#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:58:04 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229227 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/64/7046417.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_7046417
loop_
_publ_author_name
'Xiao, Zhao-Xin'
'Miao, Hao'
'Shao, Dong'
'Wei, Hai-Yan'
'Zhang, Yi-Quan'
'Wang, Xin-Yi'
_publ_section_title
;
 A family of lanthanide compounds with reduced nitronyl nitroxide
 diradical: syntheses, structures and magnetic properties.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7925
_journal_page_last               7933
_journal_paper_doi               10.1039/c8dt01112e
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C50 H42 F36 N6 O16 Yb2'
_chemical_formula_weight         2012.97
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-03-22 deposited with the CCDC.
2018-05-21 downloaded from the CCDC.
;
_cell_angle_alpha                87.574(2)
_cell_angle_beta                 69.902(2)
_cell_angle_gamma                88.337(2)
_cell_formula_units_Z            1
_cell_length_a                   12.0282(15)
_cell_length_b                   12.1219(16)
_cell_length_c                   12.7435(16)
_cell_measurement_reflns_used    5833
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.01
_cell_measurement_theta_min      2.43
_cell_volume                     1743.1(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_unetI/netI     0.0714
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15306
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.024
_diffrn_reflns_theta_min         1.682
_exptl_absorpt_coefficient_mu    2.828
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.3784
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.918
_exptl_crystal_description       rod
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.230
_refine_diff_density_max         1.935
_refine_diff_density_min         -1.972
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         7490
_refine_ls_number_restraints     370
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.039
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0457P)²+0.0515P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.0956
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6724
_reflns_number_total             7490
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt01112e2.cif
_cod_data_source_block           BHIMPz-Yb
_cod_depositor_comments
'Adding full bibliography for 7046416--7046422.cif.'
_cod_database_code               7046417
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.505
_shelx_estimated_absorpt_t_max   0.562
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.50792(2) 0.83628(2) 0.67868(2) 0.01519(7) Uani 1 1 d . U . . .
O1 O 0.5930(2) 0.8165(2) 0.4908(2) 0.0172(6) Uani 1 1 d . U . . .
O7 O 0.6705(3) 0.9257(2) 0.6861(2) 0.0222(7) Uani 1 1 d . U . . .
O2 O 0.6441(3) 0.6911(2) 0.6714(2) 0.0233(7) Uani 1 1 d . U . . .
O8 O 0.5102(3) 1.0218(2) 0.6129(3) 0.0201(6) Uani 1 1 d D U . . .
O6 O 0.5103(3) 0.8099(3) 0.8599(2) 0.0229(7) Uani 1 1 d . U . . .
O4 O 0.3512(3) 0.8349(3) 0.6053(3) 0.0237(7) Uani 1 1 d . U . . .
N1 N 0.6869(3) 0.7531(3) 0.4340(3) 0.0162(7) Uani 1 1 d . U . . .
F4 F 0.1560(3) 1.0088(3) 0.9792(3) 0.0538(9) Uani 1 1 d . U . . .
O5 O 0.3418(3) 0.9109(3) 0.8075(2) 0.0231(7) Uani 1 1 d . U . . .
F11 F 0.9015(3) 0.9842(4) 0.7785(3) 0.0551(10) Uani 1 1 d . U . . .
O3 O 0.4023(3) 0.6807(2) 0.7448(3) 0.0251(7) Uani 1 1 d . U . . .
F10 F 0.8017(3) 1.1094(3) 0.7251(3) 0.0601(10) Uani 1 1 d . U . . .
F12 F 0.8982(3) 0.9860(3) 0.6127(2) 0.0540(10) Uani 1 1 d . U . . .
F5 F 0.2203(3) 0.8552(3) 1.0260(3) 0.0600(11) Uani 1 1 d . U . . .
N3 N 0.5987(3) 0.4873(3) 0.5328(3) 0.0187(7) Uani 1 1 d . U . . .
F18 F 0.8087(3) 0.5134(4) 0.6319(4) 0.0710(12) Uani 1 1 d . U . . .
N2 N 0.7970(3) 0.6093(3) 0.3662(3) 0.0238(8) Uani 1 1 d D U . . .
F2 F 0.2114(4) 0.8155(5) 0.4857(4) 0.0818(15) Uani 1 1 d . U . . .
F6 F 0.0589(3) 0.8611(4) 0.9933(3) 0.0644(11) Uani 1 1 d . U . . .
F9A F 0.6208(16) 0.7949(15) 1.0773(16) 0.062(4) Uani 0.66(2) 1 d . U P A 1
C5 C 0.8004(4) 0.8026(3) 0.3580(4) 0.0189(9) Uani 1 1 d . U . . .
F3 F 0.0611(3) 0.7939(4) 0.6298(4) 0.0798(14) Uani 1 1 d . U . . .
F1 F 0.1905(4) 0.6661(3) 0.5800(4) 0.0792(14) Uani 1 1 d . U . . .
C1 C 0.7809(4) 0.8330(4) 0.2474(4) 0.0295(11) Uani 1 1 d . U . . .
H1A H 0.7177 0.8867 0.2604 0.044 Uiso 1 1 calc R U . . .
H1B H 0.7605 0.7681 0.2179 0.044 Uiso 1 1 calc R U . . .
H1C H 0.8521 0.8633 0.1948 0.044 Uiso 1 1 calc R U . . .
C8 C 0.5851(4) 0.5728(3) 0.4678(3) 0.0182(8) Uani 1 1 d . U . . .
F17 F 0.7365(4) 0.4656(4) 0.8002(4) 0.1002(19) Uani 1 1 d . U . . .
F7A F 0.4573(11) 0.8737(13) 1.0927(10) 0.069(4) Uani 0.66(2) 1 d . U P A 1
C7 C 0.6880(4) 0.6468(3) 0.4258(3) 0.0180(8) Uani 1 1 d . U . . .
F8A F 0.4821(14) 0.7031(8) 1.0512(10) 0.060(3) Uani 0.66(2) 1 d . U P A 1
C6 C 0.8849(4) 0.6991(4) 0.3476(4) 0.0242(10) Uani 1 1 d . U . . .
C13 C 0.1803(4) 0.8357(4) 0.7708(4) 0.0269(10) Uani 1 1 d . U . . .
H13 H 0.1011 0.8164 0.8016 0.032 Uiso 1 1 calc R U . . .
C9 C 0.5125(4) 0.4132(3) 0.5668(3) 0.0171(8) Uani 1 1 d . U . . .
C12 C 0.2431(4) 0.8189(4) 0.6586(4) 0.0250(10) Uani 1 1 d . U . . .
C17 C 0.5789(4) 0.8330(3) 0.9091(4) 0.0211(9) Uani 1 1 d . U . . .
C10 C 0.5261(4) 0.3211(4) 0.6436(4) 0.0272(10) Uani 1 1 d . U . . .
H10A H 0.5577 0.2568 0.6012 0.041 Uiso 1 1 calc R U . . .
H10B H 0.4502 0.3045 0.6984 0.041 Uiso 1 1 calc R U . . .
H10C H 0.5790 0.3428 0.6805 0.041 Uiso 1 1 calc R U . . .
C25 C 0.7489(5) 0.5495(5) 0.7314(5) 0.0387(13) Uani 1 1 d . U . . .
C18 C 0.6859(4) 0.8873(4) 0.8643(4) 0.0309(11) Uani 1 1 d . U . . .
H18 H 0.7341 0.8940 0.9072 0.037 Uiso 1 1 calc R U . . .
F16 F 0.8194(5) 0.6197(4) 0.7520(6) 0.112(2) Uani 1 1 d . U . . .
C22 C 0.4219(4) 0.6004(4) 0.8026(4) 0.0265(10) Uani 1 1 d . U . . .
C19 C 0.7213(4) 0.9316(4) 0.7558(4) 0.0243(10) Uani 1 1 d . U . . .
F15A F 0.2352(12) 0.6148(9) 0.9369(12) 0.080(4) Uani 0.66(2) 1 d . U P A 1
C14 C 0.2374(4) 0.8819(4) 0.8372(4) 0.0251(10) Uani 1 1 d . U . . .
C2 C 0.8293(4) 0.9027(4) 0.4077(5) 0.0364(12) Uani 1 1 d . U . . .
H2A H 0.7707 0.9593 0.4118 0.055 Uiso 1 1 calc R U . . .
H2B H 0.9058 0.9289 0.3616 0.055 Uiso 1 1 calc R U . . .
H2C H 0.8301 0.8840 0.4814 0.055 Uiso 1 1 calc R U . . .
C4 C 0.9372(5) 0.6909(5) 0.4402(5) 0.0415(14) Uani 1 1 d . U . . .
H4A H 0.8775 0.7098 0.5096 0.062 Uiso 1 1 calc R U . . .
H4B H 1.0019 0.7410 0.4233 0.062 Uiso 1 1 calc R U . . .
H4C H 0.9653 0.6169 0.4463 0.062 Uiso 1 1 calc R U . . .
C24 C 0.6344(4) 0.6068(4) 0.7334(4) 0.0257(10) Uani 1 1 d . U . . .
C3 C 0.9797(4) 0.6872(5) 0.2335(4) 0.0395(13) Uani 1 1 d . U . . .
H3A H 1.0201 0.6175 0.2313 0.059 Uiso 1 1 calc R U . . .
H3B H 1.0353 0.7459 0.2202 0.059 Uiso 1 1 calc R U . . .
H3C H 0.9436 0.6908 0.1769 0.059 Uiso 1 1 calc R U . . .
C23 C 0.5274(4) 0.5589(4) 0.8044(4) 0.0298(11) Uani 1 1 d . U . . .
H23 H 0.5295 0.4992 0.8520 0.036 Uiso 1 1 calc R U . . .
C11 C 0.1741(5) 0.7717(5) 0.5891(5) 0.0359(12) Uani 1 1 d . U . . .
F13A F 0.2627(12) 0.4874(14) 0.8214(7) 0.096(5) Uani 0.66(2) 1 d . U P A 1
C16 C 0.5370(5) 0.8010(5) 1.0347(4) 0.0357(12) Uani 1 1 d . U . . .
C15 C 0.1665(5) 0.9020(5) 0.9596(4) 0.0342(12) Uani 1 1 d . U . . .
C20 C 0.8306(5) 1.0022(5) 0.7192(4) 0.0354(12) Uani 1 1 d . U . . .
F14A F 0.3279(7) 0.4710(8) 0.9532(9) 0.072(3) Uani 0.66(2) 1 d . U P A 1
C21 C 0.3061(5) 0.5422(5) 0.8781(5) 0.0457(14) Uani 1 1 d . U . . .
H8WB H 0.462(3) 1.061(3) 0.592(3) 0.008(10) Uiso 1 1 d D . . . .
H8WA H 0.571(3) 1.055(4) 0.609(5) 0.040(17) Uiso 1 1 d D . . . .
H14 H 0.796(5) 0.5273(17) 0.370(4) 0.039(15) Uiso 1 1 d D . . . .
F8B F 0.454(3) 0.730(2) 1.075(2) 0.075(8) Uani 0.34(2) 1 d . U P A 2
F7B F 0.506(3) 0.888(3) 1.091(3) 0.089(9) Uani 0.34(2) 1 d . U P A 2
F9B F 0.623(4) 0.762(3) 1.066(4) 0.064(9) Uani 0.34(2) 1 d . U P A 2
F14B F 0.3108(13) 0.4385(12) 0.884(3) 0.090(8) Uani 0.34(2) 1 d . U P A 2
F13B F 0.2201(13) 0.5535(17) 0.8247(16) 0.065(5) Uani 0.34(2) 1 d . U P A 2
F15B F 0.241(3) 0.592(2) 0.9678(19) 0.080(8) Uani 0.34(2) 1 d . U 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
O3 Yb1 O1 105.57(11) . .
O3 Yb1 O7 140.88(10) . .
O1 Yb1 O7 91.69(10) . .
O3 Yb1 O5 80.06(11) . .
O1 Yb1 O5 140.55(10) . .
O7 Yb1 O5 108.44(11) . .
O3 Yb1 O6 75.46(11) . .
O1 Yb1 O6 150.97(10) . .
O7 Yb1 O6 72.93(10) . .
O5 Yb1 O6 68.47(10) . .
O3 Yb1 O2 72.64(11) . .
O1 Yb1 O2 78.62(10) . .
O7 Yb1 O2 76.95(11) . .
O5 Yb1 O2 137.97(10) . .
O6 Yb1 O2 74.05(11) . .
O3 Yb1 O8 147.93(10) . .
O1 Yb1 O8 79.02(10) . .
O7 Yb1 O8 68.94(10) . .
O5 Yb1 O8 77.37(11) . .
O6 Yb1 O8 115.93(11) . .
O2 Yb1 O8 138.23(10) . .
O3 Yb1 O4 71.85(10) . .
O1 Yb1 O4 73.23(10) . .
O7 Yb1 O4 147.27(10) . .
O5 Yb1 O4 71.74(11) . .
O6 Yb1 O4 131.79(10) . .
O2 Yb1 O4 125.85(11) . .
O8 Yb1 O4 79.58(10) . .
N1 O1 Yb1 129.2(2) . .
C19 O7 Yb1 135.5(3) . .
C24 O2 Yb1 129.9(3) . .
Yb1 O8 H8WB 133(3) . .
Yb1 O8 H8WA 114(3) . .
H8WB O8 H8WA 113(3) . .
C17 O6 Yb1 135.4(3) . .
C12 O4 Yb1 127.4(3) . .
C7 N1 O1 126.3(3) . .
C7 N1 C5 111.4(3) . .
O1 N1 C5 121.8(3) . .
C14 O5 Yb1 129.9(3) . .
C22 O3 Yb1 129.8(3) . .
C9 N3 C8 117.5(3) . .
C7 N2 C6 109.9(4) . .
C7 N2 H14 108(3) . .
C6 N2 H14 138(3) . .
C2 C5 N1 110.7(4) . .
C2 C5 C1 110.8(4) . .
N1 C5 C1 106.1(3) . .
C2 C5 C6 117.0(4) . .
N1 C5 C6 99.2(3) . .
C1 C5 C6 112.0(4) . .
C5 C1 H1A 109.5 . .
C5 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C5 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N3 C8 C9 123.5(4) . 2_666
N3 C8 C7 114.6(4) . .
C9 C8 C7 121.7(4) 2_666 .
N1 C7 N2 111.0(4) . .
N1 C7 C8 126.9(4) . .
N2 C7 C8 122.0(4) . .
N2 C6 C4 108.7(4) . .
N2 C6 C3 109.0(4) . .
C4 C6 C3 111.5(4) . .
N2 C6 C5 99.7(3) . .
C4 C6 C5 112.2(4) . .
C3 C6 C5 114.9(4) . .
C12 C13 C14 119.4(4) . .
C12 C13 H13 120.3 . .
C14 C13 H13 120.3 . .
N3 C9 C8 119.0(4) . 2_666
N3 C9 C10 117.0(4) . .
C8 C9 C10 124.0(4) 2_666 .
O4 C12 C13 128.5(4) . .
O4 C12 C11 114.6(4) . .
C13 C12 C11 116.9(4) . .
O6 C17 C18 127.2(4) . .
O6 C17 C16 115.5(4) . .
C18 C17 C16 117.3(4) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
F17 C25 F18 106.2(5) . .
F17 C25 F16 108.1(5) . .
F18 C25 F16 104.9(5) . .
F17 C25 C24 115.1(5) . .
F18 C25 C24 111.4(4) . .
F16 C25 C24 110.4(5) . .
C19 C18 C17 120.3(4) . .
C19 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
O3 C22 C23 128.8(5) . .
O3 C22 C21 112.8(4) . .
C23 C22 C21 118.4(4) . .
O7 C19 C18 128.0(4) . .
O7 C19 C20 115.2(4) . .
C18 C19 C20 116.6(4) . .
O5 C14 C13 127.0(4) . .
O5 C14 C15 114.2(4) . .
C13 C14 C15 118.8(4) . .
C5 C2 H2A 109.5 . .
C5 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C5 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C6 C4 H4A 109.5 . .
C6 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C6 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
O2 C24 C23 126.6(4) . .
O2 C24 C25 116.4(4) . .
C23 C24 C25 117.0(4) . .
C6 C3 H3A 109.5 . .
C6 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C6 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C22 C23 C24 119.8(4) . .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 . .
F1 C11 F3 109.4(5) . .
F1 C11 F2 106.5(5) . .
F3 C11 F2 105.9(5) . .
F1 C11 C12 111.3(4) . .
F3 C11 C12 112.7(5) . .
F2 C11 C12 110.6(4) . .
F7B C16 F8B 107.8(18) . .
F7B C16 F9B 102(2) . .
F8B C16 F9B 104(2) . .
F9A C16 F7A 107.2(11) . .
F9A C16 F8A 109.2(10) . .
F7A C16 F8A 106.5(9) . .
F7B C16 C17 109.2(15) . .
F8B C16 C17 119.6(12) . .
F9B C16 C17 112.3(19) . .
F9A C16 C17 114.4(9) . .
F7A C16 C17 110.4(6) . .
F8A C16 C17 108.9(6) . .
F6 C15 F4 107.6(5) . .
F6 C15 F5 106.2(4) . .
F4 C15 F5 107.1(5) . .
F6 C15 C14 113.7(5) . .
F4 C15 C14 111.1(4) . .
F5 C15 C14 110.8(4) . .
F11 C20 F10 106.9(5) . .
F11 C20 F12 105.7(4) . .
F10 C20 F12 106.3(4) . .
F11 C20 C19 114.4(4) . .
F10 C20 C19 111.1(4) . .
F12 C20 C19 111.9(4) . .
F13A C21 F15A 114.0(11) . .
F14B C21 F15B 116.9(15) . .
F13A C21 F14A 106.7(8) . .
F15A C21 F14A 104.9(8) . .
F14B C21 F13B 98.0(13) . .
F15B C21 F13B 94.5(16) . .
F13A C21 C22 111.2(6) . .
F14B C21 C22 116.0(9) . .
F15A C21 C22 108.7(7) . .
F15B C21 C22 117.5(12) . .
F14A C21 C22 111.1(5) . .
F13B C21 C22 108.8(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O3 2.270(3) .
Yb1 O1 2.277(3) .
Yb1 O7 2.295(3) .
Yb1 O5 2.296(3) .
Yb1 O6 2.328(3) .
Yb1 O2 2.352(3) .
Yb1 O8 2.364(3) .
Yb1 O4 2.375(3) .
O1 N1 1.351(4) .
O7 C19 1.244(5) .
O2 C24 1.249(5) .
O8 H8WB 0.845(18) .
O8 H8WA 0.831(19) .
O6 C17 1.239(5) .
O4 C12 1.259(5) .
N1 C7 1.296(5) .
N1 C5 1.501(5) .
F4 C15 1.323(6) .
O5 C14 1.237(5) .
F11 C20 1.329(6) .
O3 C22 1.262(5) .
F10 C20 1.334(7) .
F12 C20 1.340(6) .
F5 C15 1.331(6) .
N3 C9 1.334(5) .
N3 C8 1.341(5) .
F18 C25 1.310(7) .
N2 C7 1.347(5) .
N2 C6 1.493(6) .
N2 H14 0.99(2) .
F2 C11 1.329(7) .
F6 C15 1.320(6) .
F9A C16 1.30(2) .
C5 C2 1.494(6) .
C5 C1 1.535(6) .
C5 C6 1.572(6) .
F3 C11 1.302(6) .
F1 C11 1.293(7) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C8 C9 1.393(6) 2_666
C8 C7 1.480(6) .
F17 C25 1.292(6) .
F7A C16 1.327(14) .
F8A C16 1.348(12) .
C6 C4 1.515(6) .
C6 C3 1.518(7) .
C13 C12 1.390(7) .
C13 C14 1.401(7) .
C13 H13 0.9300 .
C9 C8 1.393(6) 2_666
C9 C10 1.496(5) .
C12 C11 1.541(7) .
C17 C18 1.389(6) .
C17 C16 1.540(6) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C25 F16 1.315(7) .
C25 C24 1.517(7) .
C18 C19 1.389(6) .
C18 H18 0.9300 .
C22 C23 1.359(7) .
C22 C21 1.563(7) .
C19 C20 1.514(6) .
F15A C21 1.279(14) .
C14 C15 1.524(7) .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C24 C23 1.418(7) .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C23 H23 0.9300 .
F13A C21 1.247(10) .
C16 F7B 1.27(4) .
C16 F8B 1.29(3) .
C16 F9B 1.31(4) .
F14A C21 1.348(9) .
C21 F14B 1.256(15) .
C21 F15B 1.30(3) .
C21 F13B 1.421(16) .
