#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/30/7223005.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_7223005
loop_
_publ_author_name
'Li, Bing'
'Li, Hongfeng'
'Chen, Peng'
'Sun, Wenbin'
'Wang, Cheng'
'Gao, Ting'
'Yan, Pengfei'
_publ_section_title
;
 Enhancement of near-infrared luminescence of ytterbium in triple-stranded
 binuclear helicates.
;
_journal_issue                   45
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              30510
_journal_page_last               30517
_journal_paper_doi               10.1039/c5cp05888k
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C60 H54 F18 O18 S12 Yb2'
_chemical_formula_weight         2135.83
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2013-07-01 deposited with the CCDC.
2015-10-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 98.582(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   41.711(6)
_cell_length_b                   11.8124(17)
_cell_length_c                   16.553(2)
_cell_measurement_reflns_used    4308
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.35
_cell_measurement_theta_min      2.22
_cell_volume                     8064.5(19)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX-II (Bruker, 2009)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    DIAMOND
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_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  0.0747
_diffrn_reflns_av_sigmaI/netI    0.0889
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29242
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    2.719
_exptl_absorpt_correction_T_max  0.613
_exptl_absorpt_correction_T_min  0.586
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4208
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.881
_refine_diff_density_min         -1.734
_refine_diff_density_rms         0.197
_refine_ls_extinction_coef       0.00018(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         10033
_refine_ls_number_restraints     150
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.1101
_refine_ls_R_factor_gt           0.0646
_refine_ls_shift/su_max          0.074
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1052P)²+1.0814P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1614
_refine_ls_wR_factor_ref         0.1909
_reflns_number_gt                6395
_reflns_number_total             10033
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cp05888k2.cif
_cod_data_source_block           c
_cod_depositor_comments
'Adding full bibliography for 7223005--7223006.cif.'
_cod_original_cell_volume        8064(2)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7223005
#BEGIN Tags that were not found in dictionaries:
_refine_instructions_details
;
dfix commands have been used to define the distances of S and C atoms in 
the reasonable ranges; eadp commands have been used to define the disorder
parts of the F atoms attached to the F-C bonds and the terminal
 C atoms; isor commands have been used
to define the elongate elipsoid patermeters in the reasonable range.
;
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Yb1 Yb 0.154312(8) 0.59255(3) 0.880061(19) 0.03548(14) Uani 1 1 d . B .
C1 C 0.1061(2) 0.3984(7) 0.7821(5) 0.0389(18) Uani 1 1 d . B .
C2 C 0.1210(2) 0.3053(8) 0.8256(6) 0.053(2) Uani 1 1 d . . .
H2A H 0.1121 0.2337 0.8152 0.064 Uiso 1 1 calc R . .
C3 C 0.1482(2) 0.3166(8) 0.8826(6) 0.054(2) Uani 1 1 d . . .
C4 C 0.1452(3) 0.8287(10) 1.0927(7) 0.064(3) Uani 1 1 d . . .
C5 C 0.01782(18) 0.8905(6) 0.7503(6) 0.0424(19) Uani 1 1 d . . .
C6 C 0.1032(2) 0.6977(7) 1.0274(5) 0.046(2) Uani 1 1 d . . .
H6A H 0.0891 0.7358 1.0563 0.055 Uiso 1 1 calc R . .
C7 C 0.0749(2) 0.3882(7) 0.7307(5) 0.0421(19) Uani 1 1 d . . .
C8 C 0.0677(2) 0.9600(8) 0.7343(7) 0.062(3) Uani 1 1 d . . .
H8A H 0.0823 1.0127 0.7194 0.074 Uiso 1 1 calc R . .
C9 C 0.0234(2) 0.3361(8) 0.6738(6) 0.052(2) Uani 1 1 d . . .
H9A H 0.0059 0.2872 0.6602 0.063 Uiso 1 1 calc R . .
C10 C 0.0015(2) 0.6140(7) 0.9324(5) 0.044(2) Uani 1 1 d . . .
H10A H -0.0180 0.6515 0.9343 0.052 Uiso 1 1 calc R . .
C11 C 0.02275(19) 0.4483(7) 0.6512(5) 0.0404(18) Uani 1 1 d . . .
C12 C 0.0036(2) 0.5141(7) 0.8929(5) 0.0428(19) Uani 1 1 d . . .
C13 C 0.0313(2) 0.6547(7) 0.9696(5) 0.0432(19) Uani 1 1 d . . .
H13A H 0.0337 0.7219 0.9991 0.052 Uiso 1 1 calc R . .
C14 C 0.1674(2) 0.8358(8) 0.7969(5) 0.046(2) Uani 1 1 d . B .
C15 C 0.07708(18) 0.8549(7) 0.7682(5) 0.0387(17) Uani 1 1 d . . .
C16 C 0.1944(3) 0.9015(11) 0.7672(9) 0.078(4) Uani 1 1 d . . .
C17 C 0.0528(2) 0.3026(7) 0.7192(5) 0.048(2) Uani 1 1 d . . .
H17A H 0.0569 0.2297 0.7395 0.057 Uiso 1 1 calc R . .
C18 C 0.0914(2) 0.6052(7) 0.9758(5) 0.0394(18) Uani 1 1 d . B .
C19 C 0.05698(19) 0.5851(7) 0.9583(4) 0.0367(17) Uani 1 1 d . . .
C20 C 0.10910(17) 0.8070(7) 0.7905(5) 0.0374(17) Uani 1 1 d . B .
C21 C 0.2543(8) 0.662(2) 0.893(2) 0.299(17) Uani 1 1 d DU . .
H21A H 0.2773 0.6499 0.9007 0.449 Uiso 1 1 calc R . .
H21B H 0.2489 0.7143 0.9332 0.449 Uiso 1 1 calc R . .
H21C H 0.2473 0.6916 0.8394 0.449 Uiso 1 1 calc R . .
C22 C 0.2630(7) 0.475(3) 0.9732(18) 0.276(16) Uani 1 1 d DU . .
H22A H 0.2831 0.4666 0.9525 0.414 Uiso 1 1 calc R . .
H22B H 0.2547 0.4020 0.9845 0.414 Uiso 1 1 calc R . .
H22C H 0.2664 0.5191 1.0225 0.414 Uiso 1 1 calc R . .
C23 C 0.0346(2) 0.9789(8) 0.7249(8) 0.069(3) Uani 1 1 d . . .
H23A H 0.0248 1.0453 0.7033 0.083 Uiso 1 1 calc R . .
C24 C 0.1360(2) 0.8642(8) 0.7674(6) 0.050(2) Uani 1 1 d . . .
H24A H 0.1323 0.9238 0.7305 0.061 Uiso 1 1 calc R B .
C25 C 0.1346(2) 0.7310(7) 1.0352(5) 0.0430(19) Uani 1 1 d . B .
C26 C 0.1640(4) 0.2062(11) 0.9191(9) 0.085(4) Uani 1 1 d . . .
C27 C 0.1478(4) 0.5885(13) 0.6233(9) 0.109(5) Uani 1 1 d . . .
H27A H 0.1271 0.6003 0.6408 0.163 Uiso 1 1 calc R . .
H27B H 0.1447 0.5581 0.5689 0.163 Uiso 1 1 calc R . .
H27C H 0.1591 0.6593 0.6239 0.163 Uiso 1 1 calc R . .
C28 C 0.2050(4) 0.4938(15) 0.6430(11) 0.129(6) Uani 1 1 d U . .
H28A H 0.2205 0.4428 0.6724 0.194 Uiso 1 1 calc R . .
H28B H 0.2141 0.5686 0.6443 0.194 Uiso 1 1 calc R . .
H28C H 0.1999 0.4691 0.5873 0.194 Uiso 1 1 calc R . .
O1 O 0.16333(15) 0.4029(5) 0.9094(4) 0.0492(15) Uani 1 1 d . . .
O2 O 0.11184(13) 0.7166(5) 0.8301(3) 0.0422(13) Uani 1 1 d . . .
O3 O 0.20758(15) 0.5771(5) 0.9414(4) 0.0520(16) Uani 1 1 d . . .
O4 O 0.11003(13) 0.5412(5) 0.9438(3) 0.0405(12) Uani 1 1 d . . .
O5 O 0.11875(14) 0.4960(5) 0.7859(3) 0.0446(14) Uani 1 1 d . . .
O6 O 0.17750(13) 0.7586(6) 0.8439(4) 0.0552(16) Uani 1 1 d . . .
O7 O 0.15748(13) 0.6926(6) 0.9999(3) 0.0499(15) Uani 1 1 d . . .
O8 O 0.18035(16) 0.5589(7) 0.7674(4) 0.070(2) Uani 1 1 d . . .
O9 O 0.0210(4) 1.1520(12) 0.9327(10) 0.181(6) Uani 1 1 d U . .
F1 F 0.1934(2) 0.1946(8) 0.9020(8) 0.154(4) Uani 1 1 d U . .
F2 F 0.1672(3) 0.2063(7) 0.9980(6) 0.166(5) Uani 1 1 d U . .
F3 F 0.1486(3) 0.1144(7) 0.8955(7) 0.140(4) Uani 1 1 d U . .
F4 F 0.17050(19) 0.7993(7) 1.1480(5) 0.107(3) Uani 1 1 d U . .
F5 F 0.12317(18) 0.8654(7) 1.1357(5) 0.107(3) Uani 1 1 d U . .
F6 F 0.1552(3) 0.9142(6) 1.0560(6) 0.118(3) Uani 1 1 d U . .
S1 S 0.04283(5) 0.78074(17) 0.78364(13) 0.0407(5) Uani 1 1 d . . .
S2 S 0.04292(5) 0.46899(19) 0.90009(13) 0.0433(5) Uani 1 1 d . . .
S3 S 0.05898(5) 0.51234(18) 0.68564(13) 0.0424(5) Uani 1 1 d . . .
S4 S 0.17007(7) 0.4956(3) 0.68799(16) 0.0711(8) Uani 1 1 d . B .
S5 S 0.23604(10) 0.5418(4) 0.9031(3) 0.1110(12) Uani 1 1 d DU B .
S6 S 0.0559(2) 1.1225(6) 0.9397(4) 0.119(2) Uani 0.708(8) 1 d PDU A 1
C29 C 0.0807(7) 1.188(3) 1.020(2) 0.129(6) Uani 0.708(8) 1 d PDU A 1
H29A H 0.0839 1.2653 1.0060 0.194 Uiso 0.708(8) 1 calc PR A 1
H29B H 0.1013 1.1496 1.0288 0.194 Uiso 0.708(8) 1 calc PR A 1
H29C H 0.0707 1.1836 1.0681 0.194 Uiso 0.708(8) 1 calc PR A 1
C30 C 0.0500(7) 0.977(2) 0.9867(17) 0.129(6) Uani 0.708(8) 1 d PDU A 1
H30A H 0.0395 0.9268 0.9452 0.194 Uiso 0.708(8) 1 calc PR A 1
H30B H 0.0369 0.9845 1.0292 0.194 Uiso 0.708(8) 1 calc PR A 1
H30C H 0.0708 0.9460 1.0091 0.194 Uiso 0.708(8) 1 calc PR A 1
S6' S 0.0386(5) 1.1107(13) 1.0002(11) 0.119(2) Uani 0.292(8) 1 d PDU A 2
C29' C 0.0681(19) 1.170(7) 1.025(5) 0.129(6) Uani 0.292(8) 1 d PDU A 2
H29D H 0.0634 1.2459 1.0401 0.194 Uiso 0.292(8) 1 calc PR A 2
H29E H 0.0806 1.1716 0.9808 0.194 Uiso 0.292(8) 1 calc PR A 2
H29F H 0.0802 1.1321 1.0711 0.194 Uiso 0.292(8) 1 calc PR A 2
C30' C 0.0651(17) 0.992(6) 0.962(4) 0.129(6) Uani 0.292(8) 1 d PDU A 2
H30D H 0.0515 0.9298 0.9411 0.194 Uiso 0.292(8) 1 calc PR A 2
H30E H 0.0807 0.9657 1.0071 0.194 Uiso 0.292(8) 1 calc PR A 2
H30F H 0.0763 1.0210 0.9201 0.194 Uiso 0.292(8) 1 calc PR A 2
F9' F 0.1873(7) 0.919(3) 0.679(2) 0.112(3) Uani 0.312(10) 1 d PU B 1
F8' F 0.1910(7) 1.021(3) 0.774(2) 0.112(3) Uani 0.312(10) 1 d PU B 1
F7' F 0.2234(7) 0.863(3) 0.773(2) 0.112(3) Uani 0.312(10) 1 d PU B 1
F7 F 0.2149(3) 0.9446(12) 0.8315(9) 0.112(3) Uani 0.688(10) 1 d PU B 2
F8 F 0.1857(3) 0.9926(14) 0.7251(10) 0.112(3) Uani 0.688(10) 1 d PU B 2
F9 F 0.2112(3) 0.8408(13) 0.7235(10) 0.112(3) Uani 0.688(10) 1 d PU B 2
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'
S S 0.1246 0.1234 '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'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
O5 Yb1 O7 142.4(2) . .
O5 Yb1 O6 120.1(2) . .
O7 Yb1 O6 79.3(2) . .
O5 Yb1 O3 138.0(2) . .
O7 Yb1 O3 74.5(2) . .
O6 Yb1 O3 76.6(2) . .
O5 Yb1 O1 74.3(2) . .
O7 Yb1 O1 109.3(2) . .
O6 Yb1 O1 144.9(2) . .
O3 Yb1 O1 73.5(2) . .
O5 Yb1 O8 72.6(2) . .
O7 Yb1 O8 143.7(2) . .
O6 Yb1 O8 70.9(3) . .
O3 Yb1 O8 78.8(2) . .
O1 Yb1 O8 85.5(3) . .
O5 Yb1 O4 72.7(2) . .
O7 Yb1 O4 72.03(19) . .
O6 Yb1 O4 136.7(2) . .
O3 Yb1 O4 123.6(2) . .
O1 Yb1 O4 76.6(2) . .
O8 Yb1 O4 144.2(2) . .
O5 Yb1 O2 72.2(2) . .
O7 Yb1 O2 85.8(2) . .
O6 Yb1 O2 72.65(19) . .
O3 Yb1 O2 146.0(2) . .
O1 Yb1 O2 140.2(2) . .
O8 Yb1 O2 104.0(2) . .
O4 Yb1 O2 73.53(19) . .
O5 Yb1 S5 121.44(17) . .
O7 Yb1 S5 93.76(16) . .
O6 Yb1 S5 74.26(17) . .
O3 Yb1 S5 20.06(17) . .
O1 Yb1 S5 71.28(18) . .
O8 Yb1 S5 58.94(19) . .
O4 Yb1 S5 138.04(16) . .
O2 Yb1 S5 146.39(15) . .
O5 C1 C2 122.5(8) . .
O5 C1 C7 115.8(7) . .
C2 C1 C7 121.7(8) . .
C3 C2 C1 122.3(9) . .
O1 C3 C2 130.4(9) . .
O1 C3 C26 112.9(9) . .
C2 C3 C26 116.6(10) . .
F6 C4 F5 107.4(10) . .
F6 C4 F4 104.6(10) . .
F5 C4 F4 105.0(10) . .
F6 C4 C25 112.7(9) . .
F5 C4 C25 115.3(8) . .
F4 C4 C25 111.0(9) . .
C23 C5 C5 124.0(6) . 2_556
C23 C5 S1 111.5(6) . .
C5 C5 S1 124.5(4) 2_556 .
C25 C6 C18 121.5(7) . .
C17 C7 C1 132.3(8) . .
C17 C7 S3 111.1(7) . .
C1 C7 S3 115.8(6) . .
C23 C8 C15 113.9(8) . .
C11 C9 C17 113.5(8) . .
C12 C10 C13 113.4(8) . .
C9 C11 C12 129.4(8) . 2_556
C9 C11 S3 110.8(6) . .
C12 C11 S3 119.8(7) 2_556 .
C10 C12 C11 127.5(8) . 2_556
C10 C12 S2 111.5(7) . .
C11 C12 S2 121.0(6) 2_556 .
C19 C13 C10 113.2(8) . .
O6 C14 C24 128.9(8) . .
O6 C14 C16 112.6(8) . .
C24 C14 C16 118.5(8) . .
C8 C15 C20 130.1(7) . .
C8 C15 S1 108.8(6) . .
C20 C15 S1 121.1(6) . .
F7' C16 F9 42.3(16) . .
F7' C16 F8 121.1(16) . .
F9 C16 F8 106.8(13) . .
F7' C16 F7 66.5(18) . .
F9 C16 F7 108.2(12) . .
F8 C16 F7 101.6(14) . .
F7' C16 F8' 117(2) . .
F9 C16 F8' 131.0(15) . .
F8 C16 F8' 36.7(13) . .
F7 C16 F8' 68.2(16) . .
F7' C16 F9' 100(2) . .
F9 C16 F9' 64.2(16) . .
F8 C16 F9' 49.5(13) . .
F7 C16 F9' 137.5(14) . .
F8' C16 F9' 85.7(18) . .
F7' C16 C14 122.3(16) . .
F9 C16 C14 112.9(12) . .
F8 C16 C14 115.9(10) . .
F7 C16 C14 110.6(11) . .
F8' C16 C14 113.6(15) . .
F9' C16 C14 110.5(14) . .
C7 C17 C9 112.8(8) . .
O4 C18 C6 122.3(8) . .
O4 C18 C19 118.4(7) . .
C6 C18 C19 119.4(7) . .
C13 C19 C18 130.0(8) . .
C13 C19 S2 109.9(6) . .
C18 C19 S2 119.2(6) . .
O2 C20 C24 122.5(7) . .
O2 C20 C15 118.5(7) . .
C24 C20 C15 119.0(7) . .
C5 C23 C8 113.1(8) . .
C14 C24 C20 122.8(8) . .
O7 C25 C6 129.2(8) . .
O7 C25 C4 112.9(8) . .
C6 C25 C4 117.9(7) . .
F3 C26 F2 106.1(14) . .
F3 C26 F1 106.7(12) . .
F2 C26 F1 105.0(13) . .
F3 C26 C3 115.4(11) . .
F2 C26 C3 111.7(10) . .
F1 C26 C3 111.3(12) . .
C3 O1 Yb1 131.4(6) . .
C20 O2 Yb1 136.3(5) . .
S5 O3 Yb1 127.8(4) . .
C18 O4 Yb1 127.8(5) . .
C1 O5 Yb1 135.3(5) . .
C14 O6 Yb1 132.5(6) . .
C25 O7 Yb1 128.9(5) . .
S4 O8 Yb1 132.3(4) . .
S6' O9 S6 55.7(11) . .
C5 S1 C15 92.6(4) . .
C12 S2 C19 91.9(4) . .
C11 S3 C7 91.9(4) . .
O8 S4 C27 106.5(6) . .
O8 S4 C28 103.4(7) . .
C27 S4 C28 98.7(8) . .
O3 S5 C21 102.4(14) . .
O3 S5 C22 109.3(13) . .
C21 S5 C22 101.7(17) . .
O3 S5 Yb1 32.2(3) . .
C21 S5 Yb1 107.9(13) . .
C22 S5 Yb1 135.1(12) . .
O9 S6 C29 115.0(14) . .
O9 S6 C30 93.3(11) . .
C29 S6 C30 100.8(15) . .
O9 S6' C29' 114(4) . .
O9 S6' C30' 105(3) . .
C29' S6' C30' 87(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O5 2.290(6) .
Yb1 O7 2.295(6) .
Yb1 O6 2.305(6) .
Yb1 O3 2.308(6) .
Yb1 O1 2.311(6) .
Yb1 O8 2.328(6) .
Yb1 O4 2.340(5) .
Yb1 O2 2.352(5) .
Yb1 S5 3.426(4) .
C1 O5 1.265(9) .
C1 C2 1.407(12) .
C1 C7 1.449(12) .
C2 C3 1.370(13) .
C3 O1 1.244(12) .
C3 C26 1.542(15) .
C4 F6 1.280(13) .
C4 F5 1.317(11) .
C4 F4 1.335(13) .
C4 C25 1.519(13) .
C5 C23 1.358(12) .
C5 C5 1.485(15) 2_556
C5 S1 1.704(8) .
C6 C25 1.353(11) .
C6 C18 1.428(12) .
C7 C17 1.362(12) .
C7 S3 1.732(9) .
C8 C23 1.383(12) .
C8 C15 1.395(12) .
C9 C11 1.377(13) .
C9 C17 1.397(12) .
C10 C12 1.358(12) .
C10 C13 1.387(12) .
C11 C12 1.451(12) 2_556
C11 S3 1.710(8) .
C12 C11 1.451(12) 2_556
C12 S2 1.712(8) .
C13 C19 1.386(11) .
C14 O6 1.231(10) .
C14 C24 1.368(12) .
C14 C16 1.509(13) .
C15 C20 1.447(10) .
C15 S1 1.727(8) .
C16 F7' 1.29(4) .
C16 F9 1.298(19) .
C16 F8 1.304(18) .
C16 F7 1.362(18) .
C16 F8' 1.42(4) .
C16 F9' 1.47(4) .
C18 O4 1.256(9) .
C18 C19 1.443(11) .
C19 S2 1.727(8) .
C20 O2 1.249(9) .
C20 C24 1.411(11) .
C21 S5 1.627(18) .
C22 S5 1.684(18) .
C25 O7 1.275(9) .
C26 F3 1.291(16) .
C26 F2 1.293(15) .
C26 F1 1.305(16) .
C27 S4 1.708(15) .
C28 S4 1.735(17) .
O3 S5 1.486(7) .
O8 S4 1.518(7) .
O9 S6' 1.336(19) .
O9 S6 1.488(16) .
S6 C29 1.73(3) .
S6 C30 1.92(3) .
S6' C29' 1.42(7) .
S6' C30' 1.95(7) .
