#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:13:47 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178890 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/19/4111959.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4111959
loop_
_publ_author_name
'Anna Kornienko'
'Santanu Banerjee'
'G. Ajith Kumar'
'Richard E. Riman'
'Thomas J. Emge'
'John G. Brennan'
_publ_section_title
;
 Heterometallic Chalcogenido Clusters Containing Lanthanides and Main
 Group Metals: Emissive Precursors to Ternary Solid-State Compounds
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14008
_journal_page_last               14014
_journal_paper_doi               10.1021/ja0534708
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C64 H60 Cd2 N8 Se10.11 Yb4'
_chemical_formula_weight         2656.05
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.575(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.8817(6)
_cell_length_b                   17.4734(8)
_cell_length_c                   17.0293(8)
_cell_measurement_reflns_used    5745
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.38
_cell_measurement_theta_min      2.33
_cell_volume                     3564.5(3)
_computing_data_collection       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_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  0.0993
_diffrn_reflns_av_sigmaI/netI    0.0909
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36261
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.74
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.983
_exptl_absorpt_correction_T_max  0.9999
_exptl_absorpt_correction_T_min  0.6395
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SAINT (SADABS)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.475
_exptl_crystal_description       rod
_exptl_crystal_F_000             2439
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.055
_exptl_crystal_size_min          0.045
_refine_diff_density_max         2.783
_refine_diff_density_min         -1.804
_refine_diff_density_rms         0.262
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         8838
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0976
_refine_ls_R_factor_gt           0.0526
_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/[σ²(Fo²)+(0.0400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1107
_reflns_number_gt                5743
_reflns_number_total             8838
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0534708si20050526_052720.cif
_cod_data_source_block           yb4cd2se6
_cod_database_code               4111959
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.04660(6) 0.32625(4) 0.51006(5) 0.02424(16) Uani 1 1 d . . .
Yb1 Yb 0.10419(3) 0.51219(2) 0.44096(3) 0.02053(10) Uani 1 1 d . . .
Yb2 Yb 0.21480(3) 0.43603(2) 0.67879(3) 0.02321(11) Uani 1 1 d . . .
Se1 Se 0.23999(7) 0.39384(5) 0.53118(6) 0.0247(2) Uani 1 1 d . A .
Se2 Se -0.09751(7) 0.43251(5) 0.40559(6) 0.0209(2) Uani 1 1 d . . .
Se3 Se 0.01224(7) 0.36224(5) 0.64781(6) 0.0228(2) Uani 1 1 d . . .
N1 N 0.1117(6) 0.4616(5) 0.3096(5) 0.0286(19) Uani 1 1 d . . .
C1 C 0.1036(8) 0.3857(6) 0.2945(7) 0.034(3) Uani 1 1 d . . .
H1 H 0.1041 0.3521 0.3385 0.040 Uiso 1 1 calc R . .
C2 C 0.0947(9) 0.3550(7) 0.2182(8) 0.045(3) Uani 1 1 d . . .
H2 H 0.0908 0.3012 0.2096 0.054 Uiso 1 1 calc R . .
C3 C 0.0916(9) 0.4043(7) 0.1543(8) 0.046(3) Uani 1 1 d . . .
H3 H 0.0824 0.3844 0.1002 0.055 Uiso 1 1 calc R . .
C4 C 0.1016(10) 0.4818(7) 0.1677(8) 0.046(3) Uani 1 1 d . . .
H4 H 0.1018 0.5163 0.1247 0.056 Uiso 1 1 calc R . .
C5 C 0.1111(8) 0.5068(6) 0.2463(7) 0.033(2) Uani 1 1 d . . .
H5 H 0.1178 0.5604 0.2565 0.040 Uiso 1 1 calc R . .
N2 N 0.2726(6) 0.5800(5) 0.4544(5) 0.031(2) Uani 1 1 d . . .
C6 C 0.3545(8) 0.5471(6) 0.4344(7) 0.039(3) Uani 1 1 d . . .
H6 H 0.3414 0.4970 0.4112 0.047 Uiso 1 1 calc R . .
C7 C 0.4559(8) 0.5806(7) 0.4448(7) 0.043(3) Uani 1 1 d . . .
H7 H 0.5092 0.5547 0.4279 0.052 Uiso 1 1 calc R . .
C8 C 0.4776(9) 0.6523(7) 0.4804(7) 0.044(3) Uani 1 1 d . . .
H8 H 0.5469 0.6770 0.4897 0.052 Uiso 1 1 calc R . .
C9 C 0.3964(9) 0.6875(7) 0.5020(8) 0.048(3) Uani 1 1 d . . .
H9 H 0.4096 0.7369 0.5270 0.057 Uiso 1 1 calc R . .
C10 C 0.2942(8) 0.6505(6) 0.4872(7) 0.036(3) Uani 1 1 d . . .
H10 H 0.2383 0.6765 0.5010 0.044 Uiso 1 1 calc R . .
N3 N 0.3906(6) 0.5111(5) 0.7130(5) 0.0296(19) Uani 1 1 d . A .
C11 C 0.3967(8) 0.5857(5) 0.6967(6) 0.031(2) Uani 1 1 d . . .
H11 H 0.3294 0.6145 0.6770 0.037 Uiso 1 1 calc R A .
C12 C 0.4972(8) 0.6240(6) 0.7070(7) 0.038(3) Uani 1 1 d . A .
H12 H 0.4984 0.6773 0.6965 0.045 Uiso 1 1 calc R . .
C13 C 0.5931(9) 0.5813(7) 0.7329(8) 0.044(3) Uani 1 1 d . . .
H13 H 0.6621 0.6038 0.7373 0.053 Uiso 1 1 calc R A .
C14 C 0.5882(9) 0.5060(7) 0.7525(8) 0.051(3) Uani 1 1 d . A .
H14 H 0.6547 0.4765 0.7742 0.062 Uiso 1 1 calc R . .
C15 C 0.4887(8) 0.4737(7) 0.7407(7) 0.042(3) Uani 1 1 d . . .
H15 H 0.4877 0.4207 0.7528 0.051 Uiso 1 1 calc R A .
N4 N 0.2036(7) 0.4961(5) 0.8044(5) 0.031(2) Uani 1 1 d . A .
C16 C 0.2223(9) 0.5695(6) 0.8264(7) 0.041(3) Uani 1 1 d . . .
H16 H 0.2352 0.6041 0.7879 0.050 Uiso 1 1 calc R A .
C17 C 0.2236(14) 0.5972(8) 0.9014(9) 0.079(5) Uani 1 1 d . A .
H17 H 0.2391 0.6497 0.9149 0.095 Uiso 1 1 calc R . .
C18 C 0.2029(14) 0.5498(8) 0.9570(9) 0.074(5) Uani 1 1 d . . .
H18 H 0.2017 0.5688 1.0089 0.089 Uiso 1 1 calc R A .
C19 C 0.1841(11) 0.4749(7) 0.9369(8) 0.050(3) Uani 1 1 d . A .
H19 H 0.1743 0.4398 0.9762 0.060 Uiso 1 1 calc R . .
C20 C 0.1793(7) 0.4505(6) 0.8604(6) 0.030(2) Uani 1 1 d . . .
H20 H 0.1579 0.3990 0.8447 0.036 Uiso 1 1 calc R A .
Se4 Se 0.33617(9) 0.30922(6) 0.76793(10) 0.0317(3) Uani 0.948(2) 1 d P A 1
C21 C 0.3742(9) 0.3313(6) 0.8875(7) 0.033(3) Uani 0.948(2) 1 d P A 1
C22 C 0.4506(10) 0.3852(7) 0.9277(8) 0.042(3) Uani 0.948(2) 1 d P A 1
H22 H 0.4844 0.4132 0.8957 0.051 Uiso 0.948(2) 1 calc PR A 1
C23 C 0.4825(12) 0.4021(9) 1.0130(9) 0.058(4) Uani 0.948(2) 1 d P A 1
H23 H 0.5372 0.4397 1.0402 0.070 Uiso 0.948(2) 1 calc PR A 1
C24 C 0.4286(16) 0.3598(10) 1.0553(10) 0.076(5) Uani 0.948(2) 1 d P A 1
H24 H 0.4499 0.3685 1.1142 0.092 Uiso 0.948(2) 1 calc PR A 1
C25 C 0.3477(16) 0.3068(10) 1.0194(12) 0.060(5) Uani 0.948(2) 1 d P A 1
H25 H 0.3103 0.2813 1.0507 0.072 Uiso 0.948(2) 1 calc PR A 1
C26 C 0.3219(11) 0.2916(7) 0.9312(9) 0.045(3) Uani 0.948(2) 1 d P A 1
H26 H 0.2682 0.2536 0.9033 0.054 Uiso 0.948(2) 1 calc PR A 1
Se4B Se 0.3263(19) 0.3010(13) 0.7222(17) 0.030 Uiso 0.052(2) 1 d P A 2
Se6B Se 0.2730(19) 0.2561(13) 0.8340(14) 0.040 Uiso 0.052(2) 1 d P A 2
C21B C 0.384(17) 0.314(12) 0.939(12) 0.050 Uiso 0.052(2) 1 d PG A 2
C22B C 0.474(17) 0.359(12) 0.942(10) 0.050 Uiso 0.052(2) 1 d PG A 2
H22B H 0.4985 0.3595 0.8955 0.060 Uiso 0.052(2) 1 calc PR A 2
C23B C 0.528(14) 0.404(11) 1.013(12) 0.050 Uiso 0.052(2) 1 d PG A 2
H23B H 0.5902 0.4347 1.0147 0.060 Uiso 0.052(2) 1 calc PR A 2
C24B C 0.493(15) 0.403(11) 1.080(10) 0.050 Uiso 0.052(2) 1 d PG A 2
H24B H 0.5299 0.4340 1.1286 0.060 Uiso 0.052(2) 1 calc PR A 2
C25B C 0.402(18) 0.358(14) 1.077(12) 0.050 Uiso 0.052(2) 1 d PG A 2
H25B H 0.3779 0.3580 1.1234 0.060 Uiso 0.052(2) 1 calc PR A 2
C26B C 0.348(18) 0.314(14) 1.006(15) 0.050 Uiso 0.052(2) 1 d PG A 2
H26B H 0.2862 0.2828 1.0042 0.060 Uiso 0.052(2) 1 calc PR A 2
Se5 Se 0.01871(10) 0.19922(7) 0.43138(8) 0.0469(3) Uani 1 1 d . . .
C27 C -0.1346(9) 0.2083(5) 0.3594(7) 0.033(3) Uani 1 1 d . . .
C28 C -0.2206(10) 0.1975(6) 0.3860(8) 0.042(3) Uani 1 1 d . . .
H28 H -0.2034 0.1874 0.4443 0.051 Uiso 1 1 calc R . .
C29 C -0.3297(11) 0.2001(7) 0.3343(9) 0.052(3) Uani 1 1 d . . .
H29 H -0.3866 0.1923 0.3566 0.063 Uiso 1 1 calc R . .
C30 C -0.3574(10) 0.2142(7) 0.2499(9) 0.052(3) Uani 1 1 d . . .
H30 H -0.4334 0.2161 0.2131 0.063 Uiso 1 1 calc R . .
C31 C -0.2710(10) 0.2257(7) 0.2180(8) 0.047(3) Uani 1 1 d . . .
H31 H -0.2882 0.2354 0.1597 0.056 Uiso 1 1 calc R . .
C32 C -0.1620(9) 0.2225(6) 0.2733(7) 0.036(3) Uani 1 1 d . . .
H32 H -0.1038 0.2302 0.2524 0.043 Uiso 1 1 calc R . .
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'
Se Se -0.0929 2.2259 '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'
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
Se5 Cd1 Se3 129.97(5) . .
Se5 Cd1 Se1 113.69(4) . .
Se3 Cd1 Se1 103.34(4) . .
Se5 Cd1 Se2 108.38(4) . .
Se3 Cd1 Se2 96.93(3) . .
Se1 Cd1 Se2 99.37(3) . .
N2 Yb1 N1 85.8(3) . .
N2 Yb1 Se3 87.2(2) . 3_566
N1 Yb1 Se3 89.01(19) . 3_566
N2 Yb1 Se1 87.2(2) . .
N1 Yb1 Se1 90.47(19) . .
Se3 Yb1 Se1 174.37(3) 3_566 .
N2 Yb1 Se2 173.5(2) . .
N1 Yb1 Se2 88.22(18) . .
Se3 Yb1 Se2 90.18(3) 3_566 .
Se1 Yb1 Se2 95.41(3) . .
N2 Yb1 Se2 94.4(2) . 3_566
N1 Yb1 Se2 178.7(2) . 3_566
Se3 Yb1 Se2 92.26(3) 3_566 3_566
Se1 Yb1 Se2 88.29(3) . 3_566
Se2 Yb1 Se2 91.58(3) . 3_566
N4 Yb2 N3 84.9(3) . .
N4 Yb2 Se4B 109.3(6) . .
N3 Yb2 Se4B 92.8(5) . .
N4 Yb2 Se1 169.62(19) . .
N3 Yb2 Se1 87.26(19) . .
Se4B Yb2 Se1 77.8(6) . .
N4 Yb2 Se3 90.67(19) . .
N3 Yb2 Se3 174.97(19) . .
Se4B Yb2 Se3 90.8(5) . .
Se1 Yb2 Se3 96.90(3) . .
N4 Yb2 Se4 93.79(19) . .
N3 Yb2 Se4 90.66(19) . .
Se4B Yb2 Se4 15.6(6) . .
Se1 Yb2 Se4 93.05(4) . .
Se3 Yb2 Se4 91.93(3) . .
N4 Yb2 Se2 84.45(19) . 3_566
N3 Yb2 Se2 87.76(19) . 3_566
Se4B Yb2 Se2 166.2(6) . 3_566
Se1 Yb2 Se2 88.50(3) . 3_566
Se3 Yb2 Se2 89.51(3) . 3_566
Se4 Yb2 Se2 177.74(4) . 3_566
Cd1 Se1 Yb2 79.82(3) . .
Cd1 Se1 Yb1 83.56(3) . .
Yb2 Se1 Yb1 92.53(3) . .
Cd1 Se2 Yb1 81.12(3) . .
Cd1 Se2 Yb1 82.86(3) . 3_566
Yb1 Se2 Yb1 88.43(3) . 3_566
Cd1 Se2 Yb2 168.07(4) . 3_566
Yb1 Se2 Yb2 89.18(3) . 3_566
Yb1 Se2 Yb2 89.99(3) 3_566 3_566
Cd1 Se3 Yb1 86.41(3) . 3_566
Cd1 Se3 Yb2 79.94(3) . .
Yb1 Se3 Yb2 91.05(3) 3_566 .
C5 N1 C1 116.8(9) . .
C5 N1 Yb1 122.4(7) . .
C1 N1 Yb1 120.4(7) . .
N1 C1 C2 122.7(11) . .
C1 C2 C3 118.1(11) . .
C4 C3 C2 120.8(12) . .
C3 C4 C5 116.6(11) . .
N1 C5 C4 124.8(10) . .
C10 N2 C6 115.8(9) . .
C10 N2 Yb1 122.2(6) . .
C6 N2 Yb1 121.8(7) . .
N2 C6 C7 125.3(11) . .
C8 C7 C6 118.2(11) . .
C9 C8 C7 118.3(10) . .
C8 C9 C10 120.2(11) . .
N2 C10 C9 122.3(10) . .
C11 N3 C15 115.3(8) . .
C11 N3 Yb2 125.5(6) . .
C15 N3 Yb2 118.8(7) . .
N3 C11 C12 123.8(9) . .
C13 C12 C11 117.4(10) . .
C14 C13 C12 119.2(10) . .
C15 C14 C13 119.6(11) . .
N3 C15 C14 124.7(11) . .
C16 N4 C20 115.5(9) . .
C16 N4 Yb2 126.7(7) . .
C20 N4 Yb2 117.7(7) . .
N4 C16 C17 122.9(11) . .
C18 C17 C16 120.1(12) . .
C19 C18 C17 118.5(12) . .
C20 C19 C18 119.4(12) . .
C19 C20 N4 123.2(10) . .
C21 Se4 Yb2 106.5(3) . .
C22 C21 C26 119.5(13) . .
C22 C21 Se4 121.6(10) . .
C26 C21 Se4 119.0(9) . .
C21 C22 C23 124.0(14) . .
C24 C23 C22 114.8(14) . .
C25 C24 C23 125.3(15) . .
C24 C25 C26 116.1(15) . .
C21 C26 C25 120.3(13) . .
Se6B Se4B Yb2 103.0(10) . .
C21B Se6B Se4B 102(6) . .
C22B C21B C26B 120.00(13) . .
C22B C21B Se6B 127(10) . .
C26B C21B Se6B 112(10) . .
C21B C22B C23B 120.00(6) . .
C24B C23B C22B 120.0(2) . .
C25B C24B C23B 120.00(13) . .
C24B C25B C26B 120.00(5) . .
C25B C26B C21B 120.0(2) . .
C27 Se5 Cd1 100.3(3) . .
C28 C27 C32 117.0(10) . .
C28 C27 Se5 123.5(9) . .
C32 C27 Se5 119.4(8) . .
C27 C28 C29 123.8(12) . .
C28 C29 C30 119.6(12) . .
C29 C30 C31 119.2(12) . .
C32 C31 C30 118.7(11) . .
C31 C32 C27 121.7(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 Se5 2.5490(13) .
Cd1 Se3 2.6187(12) .
Cd1 Se1 2.6592(11) .
Cd1 Se2 2.7622(11) .
Yb1 N2 2.408(7) .
Yb1 N1 2.440(8) .
Yb1 Se3 2.7716(10) 3_566
Yb1 Se1 2.7786(10) .
Yb1 Se2 2.8110(10) .
Yb1 Se2 2.8169(10) 3_566
Yb2 N4 2.435(9) .
Yb2 N3 2.494(8) .
Yb2 Se4B 2.72(2) .
Yb2 Se1 2.7508(11) .
Yb2 Se3 2.7816(10) .
Yb2 Se4 2.8129(12) .
Yb2 Se2 2.8333(10) 3_566
Se2 Yb1 2.8169(10) 3_566
Se2 Yb2 2.8333(10) 3_566
Se3 Yb1 2.7716(10) 3_566
N1 C5 1.334(12) .
N1 C1 1.348(12) .
C1 C2 1.371(15) .
C2 C3 1.378(16) .
C3 C4 1.371(16) .
C4 C5 1.371(15) .
N2 C10 1.340(13) .
N2 C6 1.350(12) .
C6 C7 1.381(14) .
C7 C8 1.375(16) .
C8 C9 1.375(16) .
C9 C10 1.404(13) .
N3 C11 1.342(12) .
N3 C15 1.345(12) .
C11 C12 1.409(13) .
C12 C13 1.370(15) .
C13 C14 1.365(15) .
C14 C15 1.347(14) .
N4 C16 1.334(13) .
N4 C20 1.363(12) .
C16 C17 1.359(16) .
C17 C18 1.355(18) .
C18 C19 1.352(16) .
C19 C20 1.351(14) .
Se4 C21 1.950(12) .
C21 C22 1.352(15) .
C21 C26 1.363(16) .
C22 C23 1.387(18) .
C23 C24 1.38(2) .
C24 C25 1.36(2) .
C25 C26 1.44(2) .
Se4B Se6B 2.38(3) .
Se6B C21B 2.09(15) .
C21B C22B 1.390(2) .
C21B C26B 1.3900 .
C22B C23B 1.3900(17) .
C23B C24B 1.3900 .
C24B C25B 1.3900(17) .
C25B C26B 1.3900(15) .
Se5 C27 1.910(10) .
C27 C28 1.356(14) .
C27 C32 1.398(14) .
C28 C29 1.358(17) .
C29 C30 1.371(17) .
C30 C31 1.420(16) .
C31 C32 1.374(15) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Se5 Cd1 Se1 Yb2 -145.59(4) . .
Se3 Cd1 Se1 Yb2 0.00(3) . .
Se2 Cd1 Se1 Yb2 99.49(3) . .
Se5 Cd1 Se1 Yb1 120.67(4) . .
Se3 Cd1 Se1 Yb1 -93.74(3) . .
Se2 Cd1 Se1 Yb1 5.74(3) . .
N4 Yb2 Se1 Cd1 -136.5(11) . .
N3 Yb2 Se1 Cd1 -177.17(19) . .
Se4B Yb2 Se1 Cd1 89.3(5) . .
Se3 Yb2 Se1 Cd1 0.00(3) . .
Se4 Yb2 Se1 Cd1 92.31(3) . .
Se2 Yb2 Se1 Cd1 -89.33(3) 3_566 .
N4 Yb2 Se1 Yb1 -53.6(11) . .
N3 Yb2 Se1 Yb1 -94.18(19) . .
Se4B Yb2 Se1 Yb1 172.3(5) . .
Se3 Yb2 Se1 Yb1 82.99(3) . .
Se4 Yb2 Se1 Yb1 175.30(3) . .
Se2 Yb2 Se1 Yb1 -6.34(3) 3_566 .
N2 Yb1 Se1 Cd1 -179.7(2) . .
N1 Yb1 Se1 Cd1 -93.85(19) . .
Se3 Yb1 Se1 Cd1 -179(39) 3_566 .
Se2 Yb1 Se1 Cd1 -5.59(3) . .
Se2 Yb1 Se1 Cd1 85.83(3) 3_566 .
N2 Yb1 Se1 Yb2 100.9(2) . .
N1 Yb1 Se1 Yb2 -173.30(18) . .
Se3 Yb1 Se1 Yb2 102.0(3) 3_566 .
Se2 Yb1 Se1 Yb2 -85.04(3) . .
Se2 Yb1 Se1 Yb2 6.38(3) 3_566 .
Se5 Cd1 Se2 Yb1 -124.65(4) . .
Se3 Cd1 Se2 Yb1 99.10(3) . .
Se1 Cd1 Se2 Yb1 -5.71(3) . .
Se5 Cd1 Se2 Yb1 145.83(4) . 3_566
Se3 Cd1 Se2 Yb1 9.59(3) . 3_566
Se1 Cd1 Se2 Yb1 -95.22(3) . 3_566
Se5 Cd1 Se2 Yb2 -160.58(18) . 3_566
Se3 Cd1 Se2 Yb2 63.18(19) . 3_566
Se1 Cd1 Se2 Yb2 -41.6(2) . 3_566
N2 Yb1 Se2 Cd1 119.2(18) . .
N1 Yb1 Se2 Cd1 95.71(19) . .
Se3 Yb1 Se2 Cd1 -175.28(3) 3_566 .
Se1 Yb1 Se2 Cd1 5.41(3) . .
Se2 Yb1 Se2 Cd1 -83.02(3) 3_566 .
N2 Yb1 Se2 Yb1 -157.8(18) . 3_566
N1 Yb1 Se2 Yb1 178.73(19) . 3_566
Se3 Yb1 Se2 Yb1 -92.27(3) 3_566 3_566
Se1 Yb1 Se2 Yb1 88.43(3) . 3_566
Se2 Yb1 Se2 Yb1 0.0 3_566 3_566
N2 Yb1 Se2 Yb2 -67.8(18) . 3_566
N1 Yb1 Se2 Yb2 -91.26(19) . 3_566
Se3 Yb1 Se2 Yb2 -2.25(3) 3_566 3_566
Se1 Yb1 Se2 Yb2 178.44(3) . 3_566
Se2 Yb1 Se2 Yb2 90.02(3) 3_566 3_566
Se5 Cd1 Se3 Yb1 -130.77(5) . 3_566
Se1 Cd1 Se3 Yb1 91.70(3) . 3_566
Se2 Cd1 Se3 Yb1 -9.69(3) . 3_566
Se5 Cd1 Se3 Yb2 137.52(5) . .
Se1 Cd1 Se3 Yb2 0.00(3) . .
Se2 Cd1 Se3 Yb2 -101.39(3) . .
N4 Yb2 Se3 Cd1 172.89(19) . .
N3 Yb2 Se3 Cd1 146(2) . .
Se4B Yb2 Se3 Cd1 -77.8(6) . .
Se1 Yb2 Se3 Cd1 0.00(3) . .
Se4 Yb2 Se3 Cd1 -93.30(4) . .
Se2 Yb2 Se3 Cd1 88.44(3) 3_566 .
N4 Yb2 Se3 Yb1 86.72(19) . 3_566
N3 Yb2 Se3 Yb1 60(2) . 3_566
Se4B Yb2 Se3 Yb1 -163.9(6) . 3_566
Se1 Yb2 Se3 Yb1 -86.16(3) . 3_566
Se4 Yb2 Se3 Yb1 -179.47(4) . 3_566
Se2 Yb2 Se3 Yb1 2.27(3) 3_566 3_566
N2 Yb1 N1 C5 -58.6(8) . .
Se3 Yb1 N1 C5 28.6(7) 3_566 .
Se1 Yb1 N1 C5 -145.8(7) . .
Se2 Yb1 N1 C5 118.8(7) . .
Se2 Yb1 N1 C5 -160(8) 3_566 .
N2 Yb1 N1 C1 129.1(7) . .
Se3 Yb1 N1 C1 -143.7(7) 3_566 .
Se1 Yb1 N1 C1 41.9(7) . .
Se2 Yb1 N1 C1 -53.5(7) . .
Se2 Yb1 N1 C1 28(9) 3_566 .
C5 N1 C1 C2 -0.2(14) . .
Yb1 N1 C1 C2 172.5(8) . .
N1 C1 C2 C3 -1.4(16) . .
C1 C2 C3 C4 2.6(17) . .
C2 C3 C4 C5 -2.0(18) . .
C1 N1 C5 C4 0.9(15) . .
Yb1 N1 C5 C4 -171.7(8) . .
C3 C4 C5 N1 0.2(18) . .
N1 Yb1 N2 C10 144.0(8) . .
Se3 Yb1 N2 C10 54.8(8) 3_566 .
Se1 Yb1 N2 C10 -125.3(8) . .
Se2 Yb1 N2 C10 120.5(17) . .
Se2 Yb1 N2 C10 -37.2(8) 3_566 .
N1 Yb1 N2 C6 -40.4(8) . .
Se3 Yb1 N2 C6 -129.6(8) 3_566 .
Se1 Yb1 N2 C6 50.3(8) . .
Se2 Yb1 N2 C6 -64(2) . .
Se2 Yb1 N2 C6 138.3(8) 3_566 .
C10 N2 C6 C7 -0.3(16) . .
Yb1 N2 C6 C7 -176.1(8) . .
N2 C6 C7 C8 1.7(17) . .
C6 C7 C8 C9 -1.2(17) . .
C7 C8 C9 C10 -0.5(17) . .
C6 N2 C10 C9 -1.6(16) . .
Yb1 N2 C10 C9 174.2(8) . .
C8 C9 C10 N2 2.0(18) . .
N4 Yb2 N3 C11 -78.8(8) . .
Se4B Yb2 N3 C11 172.0(10) . .
Se1 Yb2 N3 C11 94.5(8) . .
Se3 Yb2 N3 C11 -51(3) . .
Se4 Yb2 N3 C11 -172.5(8) . .
Se2 Yb2 N3 C11 5.8(8) 3_566 .
N4 Yb2 N3 C15 109.8(8) . .
Se4B Yb2 N3 C15 0.7(10) . .
Se1 Yb2 N3 C15 -76.9(8) . .
Se3 Yb2 N3 C15 137(2) . .
Se4 Yb2 N3 C15 16.1(8) . .
Se2 Yb2 N3 C15 -165.5(8) 3_566 .
C15 N3 C11 C12 0.0(16) . .
Yb2 N3 C11 C12 -171.6(8) . .
N3 C11 C12 C13 2.0(17) . .
C11 C12 C13 C14 -4.1(18) . .
C12 C13 C14 C15 4(2) . .
C11 N3 C15 C14 0.1(18) . .
Yb2 N3 C15 C14 172.4(10) . .
C13 C14 C15 N3 -2(2) . .
N3 Yb2 N4 C16 44.1(9) . .
Se4B Yb2 N4 C16 135.3(10) . .
Se1 Yb2 N4 C16 3.4(18) . .
Se3 Yb2 N4 C16 -133.6(9) . .
Se4 Yb2 N4 C16 134.4(9) . .
Se2 Yb2 N4 C16 -44.1(9) 3_566 .
N3 Yb2 N4 C20 -133.6(7) . .
Se4B Yb2 N4 C20 -42.4(9) . .
Se1 Yb2 N4 C20 -174.4(7) . .
Se3 Yb2 N4 C20 48.7(7) . .
Se4 Yb2 N4 C20 -43.3(7) . .
Se2 Yb2 N4 C20 138.2(7) 3_566 .
C20 N4 C16 C17 3.6(17) . .
Yb2 N4 C16 C17 -174.1(11) . .
N4 C16 C17 C18 -2(2) . .
C16 C17 C18 C19 2(3) . .
C17 C18 C19 C20 -4(2) . .
C18 C19 C20 N4 6.8(19) . .
C16 N4 C20 C19 -6.3(15) . .
Yb2 N4 C20 C19 171.7(9) . .
N4 Yb2 Se4 C21 -7.5(4) . .
N3 Yb2 Se4 C21 77.4(4) . .
Se4B Yb2 Se4 C21 175.6(18) . .
Se1 Yb2 Se4 C21 164.7(3) . .
Se3 Yb2 Se4 C21 -98.3(3) . .
Se2 Yb2 Se4 C21 31.4(10) 3_566 .
Yb2 Se4 C21 C22 -70.9(9) . .
Yb2 Se4 C21 C26 108.8(9) . .
C26 C21 C22 C23 1.8(18) . .
Se4 C21 C22 C23 -178.5(10) . .
C21 C22 C23 C24 -1(2) . .
C22 C23 C24 C25 -2(2) . .
C23 C24 C25 C26 4(2) . .
C22 C21 C26 C25 0.0(19) . .
Se4 C21 C26 C25 -179.7(11) . .
C24 C25 C26 C21 -3(2) . .
N4 Yb2 Se4B Se6B 34.0(11) . .
N3 Yb2 Se4B Se6B 119.5(9) . .
Se1 Yb2 Se4B Se6B -153.9(10) . .
Se3 Yb2 Se4B Se6B -57.0(9) . .
Se4 Yb2 Se4B Se6B 37.2(14) . .
Se2 Yb2 Se4B Se6B -148.3(15) 3_566 .
Yb2 Se4B Se6B C21B -83(6) . .
Se4B Se6B C21B C22B -7(16) . .
Se4B Se6B C21B C26B 163(9) . .
C26B C21B C22B C23B 0.0 . .
Se6B C21B C22B C23B 170(16) . .
C21B C22B C23B C24B 0.0 . .
C22B C23B C24B C25B 0.0 . .
C23B C24B C25B C26B 0.0 . .
C24B C25B C26B C21B 0.0 . .
C22B C21B C26B C25B 0.0 . .
Se6B C21B C26B C25B -171(14) . .
Se3 Cd1 Se5 C27 87.4(4) . .
Se1 Cd1 Se5 C27 -138.5(4) . .
Se2 Cd1 Se5 C27 -29.0(4) . .
Cd1 Se5 C27 C28 -77.4(8) . .
Cd1 Se5 C27 C32 106.3(7) . .
C32 C27 C28 C29 -0.4(16) . .
Se5 C27 C28 C29 -176.7(9) . .
C27 C28 C29 C30 0.3(18) . .
C28 C29 C30 C31 -0.1(18) . .
C29 C30 C31 C32 -0.1(18) . .
C30 C31 C32 C27 0.0(17) . .
C28 C27 C32 C31 0.2(15) . .
Se5 C27 C32 C31 176.7(8) . .
