#------------------------------------------------------------------------------
#$Date: 2020-12-23 07:30:14 +0200 (Wed, 23 Dec 2020) $
#$Revision: 260115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/19/7241942.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_7241942
loop_
_publ_author_name
'Portolés-Gil, Núria'
'Gómez-Coca, Silvia'
'Vallcorba, Oriol'
'Marbán, Gregorio'
'Aliaga-Alcalde, Núria'
'López-Periago, Ana'
'Ayllón, José A.'
'Domingo, Concepción'
_publ_section_title
;
 Single molecule magnets of cobalt and zinc homo- and heterometallic
 coordination polymers prepared by a one-step synthetic procedure
;
_journal_issue                   73
_journal_name_full               'RSC Advances'
_journal_page_first              45090
_journal_page_last               45104
_journal_paper_doi               10.1039/D0RA09132D
_journal_volume                  10
_journal_year                    2020
_chemical_formula_sum            'C28 H18 F12 N2 O4 Zn'
_chemical_formula_weight         739.82
_chemical_name_systematic        '[Zn(hfacac)4(BisPyBz)2]'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-08-30 deposited with the CCDC.	2020-12-07 downloaded from the CCDC.
;
_cell_angle_alpha                104.699(10)
_cell_angle_beta                 96.02(2)
_cell_angle_gamma                97.45(3)
_cell_formula_units_Z            2
_cell_length_a                   8.900(2)
_cell_length_b                   9.8940(13)
_cell_length_c                   17.5110(17)
_cell_measurement_reflns_used    2826
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.091
_cell_measurement_theta_min      3.199
_cell_volume                     1463.6(4)
_computing_cell_refinement       'XDS (Kabsch, 2010)'
_computing_data_reduction        'XDS (Kabsch, 2010)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measurement_device_type  'CCD Pilatus 6M-Dectris'
_diffrn_measurement_method       'phi scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.72932
_diffrn_reflns_av_R_equivalents  0.0562
_diffrn_reflns_av_unetI/netI     0.0419
_diffrn_reflns_Laue_measured_fraction_full 0.954
_diffrn_reflns_Laue_measured_fraction_max 0.926
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            39373
_diffrn_reflns_point_group_measured_fraction_full 0.954
_diffrn_reflns_point_group_measured_fraction_max 0.926
_diffrn_reflns_theta_full        25.950
_diffrn_reflns_theta_max         31.393
_diffrn_reflns_theta_min         2.213
_diffrn_source                   'XALOC beamline, ALBA-CELLS, Barcelona'
_exptl_absorpt_coefficient_mu    1.016
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.904
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'XDS (Kabsch, 2010)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_description       blocky
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.657
_refine_diff_density_min         -0.496
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     438
_refine_ls_number_reflns         8283
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0411P)²+0.4450P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.0850
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7862
_reflns_number_total             8283
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ra09132d2.cif
_cod_data_source_block           Zn
_cod_original_cell_volume        1463.6(5)
_cod_database_code               7241942
_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   0.879
_shelx_estimated_absorpt_t_max   0.960
_exptl_absorpt_special_details   'from ABSORB.cbf scaled to 1'
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
Zn01 Zn 0.68699(2) 0.27865(2) 0.73827(2) 0.02223(5) Uani 1 1 d . . . . .
F12 F 0.35300(10) -0.12642(9) 0.74633(6) 0.0380(2) Uani 1 1 d . . . . .
F1 F 1.00818(13) 0.68584(10) 0.71563(7) 0.0458(2) Uani 1 1 d . . . . .
O3 O 0.83686(11) 0.24712(10) 0.83433(6) 0.02851(18) Uani 1 1 d . . . . .
F6 F 1.02122(16) -0.02612(15) 0.69115(9) 0.0409(3) Uani 0.955(4) 1 d D . P A 1
O1 O 0.84031(10) 0.45029(9) 0.73058(6) 0.02605(17) Uani 1 1 d . . . . .
O2 O 0.82807(10) 0.15425(10) 0.66678(6) 0.02676(18) Uani 1 1 d . . . . .
F11 F 0.53115(12) -0.24376(10) 0.76945(8) 0.0490(3) Uani 1 1 d . . . . .
O4 O 0.55705(10) 0.09335(9) 0.74047(6) 0.02670(18) Uani 1 1 d . . . . .
F4 F 1.21247(11) 0.11144(12) 0.67342(11) 0.0444(4) Uani 0.955(4) 1 d D . P A 1
F10 F 0.49406(14) -0.19603(11) 0.65665(7) 0.0499(3) Uani 1 1 d . . . . .
F7 F 1.11394(11) 0.17142(15) 0.87175(8) 0.0573(3) Uani 1 1 d . . . . .
F9 F 1.00518(13) -0.00213(13) 0.90796(9) 0.0614(3) Uani 1 1 d . . . . .
F5 F 1.0340(2) 0.00731(16) 0.57612(7) 0.0516(4) Uani 0.955(4) 1 d D . P A 1
F2 F 1.09754(16) 0.64781(11) 0.82399(7) 0.0598(3) Uani 1 1 d . . . . .
N1 N 0.58690(12) 0.41636(11) 0.82323(7) 0.02432(19) Uani 1 1 d . . . . .
N2 N 0.53646(11) 0.28860(11) 0.63963(7) 0.02311(19) Uani 1 1 d . . . . .
F8 F 0.99421(15) 0.20929(17) 0.97282(7) 0.0690(4) Uani 1 1 d . . . . .
F3 F 1.2206(3) 0.5930(3) 0.7303(3) 0.0566(9) Uani 0.712(9) 1 d D . P B 3
C27 C 0.60510(14) -0.00299(13) 0.76570(8) 0.0251(2) Uani 1 1 d . . . . .
C22 C 0.96960(13) 0.19363(13) 0.67450(8) 0.0239(2) Uani 1 1 d . . . . .
C20 C 0.97811(14) 0.44799(13) 0.72236(8) 0.0250(2) Uani 1 1 d . . . . .
C10 C 0.50093(14) 0.41525(13) 0.63597(8) 0.0259(2) Uani 1 1 d . . . . .
H10 H 0.5440 0.4950 0.6772 0.031 Uiso 1 1 calc R U . . .
C25 C 0.84418(14) 0.12862(15) 0.84556(8) 0.0275(2) Uani 1 1 d . . . . .
C5 C 0.66852(14) 0.53626(14) 0.87145(8) 0.0275(2) Uani 1 1 d . . . . .
H5 H 0.7722 0.5563 0.8680 0.033 Uiso 1 1 calc R U . . .
C15 C 0.22909(14) 0.32851(14) 0.44212(8) 0.0272(2) Uani 1 1 d . . . . .
H15A H 0.1788 0.2350 0.4107 0.033 Uiso 1 1 calc R U . . .
H15B H 0.2868 0.3717 0.4080 0.033 Uiso 1 1 calc R U . . .
C21 C 1.05135(13) 0.33103(13) 0.69826(8) 0.0258(2) Uani 1 1 d . . . . .
H21 H 1.1567 0.3450 0.6980 0.031 Uiso 1 1 calc R U . . .
C14 C 0.47331(15) 0.17552(13) 0.57961(8) 0.0277(2) Uani 1 1 d . . . . .
H14 H 0.4965 0.0873 0.5815 0.033 Uiso 1 1 calc R U . . .
C11 C 0.40309(15) 0.43152(13) 0.57351(8) 0.0275(2) Uani 1 1 d . . . . .
H11 H 0.3810 0.5208 0.5734 0.033 Uiso 1 1 calc R U . . .
C16 C 0.10920(14) 0.41735(14) 0.47058(7) 0.0253(2) Uani 1 1 d . . . . .
C13 C 0.37499(15) 0.18384(13) 0.51487(8) 0.0275(2) Uani 1 1 d . . . . .
H13 H 0.3341 0.1026 0.4742 0.033 Uiso 1 1 calc R U . . .
C3 C 0.45048(14) 0.60420(13) 0.93257(8) 0.0254(2) Uani 1 1 d . . . . .
C26 C 0.73994(15) 0.00267(14) 0.81521(9) 0.0290(2) Uani 1 1 d . . . . .
H26 H 0.7612 -0.0789 0.8284 0.035 Uiso 1 1 calc R U . . .
C2 C 0.36719(14) 0.47762(14) 0.88420(8) 0.0272(2) Uani 1 1 d . . . . .
H2 H 0.2641 0.4534 0.8878 0.033 Uiso 1 1 calc R U . . .
C4 C 0.60568(15) 0.63208(14) 0.92634(8) 0.0283(2) Uani 1 1 d . . . . .
H4 H 0.6666 0.7143 0.9587 0.034 Uiso 1 1 calc R U . . .
C7 C 0.43777(14) 0.86009(13) 0.99687(8) 0.0260(2) Uani 1 1 d . . . . .
C1 C 0.43809(14) 0.38728(14) 0.83047(8) 0.0267(2) Uani 1 1 d . . . . .
H1 H 0.3803 0.3032 0.7982 0.032 Uiso 1 1 calc R U . . .
C12 C 0.33772(13) 0.31450(13) 0.51094(8) 0.0240(2) Uani 1 1 d . . . . .
C19 C 1.07577(16) 0.59537(15) 0.74486(10) 0.0349(3) Uani 1 1 d D . . . .
C18 C -0.12692(14) 0.43951(14) 0.52634(8) 0.0276(2) Uani 1 1 d . . . . .
H18 H -0.2119 0.3982 0.5438 0.033 Uiso 1 1 calc R U . . .
C23 C 1.06129(15) 0.07108(14) 0.65383(9) 0.0289(2) Uani 1 1 d D . . . .
C9 C 0.55859(16) 0.93543(14) 1.05523(8) 0.0288(2) Uani 1 1 d . . . . .
H9 H 0.5987 0.8929 1.0927 0.035 Uiso 1 1 calc R U . . .
C17 C -0.01889(15) 0.35759(14) 0.49744(8) 0.0278(2) Uani 1 1 d . . . . .
H17 H -0.0321 0.2621 0.4960 0.033 Uiso 1 1 calc R U . . .
C28 C 0.49531(16) -0.14392(14) 0.73523(9) 0.0314(3) Uani 1 1 d . . . . .
C8 C 0.37949(15) 0.92629(14) 0.94159(8) 0.0286(2) Uani 1 1 d . . . . .
H8 H 0.2985 0.8777 0.9022 0.034 Uiso 1 1 calc R U . . .
C6 C 0.37601(15) 0.70733(14) 0.99040(8) 0.0287(2) Uani 1 1 d . . . . .
H6A H 0.2664 0.6898 0.9730 0.034 Uiso 1 1 calc R U . . .
H6B H 0.3928 0.6909 1.0427 0.034 Uiso 1 1 calc R U . . .
C24 C 0.99003(17) 0.12499(19) 0.90025(10) 0.0377(3) Uani 1 1 d . . . . .
F4B F 1.194(2) 0.115(3) 0.6364(19) 0.0444(4) Uani 0.045(4) 1 d D . P A 2
F5B F 0.986(3) -0.029(3) 0.5922(14) 0.0516(4) Uani 0.045(4) 1 d D . P A 2
F6B F 1.073(3) 0.022(3) 0.7159(12) 0.0409(3) Uani 0.045(4) 1 d D . P A 2
F3B F 1.1897(7) 0.5971(8) 0.6986(6) 0.0566(9) Uani 0.288(9) 1 d D . P B 4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0040 0.0020 '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'
F F 0.0190 0.0110 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0070 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0120 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2970 1.5350 '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
_geom_angle_publ_flag
O4 Zn01 O1 172.40(3) . . ?
O4 Zn01 N2 90.13(4) . . ?
O1 Zn01 N2 92.29(4) . . ?
O4 Zn01 N1 97.40(4) . . ?
O1 Zn01 N1 89.57(4) . . ?
N2 Zn01 N1 95.01(4) . . ?
O4 Zn01 O2 88.13(4) . . ?
O1 Zn01 O2 84.50(4) . . ?
N2 Zn01 O2 94.16(4) . . ?
N1 Zn01 O2 169.27(4) . . ?
O4 Zn01 O3 85.45(4) . . ?
O1 Zn01 O3 91.70(4) . . ?
N2 Zn01 O3 174.57(4) . . ?
N1 Zn01 O3 88.70(4) . . ?
O2 Zn01 O3 82.56(4) . . ?
C25 O3 Zn01 123.24(9) . . ?
C20 O1 Zn01 124.86(8) . . ?
C22 O2 Zn01 121.00(8) . . ?
C27 O4 Zn01 125.68(8) . . ?
C5 N1 C1 117.65(11) . . ?
C5 N1 Zn01 121.27(8) . . ?
C1 N1 Zn01 121.08(9) . . ?
C14 N2 C10 117.59(11) . . ?
C14 N2 Zn01 123.63(8) . . ?
C10 N2 Zn01 118.79(9) . . ?
O4 C27 C26 129.06(12) . . ?
O4 C27 C28 112.35(12) . . ?
C26 C27 C28 118.59(11) . . ?
O2 C22 C21 128.68(11) . . ?
O2 C22 C23 113.81(11) . . ?
C21 C22 C23 117.51(11) . . ?
O1 C20 C21 128.67(12) . . ?
O1 C20 C19 113.50(11) . . ?
C21 C20 C19 117.80(11) . . ?
N2 C10 C11 122.66(12) . . ?
N2 C10 H10 118.7 . . ?
C11 C10 H10 118.7 . . ?
O3 C25 C26 128.82(12) . . ?
O3 C25 C24 113.53(13) . . ?
C26 C25 C24 117.65(12) . . ?
N1 C5 C4 123.03(12) . . ?
N1 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
C12 C15 C16 111.80(10) . . ?
C12 C15 H15A 109.3 . . ?
C16 C15 H15A 109.3 . . ?
C12 C15 H15B 109.3 . . ?
C16 C15 H15B 109.3 . . ?
H15A C15 H15B 107.9 . . ?
C22 C21 C20 121.23(11) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
N2 C14 C13 122.97(11) . . ?
N2 C14 H14 118.5 . . ?
C13 C14 H14 118.5 . . ?
C10 C11 C12 119.95(11) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C18 C16 C17 118.70(11) 2_566 . ?
C18 C16 C15 121.11(12) 2_566 . ?
C17 C16 C15 120.14(12) . . ?
C14 C13 C12 119.62(12) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C2 C3 C4 117.31(11) . . ?
C2 C3 C6 121.31(11) . . ?
C4 C3 C6 121.38(12) . . ?
C27 C26 C25 121.29(11) . . ?
C27 C26 H26 119.4 . . ?
C25 C26 H26 119.4 . . ?
C3 C2 C1 119.80(12) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C5 C4 C3 119.50(13) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C9 C7 C8 118.45(12) . . ?
C9 C7 C6 121.09(12) . . ?
C8 C7 C6 120.38(12) . . ?
N1 C1 C2 122.65(13) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C11 C12 C13 117.22(12) . . ?
C11 C12 C15 121.25(11) . . ?
C13 C12 C15 121.53(12) . . ?
F1 C19 F2 106.31(13) . . ?
F1 C19 F3 113.7(2) . . ?
F2 C19 F3 101.0(3) . . ?
F1 C19 F3B 93.4(4) . . ?
F2 C19 F3B 124.0(4) . . ?
F1 C19 C20 112.30(12) . . ?
F2 C19 C20 109.35(12) . . ?
F3 C19 C20 113.26(16) . . ?
F3B C19 C20 110.3(3) . . ?
C17 C18 C16 120.70(12) . 2_566 ?
C17 C18 H18 119.6 . . ?
C16 C18 H18 119.6 2_566 . ?
F4B C23 F6B 112.2(11) . . ?
F4B C23 F5B 108.7(11) . . ?
F6B C23 F5B 109.2(11) . . ?
F6 C23 F5 107.07(12) . . ?
F6 C23 F4 106.92(12) . . ?
F5 C23 F4 107.38(12) . . ?
F4B C23 C22 110.6(11) . . ?
F6B C23 C22 106.1(10) . . ?
F5B C23 C22 110.0(12) . . ?
F6 C23 C22 110.91(10) . . ?
F5 C23 C22 110.61(11) . . ?
F4 C23 C22 113.64(11) . . ?
C7 C9 C8 120.94(12) . 2_677 ?
C7 C9 H9 119.5 . . ?
C8 C9 H9 119.5 2_677 . ?
C18 C17 C16 120.60(12) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
F12 C28 F11 107.50(12) . . ?
F12 C28 F10 107.12(13) . . ?
F11 C28 F10 106.87(12) . . ?
F12 C28 C27 110.95(11) . . ?
F11 C28 C27 114.18(13) . . ?
F10 C28 C27 109.91(11) . . ?
C9 C8 C7 120.61(13) 2_677 . ?
C9 C8 H8 119.7 2_677 . ?
C7 C8 H8 119.7 . . ?
C7 C6 C3 112.63(11) . . ?
C7 C6 H6A 109.1 . . ?
C3 C6 H6A 109.1 . . ?
C7 C6 H6B 109.1 . . ?
C3 C6 H6B 109.1 . . ?
H6A C6 H6B 107.8 . . ?
F9 C24 F8 107.36(15) . . ?
F9 C24 F7 106.78(13) . . ?
F8 C24 F7 107.09(16) . . ?
F9 C24 C25 114.29(14) . . ?
F8 C24 C25 110.88(12) . . ?
F7 C24 C25 110.12(12) . . ?
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
Zn01 O4 2.0483(10) . ?
Zn01 O1 2.0779(11) . ?
Zn01 N2 2.1032(12) . ?
Zn01 N1 2.1040(11) . ?
Zn01 O2 2.1464(10) . ?
Zn01 O3 2.1470(11) . ?
F12 C28 1.3279(16) . ?
F1 C19 1.3163(17) . ?
O3 C25 1.2457(16) . ?
F6 C23 1.3258(17) . ?
O1 C20 1.2521(15) . ?
O2 C22 1.2519(15) . ?
F11 C28 1.3336(16) . ?
O4 C27 1.2516(15) . ?
F4 C23 1.3349(16) . ?
F10 C28 1.3397(18) . ?
F7 C24 1.3329(19) . ?
F9 C24 1.3208(19) . ?
F5 C23 1.3282(18) . ?
F2 C19 1.334(2) . ?
N1 C5 1.3370(18) . ?
N1 C1 1.3446(16) . ?
N2 C14 1.3374(17) . ?
N2 C10 1.3467(15) . ?
F8 C24 1.325(2) . ?
F3 C19 1.342(3) . ?
C27 C26 1.3910(19) . ?
C27 C28 1.5309(19) . ?
C22 C21 1.3940(17) . ?
C22 C23 1.5372(17) . ?
C20 C21 1.3956(17) . ?
C20 C19 1.5314(19) . ?
C10 C11 1.3808(18) . ?
C10 H10 0.9300 . ?
C25 C26 1.399(2) . ?
C25 C24 1.5402(19) . ?
C5 C4 1.3868(17) . ?
C5 H5 0.9300 . ?
C15 C12 1.5106(18) . ?
C15 C16 1.5138(16) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C21 H21 0.9300 . ?
C14 C13 1.3841(19) . ?
C14 H14 0.9300 . ?
C11 C12 1.3882(19) . ?
C11 H11 0.9300 . ?
C16 C18 1.3911(18) 2_566 ?
C16 C17 1.3961(18) . ?
C13 C12 1.3920(16) . ?
C13 H13 0.9300 . ?
C3 C2 1.3874(19) . ?
C3 C4 1.3943(18) . ?
C3 C6 1.5157(17) . ?
C26 H26 0.9300 . ?
C2 C1 1.3879(17) . ?
C2 H2 0.9300 . ?
C4 H4 0.9300 . ?
C7 C9 1.390(2) . ?
C7 C8 1.3927(18) . ?
C7 C6 1.5113(19) . ?
C1 H1 0.9300 . ?
C19 F3B 1.363(7) . ?
C18 C17 1.3905(17) . ?
C18 C16 1.3911(18) 2_566 ?
C18 H18 0.9300 . ?
C23 F4B 1.297(12) . ?
C23 F6B 1.300(12) . ?
C23 F5B 1.315(12) . ?
C9 C8 1.392(2) 2_677 ?
C9 H9 0.9300 . ?
C17 H17 0.9300 . ?
C8 C9 1.392(2) 2_677 ?
C8 H8 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
