#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:02:42 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180285 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/71/7117122.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_7117122
loop_
_publ_author_name
'Rafal Orlowski'
'Olena Vakuliuk'
'Maria Pia Gullo'
'Oksana Danylyuk'
'Barbara Ventura'
'Beata Koszarna'
'Anna Tarnowska'
'Nina Jaworska'
'Andrea Barbieri'
'Daniel T. Gryko'
_publ_section_title
;
 Self-assembling corroles
;
_journal_name_full               Chem.Commun.
_journal_page_first              8284
_journal_paper_doi               10.1039/C5cc01306B
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C44 H28 Cl3 F10 N5 O2'
_chemical_formula_weight         955.06
_chemical_name_systematic
;
 ?
;
_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-2013
_audit_update_record
;
2015-02-11 deposited with the CCDC.
2015-04-06 downloaded from the CCDC.
;
_cell_angle_alpha                95.169(7)
_cell_angle_beta                 107.245(7)
_cell_angle_gamma                111.916(8)
_cell_formula_units_Z            2
_cell_length_a                   11.0840(9)
_cell_length_b                   13.9124(12)
_cell_length_c                   15.6917(13)
_cell_measurement_reflns_used    4699
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      72.08
_cell_measurement_theta_min      3.51
_cell_volume                     2088.2(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.29
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0572
_diffrn_reflns_av_unetI/netI     0.0708
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14457
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.226
_diffrn_reflns_theta_min         3.516
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.792
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.62
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_description       prism
_exptl_crystal_F_000             968
_refine_diff_density_max         0.901
_refine_diff_density_min         -1.205
_refine_diff_density_rms         0.118
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     587
_refine_ls_number_reflns         7973
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.1284
_refine_ls_R_factor_gt           0.0992
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1612P)²+6.2961P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2952
_refine_ls_wR_factor_ref         0.3135
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5976
_reflns_number_total             7973
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5cc01306b3.cif
_cod_data_source_block           ro41_olen
_cod_original_cell_volume        2088.2(3)
_cod_database_code               7117122
#BEGIN Tags that were not found in dictionaries:
_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.
;
_shelxl_version_number           2013-3
#END Tags that were not found in dictionaries
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
O1 O 0.6331(3) 0.1035(2) 0.4865(2) 0.0268(7) Uani 1 1 d . . . . .
O2 O 0.5316(4) 0.2719(3) 0.6046(3) 0.0368(8) Uani 1 1 d . . . . .
N5 N 0.6611(5) 0.1826(4) 0.6592(3) 0.0415(11) Uani 1 1 d . . . . .
H5 H 0.6868 0.1328 0.6443 0.050 Uiso 1 1 calc R U . . .
C50 C 0.5324(5) 0.1395(4) 0.4972(3) 0.0293(10) Uani 1 1 d . . . . .
H50A H 0.4431 0.0770 0.4837 0.035 Uiso 1 1 calc R U . . .
H50B H 0.5167 0.1829 0.4520 0.035 Uiso 1 1 calc R U . . .
C51 C 0.5760(5) 0.2049(4) 0.5925(4) 0.0312(10) Uani 1 1 d . . . . .
C53 C 0.7141(8) 0.2362(6) 0.7557(4) 0.0564(17) Uani 1 1 d . . . . .
H53A H 0.7212 0.3096 0.7592 0.068 Uiso 1 1 calc R U . . .
H53B H 0.8094 0.2413 0.7845 0.068 Uiso 1 1 calc R U . . .
C55 C 0.6069(10) 0.0753(9) 0.8103(6) 0.084(3) Uani 1 1 d . . . . .
H55A H 0.6964 0.0693 0.8226 0.101 Uiso 1 1 calc R U . . .
H55B H 0.5423 0.0296 0.7491 0.101 Uiso 1 1 calc R U . . .
C54 C 0.6291(9) 0.1840(8) 0.8104(5) 0.072(2) Uani 1 1 d . . . . .
H54A H 0.6757 0.2258 0.8745 0.086 Uiso 1 1 calc R U . . .
H54B H 0.5373 0.1865 0.7862 0.086 Uiso 1 1 calc R U . . .
C56 C 0.5429(12) 0.0346(11) 0.8868(9) 0.115(4) Uani 1 1 d . . . . .
H56A H 0.6018 0.0842 0.9463 0.173 Uiso 1 1 calc R U . . .
H56B H 0.5393 -0.0362 0.8907 0.173 Uiso 1 1 calc R U . . .
H56C H 0.4486 0.0312 0.8700 0.173 Uiso 1 1 calc R U . . .
Cl2 Cl 0.9918(3) 0.49174(18) 0.28677(18) 0.0833(7) Uani 1 1 d . . . . .
Cl1 Cl 0.9629(4) 0.3685(3) 0.11873(19) 0.1137(11) Uani 1 1 d . . . . .
Cl3 Cl 0.7554(3) 0.2877(2) 0.20192(19) 0.0965(8) Uani 1 1 d . . . . .
C1X C 0.9293(10) 0.3629(7) 0.2219(6) 0.076(2) Uani 1 1 d . . . . .
H1X H 0.9832 0.3269 0.2577 0.091 Uiso 1 1 calc R U . . .
F10 F 1.0459(3) -0.1369(3) 0.8265(2) 0.0421(7) Uani 1 1 d . . . . .
F8 F 0.8994(4) -0.1154(3) 1.07539(19) 0.0489(9) Uani 1 1 d . . . . .
F6 F 0.5802(3) -0.1973(3) 0.7771(2) 0.0447(8) Uani 1 1 d . . . . .
N2 N 0.7646(4) -0.1467(3) 0.3727(2) 0.0229(8) Uani 1 1 d D . . . .
H1N2 H 0.767(6) -0.179(4) 0.419(3) 0.028 Uiso 1 1 d D U . . .
F9 F 1.1017(4) -0.1049(3) 1.0089(2) 0.0506(9) Uani 1 1 d . . . . .
F7 F 0.6386(4) -0.1612(3) 0.9598(2) 0.0529(9) Uani 1 1 d . . . . .
N1 N 0.7903(4) -0.1063(3) 0.5623(2) 0.0219(7) Uani 1 1 d . . . . .
N4 N 0.6925(4) -0.3135(3) 0.5543(2) 0.0243(8) Uani 1 1 d D . . . .
H1N4 H 0.705(6) -0.260(3) 0.525(3) 0.029 Uiso 1 1 d D U . . .
F5 F 0.9375(4) -0.3100(3) 0.2188(2) 0.0492(8) Uani 1 1 d . . . . .
F1 F 0.4761(4) -0.3502(3) 0.0839(2) 0.0561(10) Uani 1 1 d . . . . .
C15 C 0.6653(5) -0.4156(3) 0.5191(3) 0.0242(9) Uani 1 1 d . . . . .
C14 C 0.6518(5) -0.4390(3) 0.4267(3) 0.0234(9) Uani 1 1 d . . . . .
F4 F 0.9411(5) -0.3683(4) 0.0519(3) 0.0761(13) Uani 1 1 d . . . . .
N3 N 0.6540(4) -0.3582(3) 0.3810(2) 0.0246(8) Uani 1 1 d D . . . .
H1N3 H 0.604(5) -0.321(4) 0.385(4) 0.030 Uiso 1 1 d D U . . .
C26 C 0.8466(5) 0.1391(3) 0.4636(3) 0.0220(9) Uani 1 1 d . . . . .
C2 C 0.8653(5) 0.0102(3) 0.7007(3) 0.0265(9) Uani 1 1 d . . . . .
H2A H 0.8902 0.0366 0.7643 0.032 Uiso 1 1 calc R U . . .
C4 C 0.8287(4) -0.0050(3) 0.5500(3) 0.0218(8) Uani 1 1 d . . . . .
C1 C 0.8094(5) -0.1002(3) 0.6541(3) 0.0225(9) Uani 1 1 d . . . . .
F2 F 0.4832(5) -0.4033(3) -0.0828(2) 0.0742(14) Uani 1 1 d . . . . .
C13 C 0.6637(5) -0.5160(3) 0.3702(3) 0.0276(10) Uani 1 1 d . . . . .
H13 H 0.6612 -0.5822 0.3824 0.033 Uiso 1 1 calc R U . . .
C6 C 0.7934(5) -0.0404(3) 0.3833(3) 0.0239(9) Uani 1 1 d . . . . .
C3 C 0.8755(5) 0.0688(3) 0.6365(3) 0.0242(9) Uani 1 1 d . . . . .
H3A H 0.9073 0.1438 0.6463 0.029 Uiso 1 1 calc R U . . .
C5 C 0.8217(5) 0.0262(3) 0.4656(3) 0.0220(8) Uani 1 1 d . . . . .
C10 C 0.7040(5) -0.2993(4) 0.2499(3) 0.0264(9) Uani 1 1 d . . . . .
C19 C 0.7805(5) -0.1875(3) 0.6955(3) 0.0239(9) Uani 1 1 d . . . . .
C25 C 0.9429(6) -0.1452(4) 0.8574(3) 0.0318(10) Uani 1 1 d . . . . .
C18 C 0.7270(5) -0.2937(3) 0.6471(3) 0.0244(9) Uani 1 1 d . . . . .
C9 C 0.7397(5) -0.1924(3) 0.2836(3) 0.0252(9) Uani 1 1 d . . . . .
F3 F 0.7143(6) -0.4148(3) -0.1003(2) 0.0761(14) Uani 1 1 d . . . . .
C16 C 0.6752(5) -0.4667(3) 0.5940(3) 0.0274(9) Uani 1 1 d . . . . .
H16 H 0.6586 -0.5393 0.5906 0.033 Uiso 1 1 calc R U . . .
C32 C 0.7061(5) -0.3300(3) 0.1570(3) 0.0290(10) Uani 1 1 d . . . . .
C11 C 0.6759(5) -0.3783(3) 0.3007(3) 0.0261(9) Uani 1 1 d . . . . .
C17 C 0.7131(5) -0.3921(3) 0.6725(3) 0.0270(9) Uani 1 1 d . . . . .
H17 H 0.7274 -0.4042 0.7326 0.032 Uiso 1 1 calc R U . . .
C22 C 0.7387(6) -0.1559(4) 0.9263(3) 0.0372(12) Uani 1 1 d . . . . .
C21 C 0.7091(6) -0.1742(4) 0.8325(3) 0.0322(11) Uani 1 1 d . . . . .
C8 C 0.7542(5) -0.1075(4) 0.2360(3) 0.0275(9) Uani 1 1 d . . . . .
H8 H 0.7438 -0.1138 0.1732 0.033 Uiso 1 1 calc R U . . .
C7 C 0.7852(5) -0.0171(3) 0.2949(3) 0.0267(9) Uani 1 1 d . . . . .
H7 H 0.7991 0.0502 0.2804 0.032 Uiso 1 1 calc R U . . .
C28 C 0.7769(5) 0.2830(4) 0.4792(3) 0.0299(10) Uani 1 1 d . . . . .
H28 H 0.7150 0.3095 0.4917 0.036 Uiso 1 1 calc R U . . .
C37 C 0.8216(6) -0.3347(4) 0.1454(3) 0.0380(12) Uani 1 1 d . . . . .
C33 C 0.5929(7) -0.3537(4) 0.0787(3) 0.0407(13) Uani 1 1 d . . . . .
C23 C 0.8703(6) -0.1333(4) 0.9845(3) 0.0367(12) Uani 1 1 d . . . . .
C31 C 0.9623(5) 0.2085(4) 0.4488(3) 0.0277(9) Uani 1 1 d . . . . .
H31 H 1.0272 0.1835 0.4393 0.033 Uiso 1 1 calc R U . . .
C20 C 0.8118(5) -0.1685(3) 0.7960(3) 0.0260(9) Uani 1 1 d . . . . .
C27 C 0.7516(5) 0.1771(3) 0.4770(3) 0.0239(9) Uani 1 1 d . . . . .
C24 C 0.9733(6) -0.1277(4) 0.9512(3) 0.0347(11) Uani 1 1 d . . . . .
C34 C 0.5949(8) -0.3822(4) -0.0081(3) 0.0509(17) Uani 1 1 d . . . . .
C30 C 0.9858(5) 0.3132(4) 0.4473(4) 0.0337(11) Uani 1 1 d . . . . .
H30 H 1.0646 0.3591 0.4357 0.040 Uiso 1 1 calc R U . . .
C29 C 0.8921(5) 0.3497(4) 0.4631(4) 0.0355(11) Uani 1 1 d . . . . .
H29 H 0.9074 0.4216 0.4629 0.043 Uiso 1 1 calc R U . . .
C12 C 0.6796(5) -0.4790(3) 0.2931(3) 0.0275(10) Uani 1 1 d . . . . .
H12 H 0.6910 -0.5152 0.2439 0.033 Uiso 1 1 calc R U . . .
C35 C 0.7112(8) -0.3888(5) -0.0163(4) 0.0536(17) Uani 1 1 d . . . . .
C36 C 0.8260(7) -0.3653(5) 0.0597(4) 0.0469(14) Uani 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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
C27 O1 C50 117.6(3) . .
C51 N5 C53 123.7(5) . .
O1 C50 C51 113.0(4) . .
O2 C51 N5 124.3(5) . .
O2 C51 C50 120.4(4) . .
N5 C51 C50 115.3(4) . .
N5 C53 C54 115.5(6) . .
C54 C55 C56 110.9(8) . .
C55 C54 C53 115.0(7) . .
Cl3 C1X Cl2 112.9(5) . .
Cl3 C1X Cl1 111.8(5) . .
Cl2 C1X Cl1 109.8(5) . .
C6 N2 C9 111.3(3) . .
C4 N1 C1 106.7(3) . .
C15 N4 C18 111.6(3) . .
N4 C15 C14 115.9(4) . .
N4 C15 C16 106.3(4) . .
C14 C15 C16 137.3(4) . .
N3 C14 C13 106.6(4) . .
N3 C14 C15 115.6(4) . .
C13 C14 C15 136.3(4) . .
C11 N3 C14 110.6(3) . .
C31 C26 C27 118.4(4) . .
C31 C26 C5 121.8(4) . .
C27 C26 C5 119.8(4) . .
C3 C2 C1 107.1(4) . .
N1 C4 C5 126.2(4) . .
N1 C4 C3 110.0(4) . .
C5 C4 C3 123.7(4) . .
N1 C1 C19 125.1(4) . .
N1 C1 C2 109.2(4) . .
C19 C1 C2 125.6(4) . .
C12 C13 C14 108.3(4) . .
N2 C6 C5 124.2(4) . .
N2 C6 C7 106.1(3) . .
C5 C6 C7 129.7(4) . .
C2 C3 C4 106.8(4) . .
C6 C5 C4 125.2(4) . .
C6 C5 C26 116.8(4) . .
C4 C5 C26 118.0(4) . .
C9 C10 C11 124.0(4) . .
C9 C10 C32 117.7(4) . .
C11 C10 C32 118.2(4) . .
C1 C19 C18 123.5(4) . .
C1 C19 C20 119.2(4) . .
C18 C19 C20 117.3(4) . .
F10 C25 C24 118.0(5) . .
F10 C25 C20 119.8(4) . .
C24 C25 C20 122.2(5) . .
N4 C18 C19 118.3(4) . .
N4 C18 C17 106.3(4) . .
C19 C18 C17 134.9(4) . .
N2 C9 C10 125.6(4) . .
N2 C9 C8 105.2(4) . .
C10 C9 C8 129.2(4) . .
C17 C16 C15 108.0(4) . .
C37 C32 C33 116.7(5) . .
C37 C32 C10 121.5(4) . .
C33 C32 C10 121.8(5) . .
N3 C11 C10 120.5(4) . .
N3 C11 C12 106.2(4) . .
C10 C11 C12 132.8(4) . .
C16 C17 C18 107.7(4) . .
F7 C22 C23 120.3(4) . .
F7 C22 C21 120.1(5) . .
C23 C22 C21 119.5(5) . .
F6 C21 C22 118.7(5) . .
F6 C21 C20 120.1(4) . .
C22 C21 C20 121.2(5) . .
C7 C8 C9 109.2(4) . .
C8 C7 C6 108.2(4) . .
C29 C28 C27 120.0(4) . .
F5 C37 C32 120.0(4) . .
F5 C37 C36 117.1(5) . .
C32 C37 C36 122.9(5) . .
F1 C33 C32 120.6(5) . .
F1 C33 C34 117.6(5) . .
C32 C33 C34 121.8(6) . .
F8 C23 C22 119.7(5) . .
F8 C23 C24 119.4(5) . .
C22 C23 C24 120.9(4) . .
C30 C31 C26 121.8(4) . .
C25 C20 C21 117.1(4) . .
C25 C20 C19 121.6(4) . .
C21 C20 C19 121.3(4) . .
C28 C27 O1 123.3(4) . .
C28 C27 C26 120.2(4) . .
O1 C27 C26 116.5(4) . .
F9 C24 C23 120.2(4) . .
F9 C24 C25 120.7(5) . .
C23 C24 C25 119.1(5) . .
F2 C34 C35 120.5(5) . .
F2 C34 C33 120.0(7) . .
C35 C34 C33 119.4(6) . .
C31 C30 C29 118.7(5) . .
C28 C29 C30 120.8(4) . .
C13 C12 C11 108.2(4) . .
F3 C35 C36 119.8(7) . .
F3 C35 C34 119.6(6) . .
C36 C35 C34 120.6(5) . .
F4 C36 C35 120.8(5) . .
F4 C36 C37 120.7(6) . .
C35 C36 C37 118.5(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C27 1.391(6) .
O1 C50 1.427(5) .
O2 C51 1.230(6) .
N5 C51 1.331(6) .
N5 C53 1.462(7) .
C50 C51 1.516(7) .
C53 C54 1.494(11) .
C55 C54 1.439(13) .
C55 C56 1.610(13) .
Cl2 C1X 1.748(9) .
Cl1 C1X 1.767(9) .
Cl3 C1X 1.728(10) .
F10 C25 1.338(6) .
F8 C23 1.344(5) .
F6 C21 1.331(6) .
N2 C6 1.374(5) .
N2 C9 1.383(5) .
F9 C24 1.338(6) .
F7 C22 1.343(7) .
N1 C4 1.362(5) .
N1 C1 1.382(5) .
N4 C15 1.360(5) .
N4 C18 1.365(5) .
F5 C37 1.348(6) .
F1 C33 1.340(7) .
C15 C14 1.407(6) .
C15 C16 1.425(6) .
C14 N3 1.383(5) .
C14 C13 1.399(6) .
F4 C36 1.332(8) .
N3 C11 1.376(6) .
C26 C31 1.387(7) .
C26 C27 1.400(6) .
C26 C5 1.495(5) .
C2 C3 1.357(6) .
C2 C1 1.447(6) .
C4 C5 1.421(6) .
C4 C3 1.448(6) .
C1 C19 1.406(6) .
F2 C34 1.341(7) .
C13 C12 1.388(6) .
C6 C5 1.397(6) .
C6 C7 1.437(6) .
C10 C9 1.395(6) .
C10 C11 1.410(6) .
C10 C32 1.490(6) .
C19 C18 1.410(6) .
C19 C20 1.487(6) .
C25 C24 1.386(7) .
C25 C20 1.380(7) .
C18 C17 1.426(6) .
C9 C8 1.438(6) .
F3 C35 1.349(6) .
C16 C17 1.381(6) .
C32 C37 1.370(8) .
C32 C33 1.377(7) .
C11 C12 1.413(6) .
C22 C23 1.369(8) .
C22 C21 1.387(6) .
C21 C20 1.399(7) .
C8 C7 1.354(6) .
C28 C29 1.379(7) .
C28 C27 1.388(6) .
C37 C36 1.394(7) .
C33 C34 1.393(8) .
C23 C24 1.370(8) .
C31 C30 1.384(6) .
C34 C35 1.368(11) .
C30 C29 1.387(7) .
C35 C36 1.366(10) .
