#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:31:43 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178815 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/69/4106926.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_4106926
loop_
_publ_author_name
'Jean-François Lemonnier'
'Laure Guénée'
'César Beuchat'
'Tomasz A. Wesolowski'
'Prasun Mukherjee'
'David H. Waldeck'
'Kristy A. Gogick'
'Stéphane Petoud'
'Claude Piguet'
_publ_contact_author_address
;Department of inorganic, analytic and applied chemistry 
University of Geneva, Sciences II 
30 quai Ernest-Ansermet 
CH-1211 Genève 4 
;
_publ_contact_author_email       claude.Piguet@unige.ch
_publ_contact_author_fax         '+41 (0)22 379 68 30 '
_publ_contact_author_name        'Claude Piguet'
_publ_contact_author_phone       '+41 (0)22 379 60 34'
_publ_section_title
;
 Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide
 Oligomers: Selection of Rigid Aromatic Spacers
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16219
_journal_page_last               16234
_journal_paper_doi               10.1021/ja206806t
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C82 H48 F38 N10 O12 Yb2'
_chemical_formula_sum            'C82 H48 F38 N10 O12 Yb2'
_chemical_formula_weight         2433.38
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.816(5)
_cell_angle_beta                 93.852(5)
_cell_angle_gamma                103.810(5)
_cell_formula_units_Z            1
_cell_length_a                   12.5860(8)
_cell_length_b                   12.6093(8)
_cell_length_c                   14.5497(10)
_cell_measurement_reflns_used    30720
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.435
_cell_measurement_theta_min      1.58
_cell_volume                     2158.5(3)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'Diamond 3 (Crystal Impact'
_computing_publication_material  Shelxl_ACTA
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 6
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Stoe Ipds'
_diffrn_measurement_method       φ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0259
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23736
_diffrn_reflns_theta_full        28.02
_diffrn_reflns_theta_max         28.02
_diffrn_reflns_theta_min         1.68
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.303
_exptl_absorpt_correction_T_max  0.8325
_exptl_absorpt_correction_T_min  0.5400
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XRED; Stoe & Cie, 1999'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.872
_exptl_crystal_description       prism
_exptl_crystal_F_000             1188
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.447
_refine_diff_density_min         -1.237
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.318
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     672
_refine_ls_number_reflns         10270
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.500
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0309
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0530P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0857
_refine_ls_wR_factor_ref         0.0866
_reflns_number_gt                9723
_reflns_number_total             10270
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja206806t_si_002_3.cif
_cod_data_source_block           3
_cod_original_cell_volume        2158.5(2)
_cod_database_code               4106926
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 -0.321319(9) 0.132848(10) 0.766387(8) 0.02263(6) Uani 1 1 d . . .
O2 O -0.15100(19) 0.2464(2) 0.75734(17) 0.0287(4) Uani 1 1 d . . .
O1 O -0.2141(2) 0.0066(2) 0.72998(18) 0.0315(5) Uani 1 1 d . . .
O4 O -0.3036(2) 0.2953(2) 0.88978(17) 0.0309(5) Uani 1 1 d . . .
O3 O -0.1892(2) 0.1423(2) 0.90329(18) 0.0327(5) Uani 1 1 d . . .
O6 O -0.2868(2) 0.1081(2) 0.60071(17) 0.0328(5) Uani 1 1 d . . .
O5 O -0.4467(2) -0.0253(2) 0.67092(17) 0.0322(5) Uani 1 1 d . . .
F1 F -0.0086(2) 0.6607(2) 0.65837(19) 0.0511(6) Uani 1 1 d . . .
F4 F 0.0345(3) 0.3261(4) 0.6363(3) 0.0940(14) Uani 1 1 d . . .
F15 F -0.2562(4) 0.5206(3) 0.9059(3) 0.0963(14) Uani 1 1 d . . .
F16 F -0.4959(3) -0.2981(2) 0.5209(2) 0.0578(7) Uani 1 1 d . . .
F17 F -0.5038(3) -0.2455(2) 0.6709(2) 0.0588(7) Uani 1 1 d . . .
F9 F -0.0695(3) 0.1036(3) 1.0480(3) 0.0787(11) Uani 1 1 d . . .
F2 F 0.1260(2) 0.3244(3) 0.7648(3) 0.0695(9) Uani 1 1 d . . .
F18 F -0.6215(2) -0.2196(2) 0.5719(2) 0.0616(8) Uani 1 1 d . . .
F3 F 0.0110(3) 0.4231(3) 0.7684(4) 0.0833(12) Uani 1 1 d . . .
F12 F 0.0407(3) 0.1710(4) 0.9576(3) 0.0926(13) Uani 1 1 d . . .
F14 F -0.3143(5) 0.4898(3) 1.0307(5) 0.130(2) Uani 1 1 d . . .
F8 F 0.0237(3) 0.2758(3) 1.0909(3) 0.0734(10) Uani 1 1 d . . .
F13 F -0.1435(4) 0.5576(3) 1.0277(3) 0.0877(13) Uani 1 1 d . . .
F19 F -0.2995(3) 0.0165(4) 0.3709(2) 0.0788(10) Uani 1 1 d . . .
F20 F -0.1807(4) -0.0482(4) 0.4337(3) 0.0857(13) Uani 1 1 d . . .
F21 F -0.1660(3) 0.1308(3) 0.4665(3) 0.0821(12) Uani 1 1 d . . .
N4 N -0.3858(2) 0.2738(2) 0.7010(2) 0.0256(5) Uani 1 1 d . . .
N2 N -0.5691(2) -0.0996(2) 0.8930(2) 0.0280(5) Uani 1 1 d . . .
N1 N -0.4134(2) 0.0095(2) 0.86309(19) 0.0266(5) Uani 1 1 d . . .
N3 N -0.5115(2) 0.1502(2) 0.80059(18) 0.0247(5) Uani 1 1 d . . .
N5 N -0.4783(2) 0.4073(2) 0.7210(2) 0.0287(5) Uani 1 1 d . . .
C1 C -0.3901(3) -0.0840(3) 0.8865(2) 0.0276(6) Uani 1 1 d . . .
C2 C -0.2909(3) -0.1161(3) 0.8907(3) 0.0334(7) Uani 1 1 d . . .
H2 H -0.2240 -0.0700 0.8797 0.040 Uiso 1 1 calc R . .
C3 C -0.2959(4) -0.2191(4) 0.9118(3) 0.0426(9) Uani 1 1 d . . .
H3 H -0.227(4) -0.247(4) 0.915(3) 0.043(12) Uiso 1 1 d . . .
C4 C -0.3933(4) -0.2852(4) 0.9312(3) 0.0451(9) Uani 1 1 d . . .
H4 H -0.393(5) -0.354(5) 0.942(4) 0.056(15) Uiso 1 1 d . . .
C5 C -0.4903(4) -0.2535(3) 0.9290(3) 0.0393(8) Uani 1 1 d . . .
H5 H -0.559(4) -0.304(4) 0.947(3) 0.036(11) Uiso 1 1 d . . .
C6 C -0.4867(3) -0.1518(3) 0.9052(2) 0.0296(6) Uani 1 1 d . . .
C7 C -0.5207(3) -0.0041(3) 0.8666(2) 0.0257(6) Uani 1 1 d . . .
C8 C -0.6853(3) -0.1543(3) 0.8958(3) 0.0356(7) Uani 1 1 d . . .
H8A H -0.7208 -0.0969 0.9297 0.043 Uiso 1 1 calc R . .
H8B H -0.6889 -0.2118 0.9324 0.043 Uiso 1 1 calc R . .
C9 C -0.7485(4) -0.2109(5) 0.7968(4) 0.0592(12) Uani 1 1 d . . .
H9A H -0.8244 -0.2491 0.8022 0.089 Uiso 1 1 calc R . .
H9B H -0.7126 -0.2666 0.7624 0.089 Uiso 1 1 calc R . .
H9C H -0.7492 -0.1536 0.7617 0.089 Uiso 1 1 calc R . .
C10 C -0.5755(3) 0.0774(3) 0.8408(2) 0.0266(6) Uani 1 1 d . . .
C11 C -0.6820(3) 0.0829(3) 0.8574(3) 0.0342(7) Uani 1 1 d . . .
H11 H -0.7252 0.0319 0.8876 0.041 Uiso 1 1 calc R . .
C12 C -0.7239(3) 0.1633(4) 0.8295(3) 0.0386(8) Uani 1 1 d . . .
H12 H -0.796(4) 0.168(4) 0.840(4) 0.046(13) Uiso 1 1 d . . .
C13 C -0.6593(3) 0.2371(3) 0.7864(3) 0.0347(7) Uani 1 1 d . . .
H13 H -0.6874 0.2919 0.7652 0.042 Uiso 1 1 calc R . .
C14 C -0.5524(3) 0.2298(3) 0.7747(2) 0.0275(6) Uani 1 1 d . . .
C15 C -0.4736(3) 0.3042(3) 0.7317(2) 0.0258(6) Uani 1 1 d . . .
C16 C -0.3857(3) 0.4461(3) 0.6795(2) 0.0292(6) Uani 1 1 d . . .
C17 C -0.3482(3) 0.5468(3) 0.6538(3) 0.0375(8) Uani 1 1 d . . .
H17 H -0.382(4) 0.607(4) 0.662(3) 0.041(12) Uiso 1 1 d . . .
C18 C -0.2525(4) 0.5590(3) 0.6127(3) 0.0398(8) Uani 1 1 d . . .
H18 H -0.218(5) 0.622(5) 0.597(4) 0.054(15) Uiso 1 1 d . . .
C19 C -0.1964(3) 0.4731(3) 0.5949(2) 0.0304(6) Uani 1 1 d . . .
C20 C -0.2349(3) 0.3732(3) 0.6213(2) 0.0275(6) Uani 1 1 d . . .
H20 H -0.1979 0.3148 0.6090 0.033 Uiso 1 1 calc R . .
C21 C -0.3296(3) 0.3616(3) 0.6662(2) 0.0274(6) Uani 1 1 d . . .
C22 C -0.5595(3) 0.4723(3) 0.7429(3) 0.0407(8) Uani 1 1 d . . .
H22A H -0.5209 0.5539 0.7640 0.049 Uiso 1 1 calc R . .
H22B H -0.5970 0.4515 0.7962 0.049 Uiso 1 1 calc R . .
C23 C -0.6452(4) 0.4514(5) 0.6576(4) 0.0597(13) Uani 1 1 d . . .
H23A H -0.6998 0.4937 0.6762 0.090 Uiso 1 1 calc R . .
H23B H -0.6823 0.3703 0.6354 0.090 Uiso 1 1 calc R . .
H23C H -0.6090 0.4766 0.6061 0.090 Uiso 1 1 calc R . .
C24 C -0.0966(3) 0.4871(3) 0.5457(3) 0.0318(7) Uani 1 1 d . . .
C25 C -0.0063(3) 0.5803(3) 0.5781(3) 0.0345(7) Uani 1 1 d . . .
C26 C 0.0881(3) 0.5945(3) 0.5350(3) 0.0345(7) Uani 1 1 d . . .
H26 H 0.145(4) 0.656(4) 0.558(3) 0.040(12) Uiso 1 1 d . . .
C27 C -0.1170(3) 0.0199(3) 0.7141(3) 0.0370(7) Uani 1 1 d . A .
C28 C -0.0400(3) 0.1190(4) 0.7114(3) 0.0409(8) Uani 1 1 d . . .
H28 H 0.0305 0.1147 0.6938 0.049 Uiso 1 1 calc R . .
C29 C -0.0638(3) 0.2241(3) 0.7338(3) 0.0343(7) Uani 1 1 d . . .
C30 C 0.0280(3) 0.3255(4) 0.7266(4) 0.0464(10) Uani 1 1 d . . .
C31 C -0.0767(4) -0.0876(4) 0.6919(3) 0.0474(10) Uani 1 1 d D . .
C33 C -0.1264(3) 0.2237(3) 0.9640(3) 0.0351(7) Uani 1 1 d . . .
C34 C -0.1339(3) 0.3357(3) 0.9888(3) 0.0397(8) Uani 1 1 d . . .
H34 H -0.0778 0.3931 1.0325 0.048 Uiso 1 1 calc R . .
C35 C -0.2241(3) 0.3615(3) 0.9487(3) 0.0383(8) Uani 1 1 d . . .
C36 C -0.2346(5) 0.4822(4) 0.9811(4) 0.0541(11) Uani 1 1 d . . .
C37 C -0.0314(4) 0.1938(4) 1.0154(3) 0.0474(9) Uani 1 1 d . . .
C38 C -0.3028(3) 0.0212(3) 0.5346(3) 0.0347(7) Uani 1 1 d . . .
C39 C -0.3741(4) -0.0845(3) 0.5270(3) 0.0394(8) Uani 1 1 d . . .
H39 H -0.3771 -0.1462 0.4737 0.047 Uiso 1 1 calc R . .
C40 C -0.4402(3) -0.0996(3) 0.5971(3) 0.0334(7) Uani 1 1 d . . .
C41 C -0.5158(4) -0.2163(3) 0.5895(3) 0.0405(8) Uani 1 1 d . . .
C42 C -0.2338(4) 0.0311(4) 0.4520(3) 0.0445(9) Uani 1 1 d . . .
F5A F -0.1296(6) -0.1667(6) 0.7313(5) 0.0635(7) Uiso 0.543(6) 1 d PD A 1
F6A F -0.0896(6) -0.1362(6) 0.6007(4) 0.0635(7) Uiso 0.543(6) 1 d PD A 1
F7A F 0.0316(5) -0.0700(5) 0.7202(5) 0.0635(7) Uiso 0.543(6) 1 d PD A 1
F5B F -0.0945(7) -0.1403(7) 0.7631(6) 0.0635(7) Uiso 0.457(6) 1 d PD A 2
F6B F -0.1412(7) -0.1645(7) 0.6115(5) 0.0635(7) Uiso 0.457(6) 1 d PD A 2
F7B F 0.0244(6) -0.0766(6) 0.6774(6) 0.0635(7) Uiso 0.457(6) 1 d P A 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'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 '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
O5 Yb1 O2 137.33(9) . .
O5 Yb1 O1 77.93(9) . .
O2 Yb1 O1 76.40(9) . .
O5 Yb1 O4 143.48(9) . .
O2 Yb1 O4 76.64(9) . .
O1 Yb1 O4 133.28(9) . .
O5 Yb1 O6 70.09(9) . .
O2 Yb1 O6 69.40(9) . .
O1 Yb1 O6 70.28(8) . .
O4 Yb1 O6 131.50(9) . .
O5 Yb1 O3 127.34(9) . .
O2 Yb1 O3 70.57(8) . .
O1 Yb1 O3 66.87(9) . .
O4 Yb1 O3 68.45(8) . .
O6 Yb1 O3 126.45(9) . .
O5 Yb1 N4 97.04(9) . .
O2 Yb1 N4 81.85(8) . .
O1 Yb1 N4 139.95(9) . .
O4 Yb1 N4 71.09(9) . .
O6 Yb1 N4 70.71(9) . .
O3 Yb1 N4 135.03(9) . .
O5 Yb1 N1 69.09(9) . .
O2 Yb1 N1 141.02(8) . .
O1 Yb1 N1 86.04(9) . .
O4 Yb1 N1 91.70(9) . .
O6 Yb1 N1 136.11(9) . .
O3 Yb1 N1 70.56(9) . .
N4 Yb1 N1 129.75(9) . .
O5 Yb1 N3 72.63(9) . .
O2 Yb1 N3 139.49(8) . .
O1 Yb1 N3 144.10(9) . .
O4 Yb1 N3 71.07(8) . .
O6 Yb1 N3 116.50(8) . .
O3 Yb1 N3 117.05(8) . .
N4 Yb1 N3 65.12(9) . .
N1 Yb1 N3 64.65(9) . .
C29 O2 Yb1 132.2(2) . .
C27 O1 Yb1 131.9(2) . .
C35 O4 Yb1 133.8(2) . .
C33 O3 Yb1 131.9(2) . .
C38 O6 Yb1 130.6(2) . .
C40 O5 Yb1 133.1(2) . .
C15 N4 C21 105.4(3) . .
C15 N4 Yb1 118.2(2) . .
C21 N4 Yb1 131.5(2) . .
C7 N2 C6 106.1(3) . .
C7 N2 C8 131.6(3) . .
C6 N2 C8 121.6(3) . .
C7 N1 C1 105.3(3) . .
C7 N1 Yb1 118.4(2) . .
C1 N1 Yb1 131.3(2) . .
C10 N3 C14 118.7(3) . .
C10 N3 Yb1 120.8(2) . .
C14 N3 Yb1 120.4(2) . .
C15 N5 C16 106.0(3) . .
C15 N5 C22 131.9(3) . .
C16 N5 C22 122.0(3) . .
N1 C1 C6 109.0(3) . .
N1 C1 C2 130.4(3) . .
C6 C1 C2 120.6(3) . .
C3 C2 C1 116.5(3) . .
C3 C2 H2 121.8 . .
C1 C2 H2 121.8 . .
C2 C3 C4 121.9(4) . .
C2 C3 H3 120(3) . .
C4 C3 H3 118(3) . .
C5 C4 C3 122.0(4) . .
C5 C4 H4 120(4) . .
C3 C4 H4 118(4) . .
C4 C5 C6 116.3(4) . .
C4 C5 H5 119(3) . .
C6 C5 H5 125(3) . .
N2 C6 C1 106.7(3) . .
N2 C6 C5 130.7(3) . .
C1 C6 C5 122.6(3) . .
N1 C7 N2 112.9(3) . .
N1 C7 C10 120.2(3) . .
N2 C7 C10 127.0(3) . .
N2 C8 C9 112.3(3) . .
N2 C8 H8A 109.1 . .
C9 C8 H8A 109.1 . .
N2 C8 H8B 109.1 . .
C9 C8 H8B 109.1 . .
H8A C8 H8B 107.9 . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N3 C10 C11 121.9(3) . .
N3 C10 C7 113.2(3) . .
C11 C10 C7 124.9(3) . .
C12 C11 C10 119.1(3) . .
C12 C11 H11 120.5 . .
C10 C11 H11 120.5 . .
C11 C12 C13 119.4(3) . .
C11 C12 H12 120(3) . .
C13 C12 H12 120(3) . .
C12 C13 C14 118.8(3) . .
C12 C13 H13 120.6 . .
C14 C13 H13 120.6 . .
N3 C14 C13 122.0(3) . .
N3 C14 C15 113.2(3) . .
C13 C14 C15 124.8(3) . .
N4 C15 N5 113.2(3) . .
N4 C15 C14 120.0(3) . .
N5 C15 C14 126.8(3) . .
N5 C16 C17 130.8(3) . .
N5 C16 C21 106.3(3) . .
C17 C16 C21 122.9(3) . .
C18 C17 C16 116.3(3) . .
C18 C17 H17 117(3) . .
C16 C17 H17 126(3) . .
C17 C18 C19 122.1(3) . .
C17 C18 H18 125(4) . .
C19 C18 H18 113(4) . .
C20 C19 C18 120.7(3) . .
C20 C19 C24 118.9(3) . .
C18 C19 C24 120.4(3) . .
C19 C20 C21 117.7(3) . .
C19 C20 H20 121.1 . .
C21 C20 H20 121.1 . .
N4 C21 C20 130.7(3) . .
N4 C21 C16 109.1(3) . .
C20 C21 C16 120.2(3) . .
N5 C22 C23 112.3(4) . .
N5 C22 H22A 109.2 . .
C23 C22 H22A 109.2 . .
N5 C22 H22B 109.2 . .
C23 C22 H22B 109.2 . .
H22A C22 H22B 107.9 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C25 C24 C26 116.5(3) . 2_566
C25 C24 C19 122.1(3) . .
C26 C24 C19 121.3(3) 2_566 .
F1 C25 C26 117.6(3) . .
F1 C25 C24 119.0(3) . .
C26 C25 C24 123.4(4) . .
C25 C26 C24 120.1(3) . 2_566
C25 C26 H26 121(3) . .
C24 C26 H26 119(3) 2_566 .
O1 C27 C28 129.0(3) . .
O1 C27 C31 115.4(4) . .
C28 C27 C31 115.6(3) . .
C27 C28 C29 121.9(3) . .
C27 C28 H28 119.1 . .
C29 C28 H28 119.1 . .
O2 C29 C28 128.4(4) . .
O2 C29 C30 115.4(3) . .
C28 C29 C30 116.2(3) . .
F3 C30 F4 105.7(4) . .
F3 C30 F2 107.1(4) . .
F4 C30 F2 107.7(4) . .
F3 C30 C29 112.9(4) . .
F4 C30 C29 110.7(4) . .
F2 C30 C29 112.4(3) . .
F6A C31 F5A 105.5(5) . .
F6A C31 F7A 104.5(5) . .
F5A C31 F7A 106.1(5) . .
F7B C31 F5B 108.1(6) . .
F7B C31 F6B 107.1(6) . .
F5B C31 F6B 104.5(6) . .
F7B C31 C27 117.2(5) . .
F6A C31 C27 112.5(4) . .
F5A C31 C27 113.5(4) . .
F7A C31 C27 114.0(5) . .
F5B C31 C27 109.8(5) . .
F6B C31 C27 109.4(4) . .
O3 C33 C34 127.2(3) . .
O3 C33 C37 114.1(4) . .
C34 C33 C37 118.6(4) . .
C35 C34 C33 119.0(3) . .
C35 C34 H34 120.5 . .
C33 C34 H34 120.5 . .
O4 C35 C34 127.7(4) . .
O4 C35 C36 113.9(4) . .
C34 C35 C36 118.3(4) . .
F14 C36 F13 109.2(5) . .
F14 C36 F15 105.8(5) . .
F13 C36 F15 103.0(5) . .
F14 C36 C35 112.7(4) . .
F13 C36 C35 114.8(4) . .
F15 C36 C35 110.6(4) . .
F12 C37 F8 107.0(4) . .
F12 C37 F9 108.1(5) . .
F8 C37 F9 105.9(4) . .
F12 C37 C33 111.1(4) . .
F8 C37 C33 113.7(4) . .
F9 C37 C33 110.7(4) . .
O6 C38 C39 127.7(4) . .
O6 C38 C42 115.8(4) . .
C39 C38 C42 116.4(3) . .
C40 C39 C38 119.9(3) . .
C40 C39 H39 120.0 . .
C38 C39 H39 120.0 . .
O5 C40 C39 127.2(4) . .
O5 C40 C41 113.4(3) . .
C39 C40 C41 119.5(3) . .
F18 C41 F17 106.7(4) . .
F18 C41 F16 107.0(3) . .
F17 C41 F16 106.7(3) . .
F18 C41 C40 112.1(3) . .
F17 C41 C40 110.8(3) . .
F16 C41 C40 113.3(4) . .
F21 C42 F20 110.7(4) . .
F21 C42 F19 105.2(4) . .
F20 C42 F19 105.7(4) . .
F21 C42 C38 112.5(3) . .
F20 C42 C38 111.8(3) . .
F19 C42 C38 110.4(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O5 2.297(2) .
Yb1 O2 2.308(2) .
Yb1 O1 2.314(2) .
Yb1 O4 2.333(2) .
Yb1 O6 2.438(2) .
Yb1 O3 2.469(2) .
Yb1 N4 2.473(3) .
Yb1 N1 2.479(3) .
Yb1 N3 2.526(3) .
O2 C29 1.246(4) .
O1 C27 1.239(5) .
O4 C35 1.256(5) .
O3 C33 1.242(5) .
O6 C38 1.238(5) .
O5 C40 1.267(4) .
F1 C25 1.358(4) .
F4 C30 1.323(6) .
F15 C36 1.335(6) .
F16 C41 1.337(5) .
F17 C41 1.331(5) .
F9 C37 1.333(6) .
F2 C30 1.323(5) .
F18 C41 1.327(5) .
F3 C30 1.310(6) .
F12 C37 1.314(6) .
F14 C36 1.282(7) .
F8 C37 1.330(6) .
F13 C36 1.321(6) .
F19 C42 1.342(6) .
F20 C42 1.316(5) .
F21 C42 1.300(6) .
N4 C15 1.324(4) .
N4 C21 1.387(4) .
N2 C7 1.367(4) .
N2 C6 1.378(4) .
N2 C8 1.469(4) .
N1 C7 1.326(4) .
N1 C1 1.391(4) .
N3 C10 1.342(4) .
N3 C14 1.347(4) .
N5 C15 1.360(4) .
N5 C16 1.389(4) .
N5 C22 1.461(4) .
C1 C6 1.394(5) .
C1 C2 1.403(5) .
C2 C3 1.393(5) .
C2 H2 0.9500 .
C3 C4 1.395(7) .
C3 H3 1.02(5) .
C4 C5 1.374(6) .
C4 H4 0.92(6) .
C5 C6 1.397(5) .
C5 H5 1.03(5) .
C7 C10 1.471(4) .
C8 C9 1.518(6) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.393(5) .
C11 C12 1.375(5) .
C11 H11 0.9500 .
C12 C13 1.380(5) .
C12 H12 0.95(5) .
C13 C14 1.389(5) .
C13 H13 0.9500 .
C14 C15 1.474(4) .
C16 C17 1.393(5) .
C16 C21 1.396(4) .
C17 C18 1.372(6) .
C17 H17 0.94(5) .
C18 C19 1.412(5) .
C18 H18 0.90(6) .
C19 C20 1.391(4) .
C19 C24 1.482(5) .
C20 C21 1.391(5) .
C20 H20 0.9500 .
C22 C23 1.517(7) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C25 1.386(5) .
C24 C26 1.393(5) 2_566
C25 C26 1.375(5) .
C26 C24 1.393(5) 2_566
C26 H26 0.89(5) .
C27 C28 1.397(6) .
C27 C31 1.529(5) .
C28 C29 1.396(5) .
C28 H28 0.9500 .
C29 C30 1.534(5) .
C31 F7B 1.285(9) .
C31 F6A 1.303(8) .
C31 F5A 1.331(8) .
C31 F7A 1.347(8) .
C31 F5B 1.362(9) .
C31 F6B 1.386(9) .
C33 C34 1.399(6) .
C33 C37 1.537(5) .
C34 C35 1.384(6) .
C34 H34 0.9500 .
C35 C36 1.522(6) .
C38 C39 1.393(6) .
C38 C42 1.541(5) .
C39 C40 1.378(6) .
C39 H39 0.9500 .
C40 C41 1.525(5) .
