#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:01:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180119 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/17/7101712.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_7101712
loop_
_publ_author_name
'Goryunkov, Alexey A'
'Ioffe, Ilya N'
'Khavrel, Pavel A'
'Avdoshenko, Stanislav M'
'Markov, Vitaly Yu'
'Mazej, Z'
'Sidorov, Lev N'
'Troyanov, Sergey I'
_publ_section_title
;
 The former "C60F16" is actually a double-caged adduct: (C60F16)(C60).
;
_journal_issue                   7
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              704
_journal_page_last               706
_journal_paper_doi               10.1039/b615457c
_journal_year                    2007
_chemical_formula_moiety         '(C60F16)(C60) 2C7H8 2C6..'
_chemical_formula_sum            'C146 H16 F16'
_chemical_formula_weight         2073.59
_chemical_name_systematic
;
?
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 106.687(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.1816(5)
_cell_length_b                   21.1070(10)
_cell_length_c                   18.2770(10)
_cell_measurement_reflns_used    9000
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      6
_cell_volume                     4131.9(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.513
_diffrn_measured_fraction_theta_max 0.513
_diffrn_measurement_device_type  MAR345
_diffrn_radiation_monochromator  Cu(113)
_diffrn_radiation_source         'BL14.2, PSF, BESSY, Berlin, Germany'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.91000
_diffrn_reflns_av_R_equivalents  0.0903
_diffrn_reflns_av_sigmaI/netI    0.0692
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12501
_diffrn_reflns_theta_full        33.55
_diffrn_reflns_theta_max         33.5
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    0.122
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2072
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.416
_refine_diff_density_min         -0.292
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       0.0022(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   1.355
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     706
_refine_ls_number_reflns         4094
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.355
_refine_ls_R_factor_all          0.1103
_refine_ls_R_factor_gt           0.0756
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0850P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1815
_refine_ls_wR_factor_ref         0.1944
_reflns_number_gt                2753
_reflns_number_total             4094
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b615457c.txt
_cod_data_source_block           fgp17c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/m
_cod_database_code               7101712
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
F1 F 0.3753(3) 0.17310(15) 0.4431(2) 0.0748(10) Uani 1 1 d .
F2 F 0.5309(3) 0.08663(15) 0.5004(2) 0.0750(10) Uani 1 1 d .
F3 F 0.4177(3) 0.02799(16) 0.5776(2) 0.0790(11) Uani 1 1 d .
F4 F 0.2184(3) 0.09000(15) 0.5515(2) 0.0791(11) Uani 1 1 d .
F5 F 0.1788(3) 0.06220(16) 0.6744(2) 0.0848(12) Uani 1 1 d .
F6 F 0.0686(3) 0.16639(16) 0.6526(2) 0.0791(11) Uani 1 1 d .
F7 F 0.1018(3) 0.19129(17) 0.7909(2) 0.0871(12) Uani 1 1 d .
F8 F 0.3372(3) 0.03538(17) 0.7888(2) 0.0884(12) Uani 1 1 d .
C1 C 0.2500(5) 0.2179(3) 0.6436(4) 0.0677(18) Uani 1 1 d .
C2 C 0.3133(5) 0.1839(3) 0.6016(4) 0.0664(18) Uani 1 1 d .
C3 C 0.3766(5) 0.2167(3) 0.5584(4) 0.0666(18) Uani 1 1 d .
C4 C 0.4548(5) 0.1908(3) 0.5141(4) 0.0625(17) Uani 1 1 d .
C5 C 0.5151(6) 0.1288(3) 0.5554(4) 0.0696(19) Uani 1 1 d .
C6 C 0.4400(6) 0.0896(3) 0.6083(4) 0.071(2) Uani 1 1 d .
C7 C 0.3130(6) 0.1161(3) 0.6118(4) 0.0640(17) Uani 1 1 d .
C8 C 0.2656(6) 0.1098(3) 0.6865(4) 0.0674(18) Uani 1 1 d .
C9 C 0.1955(6) 0.1760(3) 0.6911(4) 0.076(2) Uani 1 1 d .
C10 C 0.2032(5) 0.2106(3) 0.7670(4) 0.0698(19) Uani 1 1 d .
C11 C 0.3691(6) 0.0936(3) 0.7603(4) 0.075(2) Uani 1 1 d .
C12 C 0.3915(6) 0.1422(3) 0.8251(4) 0.0700(19) Uani 1 1 d .
C13 C 0.3218(6) 0.1941(4) 0.8258(4) 0.0703(18) Uani 1 1 d .
C14 C 0.3780(9) 0.2500 0.8665(6) 0.076(3) Uani 1 2 d S
C15 C 0.5038(10) 0.2500 0.9093(5) 0.071(3) Uani 1 2 d S
C16 C 0.5798(6) 0.1950(4) 0.9097(4) 0.0717(19) Uani 1 1 d .
C17 C 0.7010(6) 0.2163(3) 0.9084(4) 0.0721(19) Uani 1 1 d .
C18 C 0.7653(6) 0.1830(3) 0.8649(4) 0.0738(19) Uani 1 1 d .
C19 C 0.8322(5) 0.2170(3) 0.8191(4) 0.0696(19) Uani 1 1 d .
C20 C 0.8146(5) 0.1832(3) 0.7488(5) 0.0706(19) Uani 1 1 d .
C21 C 0.7953(6) 0.2159(3) 0.6796(5) 0.0680(19) Uani 1 1 d .
C22 C 0.7089(6) 0.1949(3) 0.6118(4) 0.0629(17) Uani 1 1 d .
C23 C 0.6372(6) 0.1430(3) 0.6126(4) 0.0633(17) Uani 1 1 d .
C24 C 0.6496(6) 0.1107(3) 0.6835(5) 0.0666(18) Uani 1 1 d .
C25 C 0.7382(6) 0.1287(3) 0.7491(4) 0.0696(19) Uani 1 1 d .
C26 C 0.7089(6) 0.1288(3) 0.8216(4) 0.0727(19) Uani 1 1 d .
C27 C 0.5898(7) 0.1085(3) 0.8209(4) 0.0700(19) Uani 1 1 d .
C28 C 0.5252(7) 0.1427(3) 0.8656(5) 0.079(2) Uani 1 1 d .
C29 C 0.5013(6) 0.0870(3) 0.7517(5) 0.075(2) Uani 1 1 d .
C30 C 0.5316(6) 0.0878(3) 0.6852(5) 0.0693(18) Uani 1 1 d .
C31 C 0.5367(7) 0.2500 0.5031(5) 0.063(2) Uani 1 2 d S
C32 C 0.6715(8) 0.2500 0.5553(6) 0.071(3) Uani 1 2 d S
C33 C 0.5832(8) 0.2500 0.4294(6) 0.071(3) Uani 1 2 d S
C34 C 0.7245(7) 0.2500 0.4851(5) 0.063(2) Uani 1 2 d S
C35 C 0.8054(6) 0.3067(4) 0.4771(4) 0.0715(19) Uani 1 1 d .
C36 C 0.9299(6) 0.2845(3) 0.4830(4) 0.0730(19) Uani 1 1 d .
C37 C 1.0074(6) 0.3170(4) 0.4485(5) 0.084(2) Uani 1 1 d .
C38 C 1.0869(6) 0.2832(3) 0.4108(5) 0.090(2) Uani 1 1 d .
C39 C 1.0878(7) 0.3172(5) 0.3433(5) 0.096(2) Uani 1 1 d .
C40 C 1.0881(6) 0.2845(4) 0.2783(6) 0.089(2) Uani 1 1 d .
C41 C 1.0113(8) 0.3055(4) 0.2048(5) 0.092(2) Uani 1 1 d .
C42 C 0.9613(13) 0.2500 0.1583(8) 0.092(3) Uani 1 2 d S
C43 C 0.8434(12) 0.2500 0.1094(6) 0.085(3) Uani 1 2 d S
C44 C 0.7666(8) 0.3058(4) 0.1045(5) 0.093(2) Uani 1 1 d .
C45 C 0.6397(8) 0.2845(3) 0.0946(4) 0.091(2) Uani 1 1 d .
C46 C 0.5617(7) 0.3170(4) 0.1285(5) 0.095(2) Uani 1 1 d .
C47 C 0.4839(6) 0.2827(3) 0.1658(5) 0.087(2) Uani 1 1 d .
C48 C 0.4817(6) 0.3159(4) 0.2351(5) 0.082(2) Uani 1 1 d .
C49 C 0.4815(6) 0.2850(3) 0.3000(5) 0.077(2) Uani 1 1 d .
C50 C 0.5540(6) 0.3072(3) 0.3745(4) 0.0709(19) Uani 1 1 d .
C51 C 0.6313(7) 0.3573(3) 0.3806(4) 0.0705(19) Uani 1 1 d .
C52 C 0.7594(6) 0.3578(3) 0.4326(4) 0.075(2) Uani 1 1 d .
C53 C 0.8390(7) 0.3917(3) 0.3941(5) 0.076(2) Uani 1 1 d .
C54 C 0.9603(7) 0.3721(4) 0.4032(5) 0.084(2) Uani 1 1 d .
C55 C 1.0101(8) 0.3729(4) 0.3389(6) 0.091(2) Uani 1 1 d .
C56 C 0.9370(8) 0.3922(4) 0.2685(6) 0.086(2) Uani 1 1 d .
C57 C 0.9369(8) 0.3587(4) 0.2004(5) 0.090(2) Uani 1 1 d .
C58 C 0.8125(9) 0.3584(4) 0.1490(5) 0.087(2) Uani 1 1 d .
C59 C 0.7323(9) 0.3925(4) 0.1855(6) 0.094(2) Uani 1 1 d .
C60 C 0.6095(8) 0.3720(4) 0.1748(5) 0.089(2) Uani 1 1 d .
C61 C 0.5593(8) 0.3725(4) 0.2391(5) 0.086(2) Uani 1 1 d .
C62 C 0.6328(7) 0.3912(3) 0.3110(5) 0.080(2) Uani 1 1 d .
C63 C 0.7615(8) 0.4125(3) 0.3213(6) 0.086(2) Uani 1 1 d .
C64 C 0.8101(9) 0.4130(3) 0.2593(6) 0.089(2) Uani 1 1 d .
C65 C 0.8933(5) 0.0033(3) 0.7724(3) 0.111(3) Uani 1 1 d G
C66 C 0.7892(6) -0.0357(2) 0.7607(4) 0.121(3) Uani 1 1 d G
H66 H 0.7679 -0.0533 0.8031 0.145 Uiso 1 1 calc R
C67 C 0.7165(5) -0.0490(2) 0.6868(5) 0.121(3) Uani 1 1 d G
H67 H 0.6454 -0.0756 0.6788 0.146 Uiso 1 1 calc R
C68 C 0.7477(5) -0.0233(2) 0.6247(4) 0.113(3) Uani 1 1 d G
H68 H 0.6980 -0.0324 0.5742 0.136 Uiso 1 1 calc R
C69 C 0.8517(5) 0.0157(2) 0.6365(4) 0.111(3) Uani 1 1 d G
C70 C 0.9245(4) 0.0290(2) 0.7103(4) 0.108(3) Uani 1 1 d G
H70 H 0.9956 0.0556 0.7184 0.130 Uiso 1 1 calc R
C71 C 0.9668(8) 0.0151(4) 0.8486(4) 0.102(5) Uani 0.50 1 d PG
H71A H 0.9129 0.0298 0.8790 0.153 Uiso 0.50 1 calc PR
H71B H 1.0292 0.0477 0.8485 0.153 Uiso 0.50 1 calc PR
H71C H 1.0091 -0.0240 0.8709 0.153 Uiso 0.50 1 calc PR
C71A C 0.8901(8) 0.0353(4) 0.5768(4) 0.082(4) Uani 0.50 1 d PG
H71D H 0.9606 0.0092 0.5731 0.123 Uiso 0.50 1 calc PR
H71E H 0.9163 0.0797 0.5842 0.123 Uiso 0.50 1 calc PR
H71F H 0.8214 0.0312 0.5296 0.123 Uiso 0.50 1 calc PR
C72 C 0.4500(14) 0.0179(8) 1.0088(10) 0.234(6) Uiso 1 1 d .
C73 C 0.315(2) -0.0007(11) 0.9961(11) 0.288(8) Uiso 1 1 d .
C74 C 0.256(3) 0.062(2) 1.0086(17) 0.411(15) Uiso 1 1 d .
C75 C 0.212(3) 0.1284(17) 1.0053(14) 0.354(12) Uiso 1 1 d .
C76 C 0.095(2) 0.1595(12) 1.0078(12) 0.322(10) Uiso 1 1 d .
C77 C 0.1432(13) 0.2191(8) 1.0093(8) 0.249(8) Uiso 1 1 d .
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'
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
C1 C1 C2 121.2(4) 4_565 .
C1 C1 C9 126.5(4) 4_565 .
C2 C1 C9 112.1(5) . .
C1 C2 C3 118.9(6) . .
C1 C2 C7 115.0(6) . .
C3 C2 C7 126.0(6) . .
C2 C3 C3 119.9(4) . 4_565
C2 C3 C4 128.0(6) . .
C3 C3 C4 112.0(3) 4_565 .
F1 C4 C3 107.1(5) . .
F1 C4 C5 107.2(5) . .
C3 C4 C5 106.8(5) . .
F1 C4 C31 109.1(6) . .
C3 C4 C31 103.6(5) . .
C5 C4 C31 122.2(5) . .
F2 C5 C23 110.7(5) . .
F2 C5 C4 108.2(5) . .
C23 C5 C4 110.5(5) . .
F2 C5 C6 106.9(5) . .
C23 C5 C6 101.8(5) . .
C4 C5 C6 118.4(5) . .
F3 C6 C30 110.4(5) . .
F3 C6 C7 106.9(5) . .
C30 C6 C7 111.2(6) . .
F3 C6 C5 106.8(5) . .
C30 C6 C5 103.7(5) . .
C7 C6 C5 117.7(5) . .
F4 C7 C2 108.5(5) . .
F4 C7 C6 108.6(5) . .
C2 C7 C6 108.5(5) . .
F4 C7 C8 106.0(5) . .
C2 C7 C8 101.9(5) . .
C6 C7 C8 122.5(6) . .
F5 C8 C11 107.3(5) . .
F5 C8 C7 108.4(5) . .
C11 C8 C7 114.5(5) . .
F5 C8 C9 108.1(5) . .
C11 C8 C9 113.6(6) . .
C7 C8 C9 104.8(5) . .
F6 C9 C1 108.6(5) . .
F6 C9 C10 107.7(5) . .
C1 C9 C10 108.4(5) . .
F6 C9 C8 106.6(5) . .
C1 C9 C8 101.4(5) . .
C10 C9 C8 123.5(6) . .
F7 C10 C13 110.1(5) . .
F7 C10 C9 107.7(5) . .
C13 C10 C9 110.2(5) . .
F7 C10 C10 107.1(3) . 4_565
C13 C10 C10 103.5(4) . 4_565
C9 C10 C10 118.1(4) . 4_565
F8 C11 C12 107.3(5) . .
F8 C11 C29 108.0(5) . .
C12 C11 C29 101.0(6) . .
F8 C11 C8 108.0(5) . .
C12 C11 C8 116.3(6) . .
C29 C11 C8 115.7(6) . .
C13 C12 C28 119.9(7) . .
C13 C12 C11 125.8(7) . .
C28 C12 C11 108.2(6) . .
C12 C13 C14 120.2(6) . .
C12 C13 C10 125.5(7) . .
C14 C13 C10 110.4(7) . .
C15 C14 C13 120.6(5) . 4_565
C15 C14 C13 120.6(5) . .
C13 C14 C13 110.1(9) 4_565 .
C14 C15 C16 120.0(5) . 4_565
C14 C15 C16 120.0(5) . .
C16 C15 C16 107.7(9) 4_565 .
C28 C16 C17 119.8(6) . .
C28 C16 C15 118.3(6) . .
C17 C16 C15 107.8(7) . .
C18 C17 C17 120.1(4) . 4_565
C18 C17 C16 119.4(6) . .
C17 C17 C16 108.3(4) 4_565 .
C17 C18 C26 119.8(6) . .
C17 C18 C19 120.5(6) . .
C26 C18 C19 107.1(6) . .
C19 C19 C20 119.9(4) 4_565 .
C19 C19 C18 119.4(4) 4_565 .
C20 C19 C18 107.9(6) . .
C21 C20 C19 120.6(7) . .
C21 C20 C25 117.4(6) . .
C19 C20 C25 109.0(6) . .
C20 C21 C22 121.9(6) . .
C20 C21 C21 119.5(4) . 4_565
C22 C21 C21 108.4(4) . 4_565
C23 C22 C21 120.1(6) . .
C23 C22 C32 124.9(6) . .
C21 C22 C32 109.9(6) . .
C22 C23 C24 119.2(6) . .
C22 C23 C5 125.2(6) . .
C24 C23 C5 111.7(6) . .
C25 C24 C30 121.4(7) . .
C25 C24 C23 121.0(6) . .
C30 C24 C23 109.4(6) . .
C24 C25 C20 120.1(7) . .
C24 C25 C26 120.1(6) . .
C20 C25 C26 107.0(7) . .
C27 C26 C18 121.3(7) . .
C27 C26 C25 117.1(7) . .
C18 C26 C25 109.0(6) . .
C26 C27 C28 118.5(7) . .
C26 C27 C29 121.3(6) . .
C28 C27 C29 109.2(6) . .
C16 C28 C27 121.2(7) . .
C16 C28 C12 120.7(6) . .
C27 C28 C12 108.4(7) . .
C30 C29 C27 120.0(6) . .
C30 C29 C11 125.9(7) . .
C27 C29 C11 108.7(7) . .
C29 C30 C24 120.0(7) . .
C29 C30 C6 124.7(6) . .
C24 C30 C6 111.4(7) . .
C32 C31 C33 91.5(6) . .
C32 C31 C4 114.7(5) . .
C33 C31 C4 116.7(5) . .
C32 C31 C4 114.7(5) . 4_565
C33 C31 C4 116.7(5) . 4_565
C4 C31 C4 103.1(6) . 4_565
C22 C32 C22 98.8(8) 4_565 .
C22 C32 C31 116.7(5) 4_565 .
C22 C32 C31 116.7(5) . .
C22 C32 C34 117.4(5) 4_565 .
C22 C32 C34 117.4(5) . .
C31 C32 C34 91.5(7) . .
C50 C33 C50 103.0(8) 4_565 .
C50 C33 C31 119.6(4) 4_565 .
C50 C33 C31 119.6(4) . .
C50 C33 C34 113.3(5) 4_565 .
C50 C33 C34 113.3(5) . .
C31 C33 C34 87.9(6) . .
C35 C34 C35 102.8(7) 4_565 .
C35 C34 C32 116.9(5) 4_565 .
C35 C34 C32 116.9(5) . .
C35 C34 C33 115.9(5) 4_565 .
C35 C34 C33 115.9(5) . .
C32 C34 C33 89.1(6) . .
C52 C35 C36 119.5(6) . .
C52 C35 C34 123.0(6) . .
C36 C35 C34 108.8(6) . .
C37 C36 C35 121.3(6) . .
C37 C36 C36 119.6(4) . 4_565
C35 C36 C36 109.0(4) . 4_565
C36 C37 C54 119.2(6) . .
C36 C37 C38 121.1(7) . .
C54 C37 C38 107.2(7) . .
C38 C38 C39 120.1(5) 4_565 .
C38 C38 C37 119.3(4) 4_565 .
C39 C38 C37 108.6(7) . .
C40 C39 C38 119.7(9) . .
C40 C39 C55 120.7(9) . .
C38 C39 C55 107.6(8) . .
C39 C40 C41 120.1(8) . .
C39 C40 C40 120.2(5) . 4_565
C41 C40 C40 107.9(5) . 4_565
C57 C41 C40 119.3(8) . .
C57 C41 C42 119.5(8) . .
C40 C41 C42 108.7(9) . .
C43 C42 C41 121.2(6) . .
C43 C42 C41 121.2(6) . 4_565
C41 C42 C41 106.7(12) . 4_565
C42 C43 C44 119.1(6) . 4_565
C42 C43 C44 119.1(6) . .
C44 C43 C44 109.2(11) 4_565 .
C58 C44 C43 120.2(8) . .
C58 C44 C45 120.4(8) . .
C43 C44 C45 107.4(9) . .
C46 C45 C44 120.7(7) . .
C46 C45 C45 119.6(5) . 4_565
C44 C45 C45 108.0(5) . 4_565
C45 C46 C60 119.0(7) . .
C45 C46 C47 120.3(8) . .
C60 C46 C47 107.3(7) . .
C47 C47 C46 120.1(5) 4_565 .
C47 C47 C48 118.8(5) 4_565 .
C46 C47 C48 109.4(7) . .
C49 C48 C47 122.4(8) . .
C49 C48 C61 119.9(7) . .
C47 C48 C61 106.2(7) . .
C48 C49 C50 121.8(7) . .
C48 C49 C49 118.8(5) . 4_565
C50 C49 C49 108.8(4) . 4_565
C51 C50 C49 120.1(6) . .
C51 C50 C33 123.3(7) . .
C49 C50 C33 108.4(7) . .
C50 C51 C62 118.6(7) . .
C50 C51 C52 122.6(7) . .
C62 C51 C52 107.8(7) . .
C35 C52 C53 119.7(6) . .
C35 C52 C51 120.7(6) . .
C53 C52 C51 107.7(7) . .
C54 C53 C63 120.9(7) . .
C54 C53 C52 120.4(7) . .
C63 C53 C52 107.8(7) . .
C53 C54 C37 119.7(7) . .
C53 C54 C55 119.7(8) . .
C37 C54 C55 108.5(7) . .
C56 C55 C54 120.2(8) . .
C56 C55 C39 118.5(9) . .
C54 C55 C39 108.2(8) . .
C55 C56 C57 121.3(8) . .
C55 C56 C64 119.9(8) . .
C57 C56 C64 107.0(9) . .
C41 C57 C56 120.0(9) . .
C41 C57 C58 119.1(8) . .
C56 C57 C58 109.3(8) . .
C44 C58 C57 120.9(8) . .
C44 C58 C59 119.5(8) . .
C57 C58 C59 107.9(8) . .
C60 C59 C64 121.8(8) . .
C60 C59 C58 119.6(9) . .
C64 C59 C58 106.9(8) . .
C59 C60 C61 118.7(8) . .
C59 C60 C46 120.9(8) . .
C61 C60 C46 108.6(8) . .
C62 C61 C60 120.7(8) . .
C62 C61 C48 117.3(7) . .
C60 C61 C48 108.4(8) . .
C61 C62 C51 122.0(7) . .
C61 C62 C63 119.9(8) . .
C51 C62 C63 107.1(7) . .
C64 C63 C53 119.1(8) . .
C64 C63 C62 119.8(8) . .
C53 C63 C62 109.5(7) . .
C63 C64 C59 119.1(8) . .
C63 C64 C56 120.2(9) . .
C59 C64 C56 109.0(8) . .
C66 C65 C70 120.0 . .
C66 C65 C71 118.6 . .
C70 C65 C71 121.4 . .
C65 C66 C67 120.0 . .
C66 C67 C68 120.0 . .
C67 C68 C69 120.0 . .
C71A C69 C68 120.2 . .
C71A C69 C70 119.4 . .
C68 C69 C70 120.0 . .
C69 C70 C65 120.0 . .
C72 C72 C73 129(2) 3_657 .
C72 C73 C74 101.9(19) . .
C75 C74 C73 165(3) . .
C76 C75 C74 135(3) . .
C77 C76 C75 94(2) . .
C77 C77 C76 157.1(13) 4_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
F1 C4 1.397(7) .
F2 C5 1.391(7) .
F3 C6 1.409(6) .
F4 C7 1.402(6) .
F5 C8 1.370(6) .
F6 C9 1.406(6) .
F7 C10 1.387(6) .
F8 C11 1.420(7) .
C1 C1 1.356(11) 4_565
C1 C2 1.383(8) .
C1 C9 1.487(8) .
C2 C3 1.387(8) .
C2 C7 1.444(8) .
C3 C3 1.406(11) 4_565
C3 C4 1.458(8) .
C4 C5 1.565(8) .
C4 C31 1.595(8) .
C5 C23 1.492(8) .
C5 C6 1.670(8) .
C6 C30 1.483(9) .
C6 C7 1.546(8) .
C7 C8 1.605(8) .
C8 C11 1.543(9) .
C8 C9 1.615(9) .
C9 C10 1.549(9) .
C10 C13 1.489(9) .
C10 C10 1.664(12) 4_565
C11 C12 1.532(9) .
C11 C29 1.537(9) .
C12 C13 1.348(8) .
C12 C28 1.465(9) .
C13 C14 1.439(8) .
C14 C15 1.399(13) .
C14 C13 1.439(8) 4_565
C15 C16 1.438(8) 4_565
C15 C16 1.438(8) .
C16 C28 1.398(9) .
C16 C17 1.435(8) .
C17 C18 1.405(8) .
C17 C17 1.423(12) 4_565
C18 C26 1.430(9) .
C18 C19 1.460(8) .
C19 C19 1.395(12) 4_565
C19 C20 1.432(9) .
C20 C21 1.403(9) .
C20 C25 1.433(9) .
C21 C22 1.407(8) .
C21 C21 1.439(12) 4_565
C22 C23 1.361(8) .
C22 C32 1.532(8) .
C23 C24 1.435(8) .
C24 C25 1.371(9) .
C24 C30 1.414(9) .
C25 C26 1.455(9) .
C26 C27 1.395(9) .
C27 C28 1.432(9) .
C27 C29 1.438(9) .
C29 C30 1.352(9) .
C31 C32 1.535(11) .
C31 C33 1.578(12) .
C31 C4 1.595(7) 4_565
C32 C22 1.532(8) 4_565
C32 C34 1.561(12) .
C33 C50 1.543(8) 4_565
C33 C50 1.543(8) .
C33 C34 1.616(12) .
C34 C35 1.532(8) 4_565
C34 C35 1.532(8) .
C35 C52 1.358(9) .
C35 C36 1.444(8) .
C36 C37 1.390(8) .
C36 C36 1.457(12) 4_565
C37 C54 1.437(9) .
C37 C38 1.459(9) .
C38 C38 1.401(14) 4_565
C38 C39 1.431(10) .
C39 C40 1.375(10) .
C39 C55 1.450(10) .
C40 C41 1.441(10) .
C40 C40 1.456(15) 4_565
C41 C57 1.385(10) .
C41 C42 1.461(10) .
C42 C43 1.364(14) .
C42 C41 1.461(10) 4_565
C43 C44 1.444(9) 4_565
C43 C44 1.444(9) .
C44 C58 1.385(10) .
C44 C45 1.449(10) .
C45 C46 1.388(9) .
C45 C45 1.458(14) 4_565
C46 C60 1.445(10) .
C46 C47 1.445(9) .
C47 C47 1.381(14) 4_565
C47 C48 1.453(9) .
C48 C49 1.354(9) .
C48 C61 1.466(10) .
C49 C50 1.449(9) .
C49 C49 1.478(13) 4_565
C50 C51 1.349(8) .
C51 C62 1.464(9) .
C51 C52 1.474(9) .
C52 C53 1.469(9) .
C53 C54 1.381(9) .
C53 C63 1.433(10) .
C54 C55 1.438(10) .
C55 C56 1.373(10) .
C56 C57 1.431(10) .
C56 C64 1.448(10) .
C57 C58 1.438(10) .
C58 C59 1.453(10) .
C59 C60 1.398(10) .
C59 C64 1.446(10) .
C60 C61 1.441(9) .
C61 C62 1.391(9) .
C62 C63 1.467(10) .
C63 C64 1.390(10) .
C65 C66 1.3900 .
C65 C70 1.3900 .
C65 C71 1.4208 .
C66 C67 1.3900 .
C67 C68 1.3900 .
C68 C69 1.3900 .
C69 C71A 1.3471 .
C69 C70 1.3900 .
C72 C72 1.46(3) 3_657
C72 C73 1.51(2) .
C73 C74 1.52(4) .
C74 C75 1.49(4) .
C75 C76 1.48(3) .
C76 C77 1.37(2) .
C77 C77 1.31(3) 4_565
