_deposit_cif_file_0_BinLiu_1354688896.cis-CdRuCO3.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C8 H16 Cd2 K2 O32 Ru4, 3(O)'
_chemical_formula_sum            'C8 H16 Cd2 K2 O35 Ru4'
_chemical_formula_weight         1379.49

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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   8.7950(18)
_cell_length_b                   17.516(4)
_cell_length_c                   20.637(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3179.1(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       plate
_exptl_crystal_colour            red-brown
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.882
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2616
_exptl_absorpt_coefficient_mu    3.556
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4583
_exptl_absorpt_correction_T_max  0.5366
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'APEX II CCD'
_diffrn_measurement_method       '\w-\p scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            32829
_diffrn_reflns_av_R_equivalents  0.0908
_diffrn_reflns_av_sigmaI/netI    0.0768
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.04
_diffrn_reflns_theta_max         27.48
_reflns_number_total             7264
_reflns_number_gt                6192
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0509P)^2^+0.3206P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   1.04(5)
_refine_ls_number_reflns         7264
_refine_ls_number_parameters     442
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_gt           0.0579
_refine_ls_wR_factor_ref         0.1187
_refine_ls_wR_factor_gt          0.1125
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.004

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.36562(10) 0.38027(4) 0.24512(4) 0.0247(2) Uani 1 1 d . . .
Cd2 Cd 0.00366(9) 0.69380(5) 0.25208(4) 0.0255(2) Uani 1 1 d . . .
Ru1 Ru 0.59379(8) 0.66242(4) 0.56032(4) 0.01058(17) Uani 1 1 d . . .
Ru2 Ru 0.41097(8) 0.57169(4) 0.56001(4) 0.01062(17) Uani 1 1 d . . .
Ru3 Ru 0.07134(8) 0.32778(4) 0.43094(4) 0.01039(17) Uani 1 1 d . . .
Ru4 Ru -0.10697(9) 0.42049(4) 0.42843(4) 0.01073(17) Uani 1 1 d . . .
K1 K -0.0019(3) 0.62506(13) 0.44661(14) 0.0291(6) Uani 1 1 d . . .
K2 K 0.4772(3) 0.36987(13) 0.43953(14) 0.0280(6) Uani 1 1 d . . .
C1 C 0.3857(12) 0.6789(5) 0.6674(5) 0.0146(12) Uani 1 1 d . . .
C2 C 0.6748(11) 0.5287(6) 0.6381(5) 0.019(2) Uani 1 1 d . . .
C3 C 0.6394(12) 0.5472(5) 0.4617(5) 0.0146(12) Uani 1 1 d . . .
C4 C 0.3345(12) 0.7010(5) 0.4796(5) 0.0146(12) Uani 1 1 d . . .
C5 C 0.1338(12) 0.4440(6) 0.3334(5) 0.018(2) Uani 1 1 d . . .
C6 C 0.1347(13) 0.4521(6) 0.5209(5) 0.018(2) Uani 1 1 d . . .
C7 C -0.1787(12) 0.2997(6) 0.5212(5) 0.016(2) Uani 1 1 d . . .
C8 C -0.1504(11) 0.3046(6) 0.3288(5) 0.016(2) Uani 1 1 d . . .
O1 O 0.4987(8) 0.7124(4) 0.6396(3) 0.0181(11) Uani 1 1 d . . .
O2 O 0.3160(8) 0.6211(4) 0.6400(4) 0.0189(17) Uani 1 1 d . . .
O3 O 0.3373(8) 0.7032(4) 0.7219(3) 0.0227(17) Uani 1 1 d . . .
O4 O 0.7229(7) 0.5968(4) 0.6184(3) 0.0169(16) Uani 1 1 d . . .
O5 O 0.5405(8) 0.5058(4) 0.6190(4) 0.0216(17) Uani 1 1 d . . .
O6 O 0.7564(9) 0.4881(4) 0.6727(4) 0.0262(19) Uani 1 1 d . . .
O7 O 0.6935(8) 0.6120(4) 0.4828(4) 0.0171(16) Uani 1 1 d . . .
O8 O 0.5126(8) 0.5207(4) 0.4830(3) 0.0178(16) Uani 1 1 d . . .
O9 O 0.7147(7) 0.5122(4) 0.4179(3) 0.0181(11) Uani 1 1 d . . .
O10 O 0.4642(8) 0.7290(4) 0.5007(3) 0.0161(16) Uani 1 1 d . . .
O11 O 0.2821(8) 0.6384(4) 0.4995(3) 0.0165(17) Uani 1 1 d . . .
O12 O 0.2620(8) 0.7389(4) 0.4371(3) 0.0198(16) Uani 1 1 d . . .
O13 O 0.0131(8) 0.4771(4) 0.3587(3) 0.0179(16) Uani 1 1 d . . .
O14 O 0.1919(8) 0.3840(4) 0.3613(3) 0.0170(17) Uani 1 1 d . . .
O15 O 0.1924(8) 0.4695(4) 0.2824(4) 0.0235(18) Uani 1 1 d . . .
O16 O 0.0077(8) 0.4788(4) 0.4979(3) 0.0180(17) Uani 1 1 d . . .
O17 O 0.1879(8) 0.3850(4) 0.4999(3) 0.0161(17) Uani 1 1 d . . .
O18 O 0.2096(7) 0.4892(4) 0.5626(3) 0.0188(16) Uani 1 1 d . . .
O19 O -0.2303(8) 0.3639(4) 0.4959(3) 0.0168(17) Uani 1 1 d . . .
O20 O -0.0484(8) 0.2721(4) 0.4993(3) 0.0181(17) Uani 1 1 d . . .
O21 O -0.2494(8) 0.2659(4) 0.5650(3) 0.0209(16) Uani 1 1 d . . .
O22 O -0.2192(8) 0.3638(4) 0.3560(4) 0.0190(17) Uani 1 1 d . . .
O23 O -0.0373(8) 0.2735(4) 0.3582(3) 0.0182(16) Uani 1 1 d . . .
O24 O -0.1964(8) 0.2783(4) 0.2752(3) 0.0271(19) Uani 1 1 d . . .
O25 O 0.4338(10) 0.2739(5) 0.3105(5) 0.048(3) Uani 1 1 d . . .
H25A H 0.5154 0.2525 0.2979 0.058 Uiso 1 1 d R . .
H25B H 0.3626 0.2413 0.3134 0.058 Uiso 1 1 d R . .
O26 O 0.5274(9) 0.4402(5) 0.3163(4) 0.034(2) Uani 1 1 d . . .
H26A H 0.5078 0.4877 0.3181 0.041 Uiso 1 1 d R . .
H26B H 0.6193 0.4345 0.3045 0.041 Uiso 1 1 d R . .
O27 O 0.4418(8) 0.4831(4) 0.1787(4) 0.0283(19) Uani 1 1 d . . .
H27A H 0.4090 0.4759 0.1405 0.042 Uiso 1 1 d R . .
H27B H 0.5383 0.4856 0.1782 0.042 Uiso 1 1 d R . .
O28 O 0.5741(8) 0.3221(4) 0.1930(4) 0.0294(19) Uani 1 1 d . . .
H28A H 0.5593 0.3221 0.1523 0.044 Uiso 1 1 d R . .
H28B H 0.6542 0.3472 0.2016 0.044 Uiso 1 1 d R . .
O29 O -0.1921(9) 0.6608(4) 0.1812(4) 0.0278(19) Uani 1 1 d . . .
H29A H -0.1732 0.6792 0.1439 0.042 Uiso 1 1 d R . .
H29B H -0.1984 0.6125 0.1786 0.042 Uiso 1 1 d R . .
O30 O 0.1163(9) 0.5877(4) 0.2035(4) 0.0298(19) Uani 1 1 d . . .
H30A H 0.1235 0.5954 0.1629 0.045 Uiso 1 1 d R . .
H30B H 0.2044 0.5810 0.2194 0.045 Uiso 1 1 d R . .
O31 O -0.1457(12) 0.6228(5) 0.3240(4) 0.048(3) Uani 1 1 d . . .
H31A H -0.1541 0.5771 0.3106 0.058 Uiso 1 1 d R . .
H31B H -0.2341 0.6422 0.3267 0.058 Uiso 1 1 d R . .
O32 O 0.1874(9) 0.6523(4) 0.3297(4) 0.030(2) Uani 1 1 d . . .
H32A H 0.2540 0.6865 0.3366 0.036 Uiso 1 1 d R . .
H32B H 0.2312 0.6115 0.3174 0.036 Uiso 1 1 d R . .
O33 O 0.6040(12) 0.7108(6) 0.3686(4) 0.056(3) Uani 1 1 d . . .
O34 O 0.8638(13) 0.8253(6) 0.8677(5) 0.077(4) Uani 1 1 d . . .
O35 O 0.0289(13) 0.4036(6) 0.7831(6) 0.076(4) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Cd1 0.0201(4) 0.0270(4) 0.0272(5) -0.0015(4) -0.0005(4) 0.0003(3)
Cd2 0.0270(4) 0.0216(4) 0.0279(4) 0.0003(4) 0.0005(4) -0.0015(3)
Ru1 0.0100(4) 0.0097(3) 0.0121(4) 0.0004(3) -0.0005(3) -0.0017(3)
Ru2 0.0100(4) 0.0101(3) 0.0118(4) -0.0002(3) -0.0010(3) -0.0016(3)
Ru3 0.0097(4) 0.0099(4) 0.0115(4) 0.0009(3) -0.0002(3) 0.0014(3)
Ru4 0.0097(4) 0.0105(4) 0.0119(4) -0.0004(3) 0.0008(3) 0.0013(3)
K1 0.0264(14) 0.0212(13) 0.0398(16) 0.0015(11) -0.0011(12) -0.0021(11)
K2 0.0200(13) 0.0256(13) 0.0385(16) 0.0053(12) -0.0005(12) -0.0023(10)
C1 0.018(3) 0.010(3) 0.015(3) 0.002(2) -0.005(2) 0.004(3)
C2 0.007(5) 0.026(6) 0.026(6) 0.005(5) -0.004(4) 0.000(5)
C3 0.018(3) 0.010(3) 0.015(3) 0.002(2) -0.005(2) 0.004(3)
C4 0.018(3) 0.010(3) 0.015(3) 0.002(2) -0.005(2) 0.004(3)
C5 0.020(6) 0.016(5) 0.017(5) -0.001(4) 0.002(5) -0.003(5)
C6 0.022(6) 0.020(6) 0.013(5) -0.001(4) 0.007(4) -0.005(5)
C7 0.014(5) 0.019(5) 0.015(5) 0.005(5) -0.008(4) -0.005(5)
C8 0.010(5) 0.019(5) 0.020(6) -0.012(5) -0.007(4) 0.001(4)
O1 0.016(3) 0.019(3) 0.020(3) -0.007(2) 0.004(2) 0.007(2)
O2 0.010(4) 0.025(4) 0.022(4) -0.005(3) 0.011(3) -0.007(3)
O3 0.024(4) 0.021(4) 0.023(4) -0.005(3) 0.007(3) -0.002(3)
O4 0.008(4) 0.017(4) 0.026(4) 0.008(3) 0.002(3) 0.003(3)
O5 0.020(4) 0.017(4) 0.028(4) 0.004(3) -0.011(3) -0.001(3)
O6 0.020(4) 0.015(4) 0.043(5) 0.013(4) -0.016(4) -0.001(3)
O7 0.016(4) 0.017(4) 0.019(4) -0.002(3) 0.001(3) 0.001(3)
O8 0.013(4) 0.020(4) 0.020(4) -0.006(3) 0.005(3) -0.003(3)
O9 0.016(3) 0.019(3) 0.020(3) -0.007(2) 0.004(2) 0.007(2)
O10 0.015(4) 0.010(4) 0.024(4) 0.007(3) -0.006(3) -0.001(3)
O11 0.015(4) 0.012(4) 0.023(4) 0.001(3) -0.008(3) 0.000(3)
O12 0.017(4) 0.021(4) 0.022(4) -0.004(3) -0.008(3) 0.013(3)
O13 0.015(4) 0.014(4) 0.025(4) 0.005(3) 0.007(3) 0.008(3)
O14 0.021(4) 0.011(4) 0.019(4) 0.004(3) 0.007(3) -0.003(3)
O15 0.032(5) 0.019(4) 0.019(4) 0.003(3) 0.016(3) 0.006(4)
O16 0.021(4) 0.014(4) 0.018(4) -0.005(3) -0.003(3) -0.001(3)
O17 0.016(4) 0.012(4) 0.020(4) 0.000(3) -0.001(3) 0.003(3)
O18 0.017(4) 0.019(4) 0.020(4) -0.005(3) 0.000(3) -0.006(3)
O19 0.012(4) 0.016(4) 0.023(4) 0.006(3) 0.010(3) 0.002(3)
O20 0.020(4) 0.011(4) 0.023(4) 0.012(3) -0.003(3) 0.004(3)
O21 0.024(4) 0.023(4) 0.016(4) -0.003(3) 0.006(3) -0.011(3)
O22 0.012(4) 0.021(4) 0.023(4) -0.006(3) -0.006(3) 0.005(3)
O23 0.016(4) 0.016(4) 0.023(4) -0.004(3) -0.009(3) -0.001(3)
O24 0.027(5) 0.031(4) 0.023(4) -0.007(4) -0.006(3) 0.006(4)
O25 0.020(5) 0.050(6) 0.074(7) 0.031(5) 0.016(5) 0.002(4)
O26 0.027(5) 0.038(5) 0.039(5) -0.006(4) -0.005(4) -0.003(4)
O27 0.020(4) 0.043(5) 0.023(4) 0.012(4) 0.002(3) -0.003(4)
O28 0.021(4) 0.038(5) 0.029(4) -0.003(4) 0.005(3) 0.005(4)
O29 0.037(5) 0.021(4) 0.026(4) 0.004(4) 0.002(4) -0.012(4)
O30 0.025(4) 0.025(4) 0.039(5) -0.003(4) -0.016(4) 0.009(4)
O31 0.048(6) 0.055(6) 0.042(6) 0.027(5) 0.003(5) -0.012(5)
O32 0.029(5) 0.020(4) 0.042(5) -0.005(4) -0.014(4) 0.004(4)
O33 0.061(7) 0.058(6) 0.049(6) 0.021(5) 0.019(5) 0.013(6)
O34 0.063(7) 0.089(9) 0.078(8) -0.049(7) -0.019(7) 0.024(7)
O35 0.079(9) 0.055(7) 0.093(9) 0.010(7) -0.019(7) 0.004(6)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O26 2.299(8) . ?
Cd1 O15 2.314(7) . ?
Cd1 O3 2.356(7) 2_564 ?
Cd1 O28 2.357(7) . ?
Cd1 O27 2.360(7) . ?
Cd1 O25 2.377(8) . ?
Cd1 K2 4.134(3) . ?
Cd2 O24 2.320(7) 3 ?
Cd2 O30 2.332(7) . ?
Cd2 O29 2.333(8) . ?
Cd2 O31 2.341(9) . ?
Cd2 O3 2.384(7) 4_466 ?
Cd2 O32 2.389(8) . ?
Cd2 K1 4.191(3) . ?
Ru1 O4 2.011(7) . ?
Ru1 O7 2.027(7) . ?
Ru1 O1 2.036(7) . ?
Ru1 O10 2.042(7) . ?
Ru1 Ru2 2.2607(11) . ?
Ru1 O12 2.275(7) 4_566 ?
Ru1 K1 3.819(2) 4_566 ?
Ru2 O8 2.030(7) . ?
Ru2 O5 2.027(7) . ?
Ru2 O2 2.043(7) . ?
Ru2 O11 2.052(7) . ?
Ru2 O18 2.286(6) . ?
Ru3 O20 2.013(7) . ?
Ru3 O23 2.018(7) . ?
Ru3 O17 2.020(7) . ?
Ru3 O14 2.039(7) . ?
Ru3 Ru4 2.2580(11) . ?
Ru3 O21 2.277(7) 4_556 ?
Ru3 K2 3.649(3) . ?
Ru4 O19 2.024(7) . ?
Ru4 O16 2.030(7) . ?
Ru4 O13 2.042(7) . ?
Ru4 O22 2.048(7) . ?
Ru4 O9 2.255(6) 1_455 ?
Ru4 K1 3.719(3) . ?
Ru4 K2 3.770(3) 1_455 ?
K1 O11 2.737(8) . ?
K1 O16 2.773(8) . ?
K1 O10 2.793(7) 4_466 ?
K1 O7 2.790(8) 1_455 ?
K1 O31 2.828(10) . ?
K1 O32 2.970(9) . ?
K1 O12 3.067(8) . ?
K1 O13 3.166(8) . ?
K1 O9 3.235(7) 1_455 ?
K1 O1 3.358(8) 4_466 ?
K1 C3 3.451(11) 1_455 ?
K2 O20 2.797(7) 4_556 ?
K2 O8 2.807(7) . ?
K2 O19 2.826(8) 1_655 ?
K2 O17 2.845(8) . ?
K2 O26 2.860(9) . ?
K2 O14 2.993(8) . ?
K2 O21 3.104(8) 4_556 ?
K2 O22 3.180(8) 1_655 ?
K2 O25 3.172(11) . ?
K2 O9 3.283(7) . ?
K2 C7 3.371(11) 4_556 ?
C1 O3 1.274(11) . ?
C1 O1 1.288(12) . ?
C1 O2 1.312(11) . ?
C2 O6 1.237(12) . ?
C2 O5 1.309(11) . ?
C2 O4 1.329(12) . ?
C3 O9 1.277(11) . ?
C3 O8 1.285(12) . ?
C3 O7 1.305(11) . ?
C3 K1 3.451(11) 1_655 ?
C4 O11 1.258(12) . ?
C4 O12 1.272(11) . ?
C4 O10 1.316(12) . ?
C5 O15 1.254(12) . ?
C5 O14 1.302(12) . ?
C5 O13 1.318(12) . ?
C6 O18 1.263(12) . ?
C6 O16 1.301(13) . ?
C6 O17 1.337(12) . ?
C7 O21 1.247(12) . ?
C7 O20 1.324(12) . ?
C7 O19 1.320(12) . ?
C7 K2 3.371(11) 4_456 ?
C8 O24 1.264(12) . ?
C8 O23 1.286(11) . ?
C8 O22 1.326(11) . ?
O1 K1 3.358(8) 4_566 ?
O3 Cd1 2.356(7) 2_565 ?
O3 Cd2 2.384(7) 4_566 ?
O7 K1 2.790(8) 1_655 ?
O9 Ru4 2.255(6) 1_655 ?
O9 K1 3.235(7) 1_655 ?
O10 K1 2.793(7) 4_566 ?
O12 Ru1 2.275(6) 4_466 ?
O19 K2 2.826(8) 1_455 ?
O20 K2 2.797(7) 4_456 ?
O21 Ru3 2.277(7) 4_456 ?
O21 K2 3.104(8) 4_456 ?
O22 K2 3.180(8) 1_455 ?
O24 Cd2 2.320(7) 3_545 ?
O25 H25A 0.8500 . ?
O25 H25B 0.8500 . ?
O26 H26A 0.8500 . ?
O26 H26B 0.8500 . ?
O27 H27A 0.8499 . ?
O27 H27B 0.8500 . ?
O28 H28A 0.8500 . ?
O28 H28B 0.8500 . ?
O29 H29A 0.8500 . ?
O29 H29B 0.8500 . ?
O30 H30A 0.8501 . ?
O30 H30B 0.8500 . ?
O31 H31A 0.8500 . ?
O31 H31B 0.8499 . ?
O32 H32A 0.8499 . ?
O32 H32B 0.8501 . ?

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
O26 Cd1 O15 83.5(3) . . ?
O26 Cd1 O3 151.9(3) . 2_564 ?
O15 Cd1 O3 89.3(3) . 2_564 ?
O26 Cd1 O28 90.4(3) . . ?
O15 Cd1 O28 162.9(3) . . ?
O3 Cd1 O28 103.2(3) 2_564 . ?
O26 Cd1 O27 81.2(3) . . ?
O15 Cd1 O27 82.2(3) . . ?
O3 Cd1 O27 124.8(3) 2_564 . ?
O28 Cd1 O27 81.1(3) . . ?
O26 Cd1 O25 80.8(3) . . ?
O15 Cd1 O25 120.4(3) . . ?
O3 Cd1 O25 79.6(3) 2_564 . ?
O28 Cd1 O25 74.0(3) . . ?
O27 Cd1 O25 148.9(3) . . ?
O26 Cd1 K2 41.7(2) . . ?
O15 Cd1 K2 82.12(19) . . ?
O3 Cd1 K2 110.48(17) 2_564 . ?
O28 Cd1 K2 103.8(2) . . ?
O27 Cd1 K2 121.97(19) . . ?
O25 Cd1 K2 49.8(3) . . ?
O24 Cd2 O30 95.3(3) 3 . ?
O24 Cd2 O29 123.0(3) 3 . ?
O30 Cd2 O29 81.2(3) . . ?
O24 Cd2 O31 154.6(3) 3 . ?
O30 Cd2 O31 95.1(3) . . ?
O29 Cd2 O31 81.5(3) . . ?
O24 Cd2 O3 91.2(3) 3 4_466 ?
O30 Cd2 O3 163.8(3) . 4_466 ?
O29 Cd2 O3 82.9(3) . 4_466 ?
O31 Cd2 O3 85.1(3) . 4_466 ?
O24 Cd2 O32 82.1(3) 3 . ?
O30 Cd2 O32 76.1(3) . . ?
O29 Cd2 O32 147.7(3) . . ?
O31 Cd2 O32 78.0(3) . . ?
O3 Cd2 O32 119.6(3) 4_466 . ?
O24 Cd2 K1 115.12(18) 3 . ?
O30 Cd2 K1 100.9(2) . . ?
O29 Cd2 K1 121.41(19) . . ?
O31 Cd2 K1 39.9(2) . . ?
O3 Cd2 K1 89.67(17) 4_466 . ?
O32 Cd2 K1 43.8(2) . . ?
O4 Ru1 O7 88.7(3) . . ?
O4 Ru1 O1 89.9(3) . . ?
O7 Ru1 O1 178.5(3) . . ?
O4 Ru1 O10 179.5(3) . . ?
O7 Ru1 O10 90.9(3) . . ?
O1 Ru1 O10 90.5(3) . . ?
O4 Ru1 Ru2 90.1(2) . . ?
O7 Ru1 Ru2 89.9(2) . . ?
O1 Ru1 Ru2 90.7(2) . . ?
O10 Ru1 Ru2 90.17(19) . . ?
O4 Ru1 O12 93.0(3) . 4_566 ?
O7 Ru1 O12 93.9(3) . 4_566 ?
O1 Ru1 O12 85.5(3) . 4_566 ?
O10 Ru1 O12 86.7(3) . 4_566 ?
Ru2 Ru1 O12 175.09(18) . 4_566 ?
O4 Ru1 K1 134.7(2) . 4_566 ?
O7 Ru1 K1 119.4(2) . 4_566 ?
O1 Ru1 K1 61.3(2) . 4_566 ?
O10 Ru1 K1 45.4(2) . 4_566 ?
Ru2 Ru1 K1 121.89(5) . 4_566 ?
O12 Ru1 K1 53.43(19) 4_566 4_566 ?
O8 Ru2 O5 88.4(3) . . ?
O8 Ru2 O2 177.5(3) . . ?
O5 Ru2 O2 89.2(3) . . ?
O8 Ru2 O11 91.0(3) . . ?
O5 Ru2 O11 179.3(3) . . ?
O2 Ru2 O11 91.4(3) . . ?
O8 Ru2 Ru1 89.9(2) . . ?
O5 Ru2 Ru1 89.9(2) . . ?
O2 Ru2 Ru1 89.5(2) . . ?
O11 Ru2 Ru1 89.7(2) . . ?
O8 Ru2 O18 94.6(3) . . ?
O5 Ru2 O18 93.5(3) . . ?
O2 Ru2 O18 86.1(3) . . ?
O11 Ru2 O18 86.9(3) . . ?
Ru1 Ru2 O18 174.35(17) . . ?
O20 Ru3 O23 92.6(3) . . ?
O20 Ru3 O17 90.7(3) . . ?
O23 Ru3 O17 176.7(3) . . ?
O20 Ru3 O14 179.7(3) . . ?
O23 Ru3 O14 87.1(3) . . ?
O17 Ru3 O14 89.6(3) . . ?
O20 Ru3 Ru4 90.1(2) . . ?
O23 Ru3 Ru4 89.6(2) . . ?
O17 Ru3 Ru4 90.7(2) . . ?
O14 Ru3 Ru4 89.9(2) . . ?
O20 Ru3 O21 89.2(3) . 4_556 ?
O23 Ru3 O21 90.9(3) . 4_556 ?
O17 Ru3 O21 88.9(3) . 4_556 ?
O14 Ru3 O21 90.8(3) . 4_556 ?
Ru4 Ru3 O21 179.18(18) . 4_556 ?
O20 Ru3 K2 125.2(2) . . ?
O23 Ru3 K2 126.5(2) . . ?
O17 Ru3 K2 50.9(2) . . ?
O14 Ru3 K2 55.1(2) . . ?
Ru4 Ru3 K2 122.36(5) . . ?
O21 Ru3 K2 57.77(19) 4_556 . ?
O19 Ru4 O16 91.5(3) . . ?
O19 Ru4 O13 178.5(3) . . ?
O16 Ru4 O13 89.8(3) . . ?
O19 Ru4 O22 90.4(3) . . ?
O16 Ru4 O22 178.1(3) . . ?
O13 Ru4 O22 88.3(3) . . ?
O19 Ru4 O9 92.4(3) . 1_455 ?
O16 Ru4 O9 93.1(3) . 1_455 ?
O13 Ru4 O9 86.9(3) . 1_455 ?
O22 Ru4 O9 86.6(3) . 1_455 ?
O19 Ru4 Ru3 90.3(2) . . ?
O16 Ru4 Ru3 90.0(2) . . ?
O13 Ru4 Ru3 90.37(19) . . ?
O22 Ru4 Ru3 90.18(19) . . ?
O9 Ru4 Ru3 175.80(18) 1_455 . ?
O19 Ru4 K1 122.3(2) . . ?
O16 Ru4 K1 47.2(2) . . ?
O13 Ru4 K1 58.3(2) . . ?
O22 Ru4 K1 131.3(2) . . ?
O9 Ru4 K1 59.74(18) 1_455 . ?
Ru3 Ru4 K1 121.20(5) . . ?
O19 Ru4 K2 47.4(2) . 1_455 ?
O16 Ru4 K2 123.9(2) . 1_455 ?
O13 Ru4 K2 131.2(2) . 1_455 ?
O22 Ru4 K2 57.5(2) . 1_455 ?
O9 Ru4 K2 59.93(18) 1_455 1_455 ?
Ru3 Ru4 K2 120.21(5) . 1_455 ?
K1 Ru4 K2 117.47(6) . 1_455 ?
O11 K1 O16 84.2(2) . . ?
O11 K1 O10 82.2(2) . 4_466 ?
O16 K1 O10 134.4(2) . 4_466 ?
O11 K1 O7 140.9(2) . 1_455 ?
O16 K1 O7 81.4(2) . 1_455 ?
O10 K1 O7 82.5(2) 4_466 1_455 ?
O11 K1 O31 140.0(3) . . ?
O16 K1 O31 110.0(2) . . ?
O10 K1 O31 108.2(2) 4_466 . ?
O7 K1 O31 79.0(3) 1_455 . ?
O11 K1 O32 78.4(2) . . ?
O16 K1 O32 116.2(2) . . ?
O10 K1 O32 103.2(2) 4_466 . ?
O7 K1 O32 140.3(2) 1_455 . ?
O31 K1 O32 61.8(3) . . ?
O11 K1 O12 43.85(19) . . ?
O16 K1 O12 127.0(2) . . ?
O10 K1 O12 60.68(19) 4_466 . ?
O7 K1 O12 142.9(2) 1_455 . ?
O31 K1 O12 106.9(2) . . ?
O32 K1 O12 54.5(2) . . ?
O11 K1 O13 105.1(2) . . ?
O16 K1 O13 57.44(19) . . ?
O10 K1 O13 167.5(2) 4_466 . ?
O7 K1 O13 97.2(2) 1_455 . ?
O31 K1 O13 59.6(2) . . ?
O32 K1 O13 69.1(2) . . ?
O12 K1 O13 117.6(2) . . ?
O11 K1 O9 145.9(2) . 1_455 ?
O16 K1 O9 61.9(2) . 1_455 ?
O10 K1 O9 123.2(2) 4_466 1_455 ?
O7 K1 O9 42.21(18) 1_455 1_455 ?
O31 K1 O9 58.9(2) . 1_455 ?
O32 K1 O9 112.4(2) . 1_455 ?
O12 K1 O9 165.6(2) . 1_455 ?
O13 K1 O9 55.06(17) . 1_455 ?
O11 K1 O1 97.9(2) . 4_466 ?
O16 K1 O1 170.3(2) . 4_466 ?
O10 K1 O1 55.28(18) 4_466 4_466 ?
O7 K1 O1 102.3(2) 1_455 4_466 ?
O31 K1 O1 62.5(2) . 4_466 ?
O32 K1 O1 55.42(19) . 4_466 ?
O12 K1 O1 54.08(17) . 4_466 ?
O13 K1 O1 113.0(2) . 4_466 ?
O9 K1 O1 114.98(19) 1_455 4_466 ?
O11 K1 C3 146.3(2) . 1_455 ?
O16 K1 C3 68.2(2) . 1_455 ?
O10 K1 C3 103.3(2) 4_466 1_455 ?
O7 K1 C3 20.9(2) 1_455 1_455 ?
O31 K1 C3 70.5(3) . 1_455 ?
O32 K1 C3 130.5(2) . 1_455 ?
O12 K1 C3 162.7(2) . 1_455 ?
O13 K1 C3 76.5(2) . 1_455 ?
O9 K1 C3 21.71(19) 1_455 1_455 ?
O1 K1 C3 112.6(2) 4_466 1_455 ?
O11 K1 Ru4 110.46(16) . . ?
O16 K1 Ru4 32.47(14) . . ?
O10 K1 Ru4 153.43(17) 4_466 . ?
O7 K1 Ru4 73.10(15) 1_455 . ?
O31 K1 Ru4 77.60(18) . . ?
O32 K1 Ru4 102.24(16) . . ?
O12 K1 Ru4 143.91(15) . . ?
O13 K1 Ru4 33.29(13) . . ?
O9 K1 Ru4 37.03(12) 1_455 . ?
O1 K1 Ru4 139.80(14) 4_466 . ?
C3 K1 Ru4 53.22(16) 1_455 . ?
O20 K2 O8 134.5(2) 4_556 . ?
O20 K2 O19 81.6(2) 4_556 1_655 ?
O8 K2 O19 78.6(2) . 1_655 ?
O20 K2 O17 79.2(2) 4_556 . ?
O8 K2 O17 82.6(2) . . ?
O19 K2 O17 129.6(2) 1_655 . ?
O20 K2 O26 142.8(2) 4_556 . ?
O8 K2 O26 82.0(2) . . ?
O19 K2 O26 104.0(2) 1_655 . ?
O17 K2 O26 119.2(2) . . ?
O20 K2 O14 104.4(2) 4_556 . ?
O8 K2 O14 100.8(2) . . ?
O19 K2 O14 171.2(2) 1_655 . ?
O17 K2 O14 58.6(2) . . ?
O26 K2 O14 67.3(2) . . ?
O20 K2 O21 44.0(2) 4_556 4_556 ?
O8 K2 O21 143.3(2) . 4_556 ?
O19 K2 O21 124.7(2) 1_655 4_556 ?
O17 K2 O21 60.67(19) . 4_556 ?
O26 K2 O21 113.8(2) . 4_556 ?
O14 K2 O21 60.60(18) . 4_556 ?
O20 K2 O22 106.4(2) 4_556 1_655 ?
O8 K2 O22 96.4(2) . 1_655 ?
O19 K2 O22 57.15(19) 1_655 1_655 ?
O17 K2 O22 172.4(2) . 1_655 ?
O26 K2 O22 53.3(2) . 1_655 ?
O14 K2 O22 114.5(2) . 1_655 ?
O21 K2 O22 119.8(2) 4_556 1_655 ?
O20 K2 O25 84.2(2) 4_556 . ?
O8 K2 O25 141.3(2) . . ?
O19 K2 O25 115.8(2) 1_655 . ?
O17 K2 O25 108.0(2) . . ?
O26 K2 O25 60.0(2) . . ?
O14 K2 O25 59.4(2) . . ?
O21 K2 O25 59.5(2) 4_556 . ?
O22 K2 O25 68.2(2) 1_655 . ?
O20 K2 O9 141.9(2) 4_556 . ?
O8 K2 O9 42.11(18) . . ?
O19 K2 O9 60.29(19) 1_655 . ?
O17 K2 O9 123.91(19) . . ?
O26 K2 O9 56.9(2) . . ?
O14 K2 O9 113.42(19) . . ?
O21 K2 O9 170.5(2) 4_556 . ?
O22 K2 O9 54.37(17) 1_655 . ?
O25 K2 O9 111.4(2) . . ?
O20 K2 C7 22.4(2) 4_556 4_556 ?
O8 K2 C7 142.9(2) . 4_556 ?
O19 K2 C7 103.8(2) 1_655 4_556 ?
O17 K2 C7 67.2(2) . 4_556 ?
O26 K2 C7 131.0(3) . 4_556 ?
O14 K2 C7 82.0(2) . 4_556 ?
O21 K2 C7 21.7(2) 4_556 4_556 ?
O22 K2 C7 116.3(2) 1_655 4_556 ?
O25 K2 C7 71.7(2) . 4_556 ?
O9 K2 C7 163.9(2) . 4_556 ?
O20 K2 Ru3 76.33(16) 4_556 . ?
O8 K2 Ru3 108.31(16) . . ?
O19 K2 Ru3 154.58(16) 1_655 . ?
O17 K2 Ru3 33.42(14) . . ?
O26 K2 Ru3 101.25(17) . . ?
O14 K2 Ru3 33.97(13) . . ?
O21 K2 Ru3 38.35(13) 4_556 . ?
O22 K2 Ru3 142.03(16) 1_655 . ?
O25 K2 Ru3 74.60(16) . . ?
O9 K2 Ru3 140.29(14) . . ?
C7 K2 Ru3 55.65(18) 4_556 . ?
O3 C1 O1 119.9(9) . . ?
O3 C1 O2 118.8(9) . . ?
O1 C1 O2 121.3(9) . . ?
O6 C2 O5 121.4(10) . . ?
O6 C2 O4 120.6(9) . . ?
O5 C2 O4 118.0(9) . . ?
O9 C3 O8 121.3(9) . . ?
O9 C3 O7 117.6(9) . . ?
O8 C3 O7 121.1(9) . . ?
O9 C3 K1 69.6(5) . 1_655 ?
O8 C3 K1 165.2(7) . 1_655 ?
O7 C3 K1 49.7(5) . 1_655 ?
O11 C4 O12 119.8(9) . . ?
O11 C4 O10 122.3(9) . . ?
O12 C4 O10 117.9(9) . . ?
O15 C5 O14 119.8(9) . . ?
O15 C5 O13 120.4(9) . . ?
O14 C5 O13 119.8(9) . . ?
O18 C6 O16 120.7(9) . . ?
O18 C6 O17 119.4(10) . . ?
O16 C6 O17 119.9(9) . . ?
O21 C7 O20 120.4(9) . . ?
O21 C7 O19 121.3(10) . . ?
O20 C7 O19 118.3(9) . . ?
O21 C7 K2 67.0(6) . 4_456 ?
O20 C7 K2 53.7(5) . 4_456 ?
O19 C7 K2 170.3(7) . 4_456 ?
O24 C8 O23 120.3(9) . . ?
O24 C8 O22 120.6(9) . . ?
O23 C8 O22 119.0(9) . . ?
C1 O1 Ru1 118.6(6) . . ?
C1 O1 K1 128.3(6) . 4_566 ?
Ru1 O1 K1 86.5(2) . 4_566 ?
C1 O2 Ru2 119.0(6) . . ?
C1 O3 Cd1 103.0(6) . 2_565 ?
C1 O3 Cd2 104.2(6) . 4_566 ?
Cd1 O3 Cd2 152.7(3) 2_565 4_566 ?
C2 O4 Ru1 121.1(6) . . ?
C2 O5 Ru2 120.9(7) . . ?
C3 O7 Ru1 119.0(7) . . ?
C3 O7 K1 109.4(6) . 1_655 ?
Ru1 O7 K1 126.2(3) . 1_655 ?
C3 O8 Ru2 119.4(6) . . ?
C3 O8 K2 109.1(6) . . ?
Ru2 O8 K2 128.0(3) . . ?
C3 O9 Ru4 129.4(6) . 1_655 ?
C3 O9 K1 88.7(6) . 1_655 ?
Ru4 O9 K1 83.2(2) 1_655 1_655 ?
C3 O9 K2 86.4(6) . . ?
Ru4 O9 K2 83.6(2) 1_655 . ?
K1 O9 K2 158.3(3) 1_655 . ?
C4 O10 Ru1 118.1(6) . . ?
C4 O10 K1 124.2(6) . 4_566 ?
Ru1 O10 K1 103.2(3) . 4_566 ?
C4 O11 Ru2 119.5(7) . . ?
C4 O11 K1 106.2(6) . . ?
Ru2 O11 K1 134.3(3) . . ?
C4 O12 Ru1 134.9(7) . 4_466 ?
C4 O12 K1 89.7(6) . . ?
Ru1 O12 K1 90.0(2) 4_466 . ?
C5 O13 Ru4 118.8(6) . . ?
C5 O13 K1 128.4(6) . . ?
Ru4 O13 K1 88.4(2) . . ?
C5 O14 Ru3 119.8(6) . . ?
C5 O14 K2 129.4(6) . . ?
Ru3 O14 K2 90.9(3) . . ?
C5 O15 Cd1 108.0(6) . . ?
C6 O16 Ru4 120.2(6) . . ?
C6 O16 K1 119.9(6) . . ?
Ru4 O16 K1 100.4(3) . . ?
C6 O17 Ru3 119.1(7) . . ?
C6 O17 K2 122.4(6) . . ?
Ru3 O17 K2 95.7(3) . . ?
C6 O18 Ru2 135.5(7) . . ?
C7 O19 Ru4 120.3(6) . . ?
C7 O19 K2 120.4(6) . 1_455 ?
Ru4 O19 K2 100.7(3) . 1_455 ?
C7 O20 Ru3 121.0(6) . . ?
C7 O20 K2 103.9(6) . 4_456 ?
Ru3 O20 K2 134.9(3) . 4_456 ?
C7 O21 Ru3 135.6(7) . 4_456 ?
C7 O21 K2 91.3(6) . 4_456 ?
Ru3 O21 K2 83.9(2) 4_456 4_456 ?
C8 O22 Ru4 117.9(6) . . ?
C8 O22 K2 129.7(6) . 1_455 ?
Ru4 O22 K2 89.6(2) . 1_455 ?
C8 O23 Ru3 121.2(6) . . ?
C8 O24 Cd2 102.2(6) . 3_545 ?
Cd1 O25 K2 95.2(3) . . ?
Cd1 O25 H25A 112.7 . . ?
K2 O25 H25A 112.8 . . ?
Cd1 O25 H25B 112.4 . . ?
K2 O25 H25B 112.7 . . ?
H25A O25 H25B 110.3 . . ?
Cd1 O26 K2 106.0(3) . . ?
Cd1 O26 H26A 110.4 . . ?
K2 O26 H26A 110.6 . . ?
Cd1 O26 H26B 110.5 . . ?
K2 O26 H26B 110.6 . . ?
H26A O26 H26B 108.8 . . ?
Cd1 O27 H27A 109.3 . . ?
Cd1 O27 H27B 109.2 . . ?
H27A O27 H27B 109.5 . . ?
Cd1 O28 H28A 109.4 . . ?
Cd1 O28 H28B 109.0 . . ?
H28A O28 H28B 109.5 . . ?
Cd2 O29 H29A 109.2 . . ?
Cd2 O29 H29B 109.5 . . ?
H29A O29 H29B 109.5 . . ?
Cd2 O30 H30A 109.3 . . ?
Cd2 O30 H30B 109.4 . . ?
H30A O30 H30B 109.5 . . ?
Cd2 O31 K1 108.0(4) . . ?
Cd2 O31 H31A 109.9 . . ?
K1 O31 H31A 110.1 . . ?
Cd2 O31 H31B 110.0 . . ?
K1 O31 H31B 110.2 . . ?
H31A O31 H31B 108.6 . . ?
Cd2 O32 K1 102.4(3) . . ?
Cd2 O32 H32A 111.3 . . ?
K1 O32 H32A 111.3 . . ?
Cd2 O32 H32B 111.2 . . ?
K1 O32 H32B 111.2 . . ?
H32A O32 H32B 109.3 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.702
_refine_diff_density_min         -1.130
_refine_diff_density_rms         0.229
_database_code_depnum_ccdc_archive 'CCDC 914046'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_global

# Attachment 'web_deposit_cif_file_1_BinLiu_1354688896.trans-CdRuCO3.cif'


data_cdruco3
#TrackingRef 'web_deposit_cif_file_1_BinLiu_1354688896.trans-CdRuCO3.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C4 H8 Cd K O16 Ru2, 2(O)'
_chemical_formula_sum            'C4 H8 Cd K O18 Ru2'
_chemical_formula_weight         697.74

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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.3611(19)
_cell_length_b                   9.921(2)
_cell_length_c                   10.015(2)
_cell_angle_alpha                85.03(3)
_cell_angle_beta                 85.81(3)
_cell_angle_gamma                65.09(3)
_cell_volume                     839.7(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       plate
_exptl_crystal_colour            red-brown
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.760
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             662
_exptl_absorpt_coefficient_mu    3.369
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4863
_exptl_absorpt_correction_T_max  0.5522
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'APEX II CCD'
_diffrn_measurement_method       '\w-\p scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8827
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_av_sigmaI/netI    0.0478
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.09
_diffrn_reflns_theta_max         27.48
_reflns_number_total             3827
_reflns_number_gt                3194
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0256P)^2^+1.9206P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3827
_refine_ls_number_parameters     238
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0372
_refine_ls_wR_factor_ref         0.0728
_refine_ls_wR_factor_gt          0.0686
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
O6 O -0.1312(4) 0.3286(4) 0.2541(3) 0.0208(8) Uani 1 1 d . . .
O3 O -0.5443(5) 0.1338(4) 0.6238(4) 0.0246(9) Uani 1 1 d . . .
Cd1 Cd 0.56027(5) 0.03946(4) 0.82362(4) 0.02164(11) Uani 1 1 d . . .
Ru1 Ru -0.41975(5) 0.48262(4) 0.58452(4) 0.01308(10) Uani 1 1 d . . .
Ru2 Ru -0.05276(4) 0.45534(4) 1.08826(4) 0.01071(10) Uani 1 1 d . . .
O1 O -0.4256(4) 0.2833(4) 0.6345(3) 0.0190(8) Uani 1 1 d . . .
O2 O -0.5855(4) 0.3170(4) 0.4656(3) 0.0193(8) Uani 1 1 d . . .
O4 O -0.2319(4) 0.3938(4) 0.4580(3) 0.0209(8) Uani 1 1 d . . .
O5 O -0.3907(4) 0.4242(4) 0.2887(3) 0.0201(8) Uani 1 1 d . . .
O7 O -0.2565(5) 0.4106(4) 0.7589(4) 0.0272(9) Uani 1 1 d . . .
O10 O 0.1234(4) 0.2518(4) 1.0633(3) 0.0178(8) Uani 1 1 d . . .
O12 O 0.2296(4) 0.3404(4) 0.8882(3) 0.0195(8) Uani 1 1 d . . .
O8 O -0.1847(4) 0.4151(4) 0.9612(3) 0.0177(8) Uani 1 1 d . . .
O9 O -0.0792(4) 0.5015(4) 0.7827(3) 0.0185(8) Uani 1 1 d . . .
O11 O 0.3475(4) 0.1041(4) 0.9688(3) 0.0192(8) Uani 1 1 d . . .
O13 O 0.6464(5) 0.1954(5) 0.9125(4) 0.0354(10) Uani 1 1 d . . .
H13A H 0.6106 0.2791 0.8682 0.053 Uiso 1 1 d R . .
H13B H 0.6133 0.2072 0.9938 0.053 Uiso 1 1 d R . .
O14 O 0.5179(5) -0.1704(5) 0.7834(4) 0.0353(10) Uani 1 1 d . . .
H14A H 0.4283 -0.1603 0.8172 0.053 Uiso 1 1 d R . .
H14B H 0.5203 -0.1780 0.6993 0.053 Uiso 1 1 d R . .
O15 O 0.8006(5) -0.0667(5) 0.7103(4) 0.0340(10) Uani 1 1 d . . .
H15A H 0.8471 -0.0092 0.7096 0.051 Uiso 1 1 d R . .
H15B H 0.8564 -0.1501 0.7497 0.051 Uiso 1 1 d R . .
C1 C -0.5183(6) 0.2444(6) 0.5753(5) 0.0186(11) Uani 1 1 d . . .
C2 C -0.2500(6) 0.3817(6) 0.3333(5) 0.0176(11) Uani 1 1 d . . .
C3 C 0.2355(5) 0.2326(5) 0.9723(5) 0.0137(10) Uani 1 1 d . . .
C4 C -0.1735(6) 0.4436(5) 0.8337(5) 0.0165(10) Uani 1 1 d . . .
O16 O -0.1701(5) 0.8175(6) 0.4739(5) 0.0489(13) Uani 1 1 d . . .
H16A H -0.1057 0.8568 0.4539 0.073 Uiso 1 1 d R . .
H16B H -0.2355 0.8407 0.4121 0.073 Uiso 1 1 d R . .
O17 O 0.1965(6) 0.8884(5) 0.8567(5) 0.0478(12) Uani 1 1 d . . .
O18 O -0.0364(5) 0.1130(5) 0.6982(5) 0.0496(13) Uani 1 1 d . . .
K1 K 0.0000 0.5000 0.5000 0.0377(5) Uani 1 2 d S . .
K2 K -0.5000 0.5000 0.0000 0.0556(6) Uani 1 2 d S . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
O6 0.0197(19) 0.0213(19) 0.0170(19) 0.0018(15) 0.0091(15) -0.0063(16)
O3 0.034(2) 0.023(2) 0.023(2) 0.0086(16) -0.0118(17) -0.0185(18)
Cd1 0.0244(2) 0.0258(2) 0.0158(2) -0.00142(16) 0.00051(16) -0.01170(18)
Ru1 0.0134(2) 0.0183(2) 0.00953(19) 0.00008(15) -0.00270(15) -0.00839(16)
Ru2 0.00984(19) 0.01234(19) 0.00945(19) -0.00033(14) -0.00041(14) -0.00421(15)
O1 0.025(2) 0.0168(18) 0.0192(19) 0.0024(14) -0.0087(15) -0.0119(16)
O2 0.028(2) 0.0207(19) 0.0154(18) 0.0031(15) -0.0070(15) -0.0157(17)
O4 0.0139(19) 0.035(2) 0.0136(18) -0.0038(16) -0.0003(14) -0.0098(16)
O5 0.020(2) 0.027(2) 0.0140(18) -0.0022(15) 0.0002(15) -0.0103(16)
O7 0.032(2) 0.031(2) 0.024(2) 0.0024(17) -0.0155(18) -0.0181(19)
O10 0.0185(19) 0.0125(17) 0.0185(19) 0.0008(14) 0.0036(15) -0.0035(15)
O12 0.0180(19) 0.0140(18) 0.0189(19) 0.0008(14) 0.0053(15) -0.0007(15)
O8 0.0193(19) 0.026(2) 0.0130(18) 0.0038(15) -0.0031(14) -0.0155(16)
O9 0.022(2) 0.026(2) 0.0117(17) -0.0004(15) -0.0034(14) -0.0139(16)
O11 0.0144(18) 0.0156(18) 0.0193(19) -0.0011(14) 0.0033(15) 0.0012(14)
O13 0.059(3) 0.038(3) 0.021(2) 0.0019(18) -0.004(2) -0.031(2)
O14 0.047(3) 0.038(3) 0.030(2) -0.0127(19) 0.006(2) -0.025(2)
O15 0.023(2) 0.030(2) 0.039(3) 0.0130(19) -0.0050(19) -0.0039(18)
C1 0.020(3) 0.018(3) 0.017(3) -0.003(2) 0.002(2) -0.006(2)
C2 0.019(3) 0.018(3) 0.018(3) 0.000(2) 0.001(2) -0.010(2)
C3 0.011(2) 0.018(3) 0.011(2) -0.0026(19) -0.0016(19) -0.004(2)
C4 0.012(2) 0.016(3) 0.021(3) 0.002(2) -0.007(2) -0.005(2)
O16 0.036(3) 0.068(4) 0.052(3) 0.000(3) -0.006(2) -0.031(3)
O17 0.056(3) 0.045(3) 0.050(3) -0.003(2) -0.017(3) -0.026(3)
O18 0.037(3) 0.041(3) 0.068(4) 0.001(2) 0.007(2) -0.016(2)
K1 0.0463(12) 0.0524(13) 0.0270(10) -0.0010(9) -0.0023(9) -0.0331(11)
K2 0.0215(11) 0.0747(17) 0.0607(16) -0.0125(13) 0.0099(10) -0.0107(11)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
O6 C2 1.263(6) . ?
O6 Ru2 2.262(3) 1_554 ?
O3 C1 1.271(6) . ?
O3 Cd1 2.242(4) 1_455 ?
Cd1 O3 2.242(4) 1_655 ?
Cd1 O11 2.270(3) . ?
Cd1 O13 2.286(4) . ?
Cd1 O15 2.302(4) . ?
Cd1 O14 2.349(4) . ?
Cd1 O11 2.410(4) 2_657 ?
Ru1 O4 2.009(4) . ?
Ru1 O1 2.019(3) . ?
Ru1 O5 2.026(4) 2_466 ?
Ru1 O2 2.028(3) 2_466 ?
Ru1 Ru1 2.2530(10) 2_466 ?
Ru1 O7 2.269(4) . ?
Ru2 O8 2.009(3) . ?
Ru2 O10 2.021(3) . ?
Ru2 O12 2.026(3) 2_567 ?
Ru2 O9 2.038(3) 2_567 ?
Ru2 Ru2 2.2575(10) 2_567 ?
Ru2 O6 2.262(3) 1_556 ?
O1 C1 1.285(6) . ?
O2 C1 1.305(6) . ?
O2 Ru1 2.028(3) 2_466 ?
O4 C2 1.295(6) . ?
O4 K1 2.852(4) . ?
O5 C2 1.303(6) . ?
O5 Ru1 2.026(4) 2_466 ?
O5 K2 3.063(3) . ?
O7 C4 1.271(6) . ?
O7 K2 3.110(4) 1_556 ?
O10 C3 1.300(6) . ?
O12 C3 1.287(6) . ?
O12 Ru2 2.026(3) 2_567 ?
O8 C4 1.291(6) . ?
O8 K2 2.714(3) 1_556 ?
O9 C4 1.296(6) . ?
O9 Ru2 2.038(3) 2_567 ?
O9 K1 2.874(3) . ?
O11 C3 1.266(6) . ?
O11 Cd1 2.410(4) 2_657 ?
O13 K2 2.928(4) 1_656 ?
O13 H13A 0.8499 . ?
O13 H13B 0.8500 . ?
O14 H14A 0.8501 . ?
O14 H14B 0.8501 . ?
O15 H15A 0.8500 . ?
O15 H15B 0.8500 . ?
C4 K2 3.226(5) 1_556 ?
O16 K1 2.867(5) . ?
O16 H16A 0.8500 . ?
O16 H16B 0.8501 . ?
K1 O4 2.852(4) 2_566 ?
K1 O16 2.867(5) 2_566 ?
K1 O9 2.874(3) 2_566 ?
K1 Ru1 4.0305(10) 2_566 ?
K2 O8 2.714(3) 1_554 ?
K2 O8 2.714(3) 2_466 ?
K2 O13 2.928(4) 1_454 ?
K2 O13 2.928(4) 2_566 ?
K2 O5 3.063(3) 2_465 ?
K2 O7 3.110(4) 1_554 ?
K2 O7 3.110(4) 2_466 ?
K2 C4 3.226(5) 1_554 ?
K2 C4 3.226(5) 2_466 ?

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
C2 O6 Ru2 126.8(3) . 1_554 ?
C1 O3 Cd1 114.4(3) . 1_455 ?
O3 Cd1 O11 103.82(14) 1_655 . ?
O3 Cd1 O13 110.78(14) 1_655 . ?
O11 Cd1 O13 92.20(14) . . ?
O3 Cd1 O15 87.25(14) 1_655 . ?
O11 Cd1 O15 167.78(13) . . ?
O13 Cd1 O15 88.59(16) . . ?
O3 Cd1 O14 86.06(14) 1_655 . ?
O11 Cd1 O14 87.41(14) . . ?
O13 Cd1 O14 162.68(15) . . ?
O15 Cd1 O14 88.22(15) . . ?
O3 Cd1 O11 167.19(13) 1_655 2_657 ?
O11 Cd1 O11 73.61(13) . 2_657 ?
O13 Cd1 O11 81.97(13) . 2_657 ?
O15 Cd1 O11 94.45(13) . 2_657 ?
O14 Cd1 O11 81.31(14) . 2_657 ?
O4 Ru1 O1 92.61(15) . . ?
O4 Ru1 O5 178.99(15) . 2_466 ?
O1 Ru1 O5 88.40(15) . 2_466 ?
O4 Ru1 O2 87.51(15) . 2_466 ?
O1 Ru1 O2 179.86(16) . 2_466 ?
O5 Ru1 O2 91.48(15) 2_466 2_466 ?
O4 Ru1 Ru1 89.70(10) . 2_466 ?
O1 Ru1 Ru1 89.33(10) . 2_466 ?
O5 Ru1 Ru1 90.31(10) 2_466 2_466 ?
O2 Ru1 Ru1 90.59(10) 2_466 2_466 ?
O4 Ru1 O7 89.56(14) . . ?
O1 Ru1 O7 81.64(14) . . ?
O5 Ru1 O7 90.60(14) 2_466 . ?
O2 Ru1 O7 98.44(14) 2_466 . ?
Ru1 Ru1 O7 170.90(10) 2_466 . ?
O8 Ru2 O10 90.54(15) . . ?
O8 Ru2 O12 89.16(15) . 2_567 ?
O10 Ru2 O12 179.58(14) . 2_567 ?
O8 Ru2 O9 179.35(15) . 2_567 ?
O10 Ru2 O9 90.10(15) . 2_567 ?
O12 Ru2 O9 90.19(15) 2_567 2_567 ?
O8 Ru2 Ru2 89.01(10) . 2_567 ?
O10 Ru2 Ru2 88.54(10) . 2_567 ?
O12 Ru2 Ru2 91.16(10) 2_567 2_567 ?
O9 Ru2 Ru2 90.97(10) 2_567 2_567 ?
O8 Ru2 O6 89.08(14) . 1_556 ?
O10 Ru2 O6 82.28(13) . 1_556 ?
O12 Ru2 O6 98.01(13) 2_567 1_556 ?
O9 Ru2 O6 91.06(14) 2_567 1_556 ?
Ru2 Ru2 O6 170.60(9) 2_567 1_556 ?
C1 O1 Ru1 120.1(3) . . ?
C1 O2 Ru1 117.9(3) . 2_466 ?
C2 O4 Ru1 120.6(3) . . ?
C2 O4 K1 114.4(3) . . ?
Ru1 O4 K1 110.83(14) . . ?
C2 O5 Ru1 119.0(3) . 2_466 ?
C2 O5 K2 129.4(3) . . ?
Ru1 O5 K2 108.70(14) 2_466 . ?
C4 O7 Ru1 147.2(3) . . ?
C4 O7 K2 83.6(3) . 1_556 ?
Ru1 O7 K2 100.79(14) . 1_556 ?
C3 O10 Ru2 121.0(3) . . ?
C3 O12 Ru2 118.5(3) . 2_567 ?
C4 O8 Ru2 121.0(3) . . ?
C4 O8 K2 101.3(3) . 1_556 ?
Ru2 O8 K2 123.47(15) . 1_556 ?
C4 O9 Ru2 117.4(3) . 2_567 ?
C4 O9 K1 120.9(3) . . ?
Ru2 O9 K1 119.84(14) 2_567 . ?
C3 O11 Cd1 125.0(3) . . ?
C3 O11 Cd1 119.2(3) . 2_657 ?
Cd1 O11 Cd1 106.39(13) . 2_657 ?
Cd1 O13 K2 135.77(19) . 1_656 ?
Cd1 O13 H13A 109.3 . . ?
K2 O13 H13A 48.6 1_656 . ?
Cd1 O13 H13B 109.3 . . ?
K2 O13 H13B 62.4 1_656 . ?
H13A O13 H13B 109.5 . . ?
Cd1 O14 H14A 109.3 . . ?
Cd1 O14 H14B 109.3 . . ?
H14A O14 H14B 109.5 . . ?
Cd1 O15 H15A 109.2 . . ?
Cd1 O15 H15B 109.4 . . ?
H15A O15 H15B 109.5 . . ?
O3 C1 O1 119.6(5) . . ?
O3 C1 O2 119.8(5) . . ?
O1 C1 O2 120.6(5) . . ?
O6 C2 O4 120.1(5) . . ?
O6 C2 O5 119.6(5) . . ?
O4 C2 O5 120.3(4) . . ?
O11 C3 O12 122.1(4) . . ?
O11 C3 O10 117.3(4) . . ?
O12 C3 O10 120.6(4) . . ?
O7 C4 O8 117.6(5) . . ?
O7 C4 O9 120.8(5) . . ?
O8 C4 O9 121.6(4) . . ?
O7 C4 K2 73.3(3) . 1_556 ?
O8 C4 K2 55.6(2) . 1_556 ?
O9 C4 K2 146.3(3) . 1_556 ?
K1 O16 H16A 109.3 . . ?
K1 O16 H16B 109.3 . . ?
H16A O16 H16B 109.5 . . ?
O4 K1 O4 180.00(6) 2_566 . ?
O4 K1 O16 103.62(12) 2_566 2_566 ?
O4 K1 O16 76.38(12) . 2_566 ?
O4 K1 O16 76.38(12) 2_566 . ?
O4 K1 O16 103.62(12) . . ?
O16 K1 O16 180.000(1) 2_566 . ?
O4 K1 O9 89.76(10) 2_566 2_566 ?
O4 K1 O9 90.24(10) . 2_566 ?
O16 K1 O9 90.36(12) 2_566 2_566 ?
O16 K1 O9 89.64(12) . 2_566 ?
O4 K1 O9 90.24(10) 2_566 . ?
O4 K1 O9 89.76(10) . . ?
O16 K1 O9 89.64(12) 2_566 . ?
O16 K1 O9 90.36(12) . . ?
O9 K1 O9 180.0 2_566 . ?
O4 K1 Ru1 27.77(7) 2_566 2_566 ?
O4 K1 Ru1 152.23(7) . 2_566 ?
O16 K1 Ru1 86.99(9) 2_566 2_566 ?
O16 K1 Ru1 93.01(9) . 2_566 ?
O9 K1 Ru1 67.47(7) 2_566 2_566 ?
O9 K1 Ru1 112.53(7) . 2_566 ?
O8 K2 O8 180.0 1_554 2_466 ?
O8 K2 O13 70.72(11) 1_554 1_454 ?
O8 K2 O13 109.28(11) 2_466 1_454 ?
O8 K2 O13 109.28(11) 1_554 2_566 ?
O8 K2 O13 70.72(11) 2_466 2_566 ?
O13 K2 O13 180.00(17) 1_454 2_566 ?
O8 K2 O5 101.39(10) 1_554 2_465 ?
O8 K2 O5 78.61(10) 2_466 2_465 ?
O13 K2 O5 83.12(11) 1_454 2_465 ?
O13 K2 O5 96.88(11) 2_566 2_465 ?
O8 K2 O5 78.61(10) 1_554 . ?
O8 K2 O5 101.39(10) 2_466 . ?
O13 K2 O5 96.88(11) 1_454 . ?
O13 K2 O5 83.12(11) 2_566 . ?
O5 K2 O5 180.00(15) 2_465 . ?
O8 K2 O7 43.53(10) 1_554 1_554 ?
O8 K2 O7 136.47(10) 2_466 1_554 ?
O13 K2 O7 58.06(11) 1_454 1_554 ?
O13 K2 O7 121.94(11) 2_566 1_554 ?
O5 K2 O7 59.39(9) 2_465 1_554 ?
O5 K2 O7 120.61(9) . 1_554 ?
O8 K2 O7 136.47(10) 1_554 2_466 ?
O8 K2 O7 43.53(10) 2_466 2_466 ?
O13 K2 O7 121.94(11) 1_454 2_466 ?
O13 K2 O7 58.06(11) 2_566 2_466 ?
O5 K2 O7 120.61(9) 2_465 2_466 ?
O5 K2 O7 59.39(9) . 2_466 ?
O7 K2 O7 180.00(13) 1_554 2_466 ?
O8 K2 C4 23.10(11) 1_554 1_554 ?
O8 K2 C4 156.90(11) 2_466 1_554 ?
O13 K2 C4 69.93(12) 1_454 1_554 ?
O13 K2 C4 110.07(12) 2_566 1_554 ?
O5 K2 C4 78.39(11) 2_465 1_554 ?
O5 K2 C4 101.61(11) . 1_554 ?
O7 K2 C4 23.04(11) 1_554 1_554 ?
O7 K2 C4 156.96(11) 2_466 1_554 ?
O8 K2 C4 156.90(11) 1_554 2_466 ?
O8 K2 C4 23.10(11) 2_466 2_466 ?
O13 K2 C4 110.07(12) 1_454 2_466 ?
O13 K2 C4 69.93(12) 2_566 2_466 ?
O5 K2 C4 101.61(11) 2_465 2_466 ?
O5 K2 C4 78.39(11) . 2_466 ?
O7 K2 C4 156.96(11) 1_554 2_466 ?
O7 K2 C4 23.04(11) 2_466 2_466 ?
C4 K2 C4 180.00(17) 1_554 2_466 ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.037
_refine_diff_density_min         -0.841
_refine_diff_density_rms         0.166


_database_code_depnum_ccdc_archive 'CCDC 914047'