# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2014

#######################################################################
#
#                 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_Cd4YbB3O10

_audit_update_record             
;
2014-04-10 # Formatted by publCIF
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B3 Cd4 O10 Yb'
_chemical_formula_weight         815.07

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 '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'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   Cm

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

_cell_length_a                   7.938(4)
_cell_length_b                   15.794(7)
_cell_length_c                   3.4414(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.992(9)
_cell_angle_gamma                90.00
_cell_volume                     424.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    701
_cell_measurement_theta_min      2.5792
_cell_measurement_theta_max      27.4470

_exptl_crystal_description       Prism
_exptl_crystal_colour            White
_exptl_crystal_size_max          0.4500
_exptl_crystal_size_mid          0.1500
_exptl_crystal_size_min          0.0500
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    6.370
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             714
_exptl_absorpt_coefficient_mu    20.787
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5425
_exptl_absorpt_process_details   ?

_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       
;
Mercury70 (2x2 bin mode)
;
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_standards_number         ?
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        0
_diffrn_reflns_number            2111
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_av_sigmaI/netI    0.0838
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_theta_min         2.58
_diffrn_reflns_theta_max         27.52
_reflns_number_total             983
_reflns_number_gt                929
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0745P)²+13.7318P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    .
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0162(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_number_reflns         983
_refine_ls_number_parameters     55
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0527
_refine_ls_wR_factor_ref         0.1380
_refine_ls_wR_factor_gt          0.1367
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_restrained_S_all      1.110
_refine_ls_shift/su_max          0.000
_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
Yb1 Yb 0.02271(19) 0.5000 0.6932(3) 0.0153(5) Uani 1 2 d S . .
Cd1 Cd 0.37901(18) 0.38790(9) 0.3596(3) 0.0022(4) Uiso 1 1 d . . .
Cd2 Cd 0.2642(2) 0.17826(10) 0.0552(4) 0.0094(5) Uani 1 1 d . . .
O1 O 0.199(3) 0.5000 0.275(6) 0.008(4) Uiso 1 2 d S . .
O2 O 0.549(3) 0.2719(13) 0.390(5) 0.021(4) Uiso 1 1 d . . .
O3 O 0.237(3) 0.3213(11) 0.807(6) 0.018(4) Uani 1 1 d . . .
O4 O 0.067(2) 0.0768(11) -0.059(4) 0.010(3) Uiso 1 1 d . . .
O5 O 0.436(2) 0.1414(12) -0.388(5) 0.016(4) Uiso 1 1 d . . .
O6 O -0.170(4) 0.5000 1.107(9) 0.029(7) Uiso 1 2 d S . .
B1 B 0.140(5) 0.0000 -0.019(9) 0.004(6) Uiso 1 2 d S . .
B2 B 0.077(3) 0.3005(17) 0.611(7) 0.006(4) Uiso 1 1 d . . .


_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
Yb1 O1 2.17(2) . ?
Yb1 O1 2.24(2) 1_556 ?
Yb1 O6 2.26(3) . ?
Yb1 O6 2.31(3) 1_554 ?
Yb1 O5 2.340(19) 4_456 ?
Yb1 O5 2.340(19) 3_456 ?
Yb1 B2 3.20(3) 2_565 ?
Yb1 B2 3.20(3) . ?
Yb1 Yb1 3.4414(15) 1_556 ?
Yb1 Yb1 3.4414(15) 1_554 ?
Yb1 Cd1 3.685(2) . ?
Yb1 Cd1 3.685(2) 2_565 ?
Cd1 O1 2.263(15) . ?
Cd1 O2 2.27(2) . ?
Cd1 O3 2.291(19) 1_554 ?
Cd1 O3 2.310(19) . ?
Cd1 O4 2.314(15) 4 ?
Cd1 O4 2.346(15) 4_556 ?
Cd1 Cd1 3.4414(15) 1_556 ?
Cd1 Cd1 3.4414(15) 1_554 ?
Cd1 Yb1 3.761(2) 1_554 ?
Cd2 O5 2.226(18) 1_556 ?
Cd2 O4 2.228(18) . ?
Cd2 O5 2.289(17) . ?
Cd2 O2 2.356(19) 4_455 ?
Cd2 O3 2.413(18) 1_554 ?
Cd2 B2 2.74(3) 1_554 ?
Cd2 Cd2 3.4414(15) 1_556 ?
Cd2 Cd2 3.4414(15) 1_554 ?
Cd2 Yb1 3.818(2) 3_544 ?
Cd2 Yb1 3.924(2) 3_545 ?
O1 Yb1 2.24(2) 1_554 ?
O1 Cd1 2.263(15) 2_565 ?
O2 B2 1.37(3) 4 ?
O2 Cd2 2.356(19) 4 ?
O3 B2 1.38(3) . ?
O3 Cd1 2.291(19) 1_556 ?
O3 Cd2 2.413(18) 1_556 ?
O4 B1 1.34(2) . ?
O4 Cd1 2.314(15) 4_455 ?
O4 Cd1 2.346(15) 4_454 ?
O5 B2 1.45(3) 4_554 ?
O5 Cd2 2.226(18) 1_554 ?
O5 Yb1 2.340(19) 3_544 ?
O6 B1 1.49(5) 3_456 ?
O6 Yb1 2.31(3) 1_556 ?
B1 O4 1.34(2) 2 ?
B1 O6 1.49(5) 3_544 ?
B2 O2 1.37(3) 4_455 ?
B2 O5 1.45(3) 4_456 ?
B2 Cd2 2.74(3) 1_556 ?

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 Yb1 O1 102.7(10) . 1_556 ?
O1 Yb1 O6 177.6(11) . . ?
O1 Yb1 O6 79.8(10) 1_556 . ?
O1 Yb1 O6 80.0(10) . 1_554 ?
O1 Yb1 O6 177.3(10) 1_556 1_554 ?
O6 Yb1 O6 97.5(12) . 1_554 ?
O1 Yb1 O5 97.5(4) . 4_456 ?
O1 Yb1 O5 103.5(5) 1_556 4_456 ?
O6 Yb1 O5 81.8(5) . 4_456 ?
O6 Yb1 O5 76.0(5) 1_554 4_456 ?
O1 Yb1 O5 97.5(4) . 3_456 ?
O1 Yb1 O5 103.5(5) 1_556 3_456 ?
O6 Yb1 O5 81.8(5) . 3_456 ?
O6 Yb1 O5 76.0(5) 1_554 3_456 ?
O5 Yb1 O5 145.2(10) 4_456 3_456 ?
O1 Yb1 B2 80.2(4) . 2_565 ?
O1 Yb1 B2 90.4(5) 1_556 2_565 ?
O6 Yb1 B2 99.9(4) . 2_565 ?
O6 Yb1 B2 90.1(5) 1_554 2_565 ?
O5 Yb1 B2 166.0(7) 4_456 2_565 ?
O5 Yb1 B2 24.6(6) 3_456 2_565 ?
O1 Yb1 B2 80.2(4) . . ?
O1 Yb1 B2 90.4(5) 1_556 . ?
O6 Yb1 B2 99.9(4) . . ?
O6 Yb1 B2 90.1(5) 1_554 . ?
O5 Yb1 B2 24.6(6) 4_456 . ?
O5 Yb1 B2 166.0(7) 3_456 . ?
B2 Yb1 B2 160.1(8) 2_565 . ?
O1 Yb1 Yb1 140.7(6) . 1_556 ?
O1 Yb1 Yb1 38.0(6) 1_556 1_556 ?
O6 Yb1 Yb1 41.8(8) . 1_556 ?
O6 Yb1 Yb1 139.3(8) 1_554 1_556 ?
O5 Yb1 Yb1 93.9(4) 4_456 1_556 ?
O5 Yb1 Yb1 93.9(4) 3_456 1_556 ?
B2 Yb1 Yb1 96.4(4) 2_565 1_556 ?
B2 Yb1 Yb1 96.4(4) . 1_556 ?
O1 Yb1 Yb1 39.3(6) . 1_554 ?
O1 Yb1 Yb1 142.0(6) 1_556 1_554 ?
O6 Yb1 Yb1 138.2(8) . 1_554 ?
O6 Yb1 Yb1 40.7(8) 1_554 1_554 ?
O5 Yb1 Yb1 86.1(4) 4_456 1_554 ?
O5 Yb1 Yb1 86.1(4) 3_456 1_554 ?
B2 Yb1 Yb1 83.6(4) 2_565 1_554 ?
B2 Yb1 Yb1 83.6(4) . 1_554 ?
Yb1 Yb1 Yb1 180.00(10) 1_556 1_554 ?
O1 Yb1 Cd1 34.6(3) . . ?
O1 Yb1 Cd1 83.4(5) 1_556 . ?
O6 Yb1 Cd1 146.6(4) . . ?
O6 Yb1 Cd1 99.0(7) 1_554 . ?
O5 Yb1 Cd1 74.4(4) 4_456 . ?
O5 Yb1 Cd1 130.4(4) 3_456 . ?
B2 Yb1 Cd1 108.9(4) 2_565 . ?
B2 Yb1 Cd1 51.5(4) . . ?
Yb1 Yb1 Cd1 116.41(3) 1_556 . ?
Yb1 Yb1 Cd1 63.59(3) 1_554 . ?
O1 Yb1 Cd1 34.6(3) . 2_565 ?
O1 Yb1 Cd1 83.4(5) 1_556 2_565 ?
O6 Yb1 Cd1 146.6(4) . 2_565 ?
O6 Yb1 Cd1 99.0(7) 1_554 2_565 ?
O5 Yb1 Cd1 130.4(4) 4_456 2_565 ?
O5 Yb1 Cd1 74.4(4) 3_456 2_565 ?
B2 Yb1 Cd1 51.5(4) 2_565 2_565 ?
B2 Yb1 Cd1 108.9(4) . 2_565 ?
Yb1 Yb1 Cd1 116.41(3) 1_556 2_565 ?
Yb1 Yb1 Cd1 63.59(3) 1_554 2_565 ?
Cd1 Yb1 Cd1 57.43(5) . 2_565 ?
O1 Cd1 O2 174.9(8) . . ?
O1 Cd1 O3 92.5(7) . 1_554 ?
O2 Cd1 O3 82.5(7) . 1_554 ?
O1 Cd1 O3 94.1(7) . . ?
O2 Cd1 O3 87.5(7) . . ?
O3 Cd1 O3 96.8(7) 1_554 . ?
O1 Cd1 O4 101.1(7) . 4 ?
O2 Cd1 O4 77.4(6) . 4 ?
O3 Cd1 O4 82.5(6) 1_554 4 ?
O3 Cd1 O4 164.8(7) . 4 ?
O1 Cd1 O4 102.5(7) . 4_556 ?
O2 Cd1 O4 82.5(7) . 4_556 ?
O3 Cd1 O4 164.9(7) 1_554 4_556 ?
O3 Cd1 O4 81.5(6) . 4_556 ?
O4 Cd1 O4 95.2(6) 4 4_556 ?
O1 Cd1 Cd1 91.0(5) . 1_556 ?
O2 Cd1 Cd1 93.3(5) . 1_556 ?
O3 Cd1 Cd1 138.2(5) 1_554 1_556 ?
O3 Cd1 Cd1 41.4(5) . 1_556 ?
O4 Cd1 Cd1 137.3(4) 4 1_556 ?
O4 Cd1 Cd1 42.0(4) 4_556 1_556 ?
O1 Cd1 Cd1 89.0(5) . 1_554 ?
O2 Cd1 Cd1 86.7(5) . 1_554 ?
O3 Cd1 Cd1 41.8(5) 1_554 1_554 ?
O3 Cd1 Cd1 138.6(5) . 1_554 ?
O4 Cd1 Cd1 42.7(4) 4 1_554 ?
O4 Cd1 Cd1 138.0(4) 4_556 1_554 ?
Cd1 Cd1 Cd1 180.00(9) 1_556 1_554 ?
O1 Cd1 Yb1 33.0(5) . . ?
O2 Cd1 Yb1 149.0(5) . . ?
O3 Cd1 Yb1 100.7(5) 1_554 . ?
O3 Cd1 Yb1 61.5(5) . . ?
O4 Cd1 Yb1 133.6(5) 4 . ?
O4 Cd1 Yb1 91.6(4) 4_556 . ?
Cd1 Cd1 Yb1 63.59(3) 1_556 . ?
Cd1 Cd1 Yb1 116.41(3) 1_554 . ?
O1 Cd1 Yb1 33.0(5) . 1_554 ?
O2 Cd1 Yb1 141.9(5) . 1_554 ?
O3 Cd1 Yb1 60.0(5) 1_554 1_554 ?
O3 Cd1 Yb1 102.6(5) . 1_554 ?
O4 Cd1 Yb1 90.2(4) 4 1_554 ?
O4 Cd1 Yb1 135.0(4) 4_556 1_554 ?
Cd1 Cd1 Yb1 118.64(3) 1_556 1_554 ?
Cd1 Cd1 Yb1 61.36(3) 1_554 1_554 ?
Yb1 Cd1 Yb1 55.05(4) . 1_554 ?
O5 Cd2 O4 105.6(6) 1_556 . ?
O5 Cd2 O5 99.3(7) 1_556 . ?
O4 Cd2 O5 100.4(6) . . ?
O5 Cd2 O2 93.1(7) 1_556 4_455 ?
O4 Cd2 O2 77.2(6) . 4_455 ?
O5 Cd2 O2 167.5(6) . 4_455 ?
O5 Cd2 O3 123.6(7) 1_556 1_554 ?
O4 Cd2 O3 126.5(7) . 1_554 ?
O5 Cd2 O3 91.6(6) . 1_554 ?
O2 Cd2 O3 80.4(7) 4_455 1_554 ?
O5 Cd2 B2 149.0(7) 1_556 1_554 ?
O4 Cd2 B2 96.4(7) . 1_554 ?
O5 Cd2 B2 97.8(7) . 1_554 ?
O2 Cd2 B2 70.5(7) 4_455 1_554 ?
O3 Cd2 B2 30.1(7) 1_554 1_554 ?
O5 Cd2 Cd2 41.0(4) 1_556 1_556 ?
O4 Cd2 Cd2 93.1(4) . 1_556 ?
O5 Cd2 Cd2 140.3(5) . 1_556 ?
O2 Cd2 Cd2 52.1(5) 4_455 1_556 ?
O3 Cd2 Cd2 109.8(5) 1_554 1_556 ?
B2 Cd2 Cd2 117.7(5) 1_554 1_556 ?
O5 Cd2 Cd2 139.0(4) 1_556 1_554 ?
O4 Cd2 Cd2 86.9(4) . 1_554 ?
O5 Cd2 Cd2 39.7(5) . 1_554 ?
O2 Cd2 Cd2 127.9(5) 4_455 1_554 ?
O3 Cd2 Cd2 70.2(5) 1_554 1_554 ?
B2 Cd2 Cd2 62.3(5) 1_554 1_554 ?
Cd2 Cd2 Cd2 180.00(10) 1_556 1_554 ?
O5 Cd2 Yb1 78.7(5) 1_556 3_544 ?
O4 Cd2 Yb1 79.2(4) . 3_544 ?
O5 Cd2 Yb1 34.9(5) . 3_544 ?
O2 Cd2 Yb1 152.0(5) 4_455 3_544 ?
O3 Cd2 Yb1 126.5(5) 1_554 3_544 ?
B2 Cd2 Yb1 127.5(5) 1_554 3_544 ?
Cd2 Cd2 Yb1 114.81(3) 1_556 3_544 ?
Cd2 Cd2 Yb1 65.19(3) 1_554 3_544 ?
O5 Cd2 Yb1 31.6(5) 1_556 3_545 ?
O4 Cd2 Yb1 82.3(4) . 3_545 ?
O5 Cd2 Yb1 82.9(5) . 3_545 ?
O2 Cd2 Yb1 108.7(5) 4_455 3_545 ?
O3 Cd2 Yb1 151.2(5) 1_554 3_545 ?
B2 Cd2 Yb1 178.6(5) 1_554 3_545 ?
Cd2 Cd2 Yb1 62.04(3) 1_556 3_545 ?
Cd2 Cd2 Yb1 117.96(3) 1_554 3_545 ?
Yb1 Cd2 Yb1 52.76(3) 3_544 3_545 ?
Yb1 O1 Yb1 102.7(10) . 1_554 ?
Yb1 O1 Cd1 112.4(7) . 2_565 ?
Yb1 O1 Cd1 113.4(6) 1_554 2_565 ?
Yb1 O1 Cd1 112.4(7) . . ?
Yb1 O1 Cd1 113.4(6) 1_554 . ?
Cd1 O1 Cd1 102.9(10) 2_565 . ?
B2 O2 Cd1 137.5(15) 4 . ?
B2 O2 Cd2 119.4(15) 4 4 ?
Cd1 O2 Cd2 100.6(7) . 4 ?
B2 O3 Cd1 142.8(16) . 1_556 ?
B2 O3 Cd1 107.5(14) . . ?
Cd1 O3 Cd1 96.8(7) 1_556 . ?
B2 O3 Cd2 88.1(14) . 1_556 ?
Cd1 O3 Cd2 97.7(7) 1_556 1_556 ?
Cd1 O3 Cd2 129.7(9) . 1_556 ?
B1 O4 Cd2 110.6(18) . . ?
B1 O4 Cd1 118.0(16) . 4_455 ?
Cd2 O4 Cd1 103.0(7) . 4_455 ?
B1 O4 Cd1 120.2(17) . 4_454 ?
Cd2 O4 Cd1 107.6(7) . 4_454 ?
Cd1 O4 Cd1 95.2(6) 4_455 4_454 ?
B2 O5 Cd2 100.9(12) 4_554 1_554 ?
B2 O5 Cd2 112.9(13) 4_554 . ?
Cd2 O5 Cd2 99.3(7) 1_554 . ?
B2 O5 Yb1 113.1(15) 4_554 3_544 ?
Cd2 O5 Yb1 118.5(8) 1_554 3_544 ?
Cd2 O5 Yb1 111.1(7) . 3_544 ?
B1 O6 Yb1 125.2(19) 3_456 . ?
B1 O6 Yb1 137(2) 3_456 1_556 ?
Yb1 O6 Yb1 97.5(12) . 1_556 ?
O4 B1 O4 129(3) 2 . ?
O4 B1 O6 115.3(17) 2 3_544 ?
O4 B1 O6 115.3(17) . 3_544 ?
O2 B2 O3 121(2) 4_455 . ?
O2 B2 O5 119(2) 4_455 4_456 ?
O3 B2 O5 120(2) . 4_456 ?
O2 B2 Cd2 75.0(14) 4_455 1_556 ?
O3 B2 Cd2 61.7(12) . 1_556 ?
O5 B2 Cd2 142.3(14) 4_456 1_556 ?
O2 B2 Yb1 149.4(17) 4_455 . ?
O3 B2 Yb1 81.2(14) . . ?
O5 B2 Yb1 42.3(11) 4_456 . ?
Cd2 B2 Yb1 135.5(9) 1_556 . ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        27.52
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         3.965
_refine_diff_density_min         -3.281
_refine_diff_density_rms         0.725

_database_code_depnum_ccdc_archive 'CCDC 996591'
