#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:22:32 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180390 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/59/7205911.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_7205911
loop_
_publ_author_name
'Chen, Hsiao-Fan'
'Wong, Ken-Tsung'
'Liu, Yi-Hung'
'Wang, Yu'
'Cheng, Yi-Ming'
'Chung, Min-Wen'
'Chou, Pi-Tai'
'Su, Hai-Ching'
_publ_section_title
;
 Bis(diphenylamino)-9,9′-spirobifluorene functionalized Ir(iii)
 complex: a conceptual design en route to a three-in-one system
 possessing emitting core and electron and hole transport peripherals
;
_journal_issue                   3
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              768
_journal_paper_doi               10.1039/c0jm02097d
_journal_volume                  21
_journal_year                    2011
_chemical_formula_sum            'C69 H48 F6 Ir N6 P'
_chemical_formula_weight         1298.30
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 105.367(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.575(3)
_cell_length_b                   13.3527(12)
_cell_length_c                   20.4212(18)
_cell_measurement_reflns_used    126822
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     6461.5(12)
_computing_cell_refinement       'HKL Denzo & Scalepack (Otwinowski & Minor)'
_computing_data_collection       'COLLECT (Nonius BV)'
_computing_data_reduction        'HKL Denzo & Scalepack (Otwinowski & Minor)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1203
_diffrn_reflns_av_sigmaI/netI    0.1317
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            14683
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    2.152
_exptl_absorpt_correction_T_max  0.815
_exptl_absorpt_correction_T_min  0.750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2600
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.957
_refine_diff_density_min         -1.074
_refine_diff_density_rms         0.372
_refine_ls_extinction_coef       0.0050(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.145
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         5674
_refine_ls_number_restraints     132
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.1947
_refine_ls_R_factor_gt           0.1058
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1581P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2521
_refine_ls_wR_factor_ref         0.3105
_reflns_number_gt                2947
_reflns_number_total             5674
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0jm02097d.txt
_cod_data_source_block           ic12251
_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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        6461.5(11)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7205911
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Ir1 Ir 0.0000 0.18139(6) 0.2500 0.0842(6) Uani 1 2 d S . .
N2 N -0.0403(6) 0.3074(8) 0.1856(7) 0.083(4) Uani 1 1 d . . .
N3 N 0.1597(6) 0.6719(11) 0.1531(7) 0.104(4) Uani 1 1 d . . .
N1 N 0.0599(5) 0.1688(8) 0.1973(5) 0.093(4) Uani 1 1 d G . .
C1 C 0.1096(6) 0.2236(9) 0.2099(7) 0.125(7) Uani 1 1 d G . .
H1A H 0.1171 0.2726 0.2435 0.150 Uiso 1 1 calc R . .
C2 C 0.1482(5) 0.2052(14) 0.1724(9) 0.164(11) Uani 1 1 d G . .
H2A H 0.1815 0.2419 0.1808 0.196 Uiso 1 1 calc R . .
C3 C 0.1370(7) 0.1320(14) 0.1222(8) 0.168(11) Uani 1 1 d G . .
H3A H 0.1628 0.1197 0.0971 0.202 Uiso 1 1 calc R . .
C4 C 0.0872(8) 0.0771(11) 0.1096(6) 0.149(9) Uani 1 1 d G . .
H4A H 0.0797 0.0281 0.0761 0.178 Uiso 1 1 calc R . .
C5 C 0.0487(5) 0.0955(8) 0.1472(6) 0.096(5) Uani 1 1 d G . .
C6 C -0.0030(8) 0.0460(13) 0.1380(8) 0.096(5) Uani 1 1 d . . .
C7 C -0.0264(13) -0.0317(15) 0.0886(9) 0.129(8) Uani 1 1 d . . .
H7A H -0.0059 -0.0526 0.0587 0.155 Uiso 1 1 calc R . .
C8 C -0.0783(14) -0.0754(18) 0.0846(12) 0.144(9) Uani 1 1 d . . .
H8A H -0.0925 -0.1250 0.0527 0.173 Uiso 1 1 calc R . .
C9 C -0.1061(12) -0.0466(17) 0.1251(11) 0.139(9) Uani 1 1 d . . .
H9A H -0.1401 -0.0788 0.1230 0.167 Uiso 1 1 calc R . .
C10 C -0.0898(10) 0.0289(15) 0.1721(10) 0.121(7) Uani 1 1 d . . .
H10A H -0.1143 0.0497 0.1972 0.146 Uiso 1 1 calc R . .
C11 C -0.0371(8) 0.0748(12) 0.1829(8) 0.088(4) Uani 1 1 d . . .
C12 C -0.0774(9) 0.3214(13) 0.1260(10) 0.096(5) Uani 1 1 d . . .
H12A H -0.0923 0.2653 0.1005 0.115 Uiso 1 1 calc R . .
C13 C -0.0947(9) 0.4126(17) 0.1002(9) 0.110(6) Uani 1 1 d . . .
H13A H -0.1218 0.4173 0.0587 0.132 Uiso 1 1 calc R . .
C14 C -0.0721(9) 0.5023(14) 0.1356(9) 0.106(6) Uani 1 1 d . . .
H14A H -0.0831 0.5654 0.1177 0.127 Uiso 1 1 calc R . .
C15 C -0.0339(7) 0.4905(10) 0.1962(8) 0.077(4) Uani 1 1 d . . .
C16 C -0.0194(6) 0.3935(11) 0.2177(7) 0.078(4) Uani 1 1 d . . .
C17 C 0.0000 0.5600(14) 0.2500 0.080(6) Uani 1 2 d S . .
C18 C 0.0376(7) 0.6347(11) 0.2239(7) 0.081(4) Uani 1 1 d . . .
C19 C 0.0243(7) 0.7328(12) 0.2342(8) 0.083(4) Uani 1 1 d . . .
C20 C 0.0552(8) 0.8120(11) 0.2163(8) 0.090(4) Uani 1 1 d . . .
H20A H 0.0455 0.8782 0.2216 0.108 Uiso 1 1 calc R . .
C21 C 0.0998(8) 0.7895(13) 0.1911(9) 0.094(5) Uani 1 1 d . . .
H21A H 0.1225 0.8407 0.1821 0.112 Uiso 1 1 calc R . .
C22 C 0.1116(8) 0.6905(12) 0.1785(8) 0.090(5) Uani 1 1 d . . .
C23 C 0.0818(7) 0.6131(11) 0.1968(8) 0.088(5) Uani 1 1 d . . .
H23A H 0.0913 0.5470 0.1908 0.106 Uiso 1 1 calc R . .
C24 C 0.1943(6) 0.5878(10) 0.1775(9) 0.139(4) Uani 1 1 d GU . .
C25 C 0.2094(6) 0.5230(13) 0.1320(6) 0.145(4) Uani 1 1 d GU . .
H25A H 0.1978 0.5359 0.0857 0.174 Uiso 1 1 calc R . .
C26 C 0.2419(7) 0.4387(11) 0.1559(8) 0.149(4) Uani 1 1 d GU . .
H26A H 0.2520 0.3954 0.1255 0.179 Uiso 1 1 calc R . .
C27 C 0.2592(6) 0.4193(10) 0.2252(8) 0.150(4) Uani 1 1 d GU . .
H27A H 0.2809 0.3630 0.2411 0.179 Uiso 1 1 calc R . .
C28 C 0.2441(6) 0.4841(13) 0.2707(6) 0.149(4) Uani 1 1 d GU . .
H28A H 0.2557 0.4712 0.3170 0.178 Uiso 1 1 calc R . .
C29 C 0.2116(7) 0.5684(12) 0.2468(8) 0.146(4) Uani 1 1 d GU . .
H29A H 0.2015 0.6117 0.2772 0.175 Uiso 1 1 calc R . .
C30 C 0.1728(8) 0.7375(13) 0.1046(9) 0.092(5) Uani 1 1 d . . .
C31 C 0.2277(11) 0.760(2) 0.1110(12) 0.141(8) Uani 1 1 d . . .
H31A H 0.2558 0.7314 0.1454 0.169 Uiso 1 1 calc R . .
C32 C 0.2421(16) 0.827(2) 0.0664(18) 0.167(12) Uani 1 1 d . . .
H32A H 0.2799 0.8382 0.0689 0.201 Uiso 1 1 calc R . .
C33 C 0.2033(17) 0.875(2) 0.0209(17) 0.155(11) Uani 1 1 d . . .
H33A H 0.2127 0.9234 -0.0068 0.186 Uiso 1 1 calc R . .
C34 C 0.1501(14) 0.8513(18) 0.0159(11) 0.139(8) Uani 1 1 d . . .
H34A H 0.1227 0.8834 -0.0177 0.167 Uiso 1 1 calc R . .
C35 C 0.1314(5) 0.7821(9) 0.0567(6) 0.114(6) Uani 1 1 d . . .
H35A H 0.0934 0.7681 0.0511 0.136 Uiso 1 1 calc R . .
P1 P 0.2859(5) 0.1850(9) 0.0343(6) 0.163(6) Uani 0.50 1 d PRU . .
F1 F 0.2793(5) 0.2876(9) 0.0140(6) 0.24(2) Uani 0.50 1 d PRU . .
F2 F 0.3383(5) 0.2210(9) 0.0965(6) 0.35(3) Uani 0.50 1 d PRU . .
F3 F 0.3397(5) 0.1639(9) 0.0044(6) 0.34(3) Uani 0.50 1 d PRU . .
F4 F 0.2914(5) 0.1000(9) 0.0833(6) 0.31(3) Uani 0.50 1 d PRU . .
F5 F 0.2460(5) 0.2390(9) 0.0758(6) 0.35(3) Uani 0.50 1 d PRU . .
F6 F 0.2377(5) 0.1204(9) -0.0111(6) 0.28(2) Uani 0.50 1 d PRU . .
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 '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
C11 Ir1 C11 90.3(9) 2 . ?
C11 Ir1 N1 81.0(6) 2 2 ?
C11 Ir1 N1 92.3(6) . 2 ?
C11 Ir1 N1 92.3(6) 2 . ?
C11 Ir1 N1 81.0(6) . . ?
N1 Ir1 N1 170.6(6) 2 . ?
C11 Ir1 N2 174.2(5) 2 . ?
C11 Ir1 N2 94.7(6) . . ?
N1 Ir1 N2 96.0(5) 2 . ?
N1 Ir1 N2 91.2(4) . . ?
C11 Ir1 N2 94.7(6) 2 2 ?
C11 Ir1 N2 174.2(5) . 2 ?
N1 Ir1 N2 91.2(4) 2 2 ?
N1 Ir1 N2 96.0(5) . 2 ?
N2 Ir1 N2 80.4(6) . 2 ?
C12 N2 C16 113.8(13) . . ?
C12 N2 Ir1 138.3(11) . . ?
C16 N2 Ir1 107.8(10) . . ?
C24 N3 C30 120.5(14) . . ?
C24 N3 C22 119.1(14) . . ?
C30 N3 C22 120.4(15) . . ?
C1 N1 C5 120.0 . . ?
C1 N1 Ir1 125.4(7) . . ?
C5 N1 Ir1 114.6(7) . . ?
N1 C1 C2 120.0 . . ?
N1 C1 H1A 120.0 . . ?
C2 C1 H1A 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2A 120.0 . . ?
C1 C2 H2A 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3A 120.0 . . ?
C2 C3 H3A 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4A 120.0 . . ?
C5 C4 H4A 120.0 . . ?
C4 C5 N1 120.0 . . ?
C4 C5 C6 124.8(11) . . ?
N1 C5 C6 115.2(11) . . ?
C5 C6 C11 116.6(14) . . ?
C5 C6 C7 127.4(17) . . ?
C11 C6 C7 116.1(19) . . ?
C8 C7 C6 122(2) . . ?
C8 C7 H7A 119.0 . . ?
C6 C7 H7A 119.0 . . ?
C9 C8 C7 119(2) . . ?
C9 C8 H8A 120.6 . . ?
C7 C8 H8A 120.6 . . ?
C8 C9 C10 125(2) . . ?
C8 C9 H9A 117.6 . . ?
C10 C9 H9A 117.6 . . ?
C9 C10 C11 121(2) . . ?
C9 C10 H10A 119.4 . . ?
C11 C10 H10A 119.4 . . ?
C10 C11 C6 116.9(16) . . ?
C10 C11 Ir1 130.6(14) . . ?
C6 C11 Ir1 112.5(13) . . ?
N2 C12 C13 123.6(17) . . ?
N2 C12 H12A 118.2 . . ?
C13 C12 H12A 118.2 . . ?
C12 C13 C14 121.1(18) . . ?
C12 C13 H13A 119.4 . . ?
C14 C13 H13A 119.4 . . ?
C15 C14 C13 116.7(16) . . ?
C15 C14 H14A 121.7 . . ?
C13 C14 H14A 121.7 . . ?
C14 C15 C16 117.2(15) . . ?
C14 C15 C17 135.4(15) . . ?
C16 C15 C17 107.4(14) . . ?
N2 C16 C15 127.5(14) . . ?
N2 C16 C16 121.9(8) . 2 ?
C15 C16 C16 110.5(10) . 2 ?
C15 C17 C15 104.1(17) 2 . ?
C15 C17 C18 114.2(8) 2 2 ?
C15 C17 C18 112.5(9) . 2 ?
C15 C17 C18 112.5(9) 2 . ?
C15 C17 C18 114.2(8) . . ?
C18 C17 C18 99.7(16) 2 . ?
C23 C18 C19 120.4(14) . . ?
C23 C18 C17 127.7(14) . . ?
C19 C18 C17 111.8(12) . . ?
C18 C19 C20 120.5(14) . . ?
C18 C19 C19 108.3(8) . 2 ?
C20 C19 C19 131.2(10) . 2 ?
C21 C20 C19 118.5(15) . . ?
C21 C20 H20A 120.7 . . ?
C19 C20 H20A 120.7 . . ?
C20 C21 C22 120.4(16) . . ?
C20 C21 H21A 119.8 . . ?
C22 C21 H21A 119.8 . . ?
C23 C22 C21 120.8(16) . . ?
C23 C22 N3 121.2(15) . . ?
C21 C22 N3 117.6(15) . . ?
C18 C23 C22 119.1(15) . . ?
C18 C23 H23A 120.4 . . ?
C22 C23 H23A 120.4 . . ?
C25 C24 C29 120.0 . . ?
C25 C24 N3 120.0(13) . . ?
C29 C24 N3 119.9(13) . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25A 120.0 . . ?
C24 C25 H25A 120.0 . . ?
C25 C26 C27 120.0 . . ?
C25 C26 H26A 120.0 . . ?
C27 C26 H26A 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 H27A 120.0 . . ?
C26 C27 H27A 120.0 . . ?
C29 C28 C27 120.0 . . ?
C29 C28 H28A 120.0 . . ?
C27 C28 H28A 120.0 . . ?
C28 C29 C24 120.0 . . ?
C28 C29 H29A 120.0 . . ?
C24 C29 H29A 120.0 . . ?
C35 C30 C31 120.5(18) . . ?
C35 C30 N3 120.8(15) . . ?
C31 C30 N3 118(2) . . ?
C30 C31 C32 120(3) . . ?
C30 C31 H31A 119.9 . . ?
C32 C31 H31A 119.9 . . ?
C33 C32 C31 121(3) . . ?
C33 C32 H32A 119.5 . . ?
C31 C32 H32A 119.5 . . ?
C32 C33 C34 117(3) . . ?
C32 C33 H33A 121.3 . . ?
C34 C33 H33A 121.3 . . ?
C33 C34 C35 126(3) . . ?
C33 C34 H34A 117.1 . . ?
C35 C34 H34A 117.1 . . ?
C30 C35 C34 114.9(17) . . ?
C30 C35 H35A 122.5 . . ?
C34 C35 H35A 122.5 . . ?
F1 P1 F4 154.9 . . ?
F1 P1 F6 110.4 . . ?
F4 P1 F6 84.1 . . ?
F1 P1 F3 95.7 . . ?
F4 P1 F3 100.6 . . ?
F6 P1 F3 104.3 . . ?
F1 P1 F2 87.0 . . ?
F4 P1 F2 77.9 . . ?
F6 P1 F2 161.9 . . ?
F3 P1 F2 77.9 . . ?
F1 P1 F5 71.8 . . ?
F4 P1 F5 86.9 . . ?
F6 P1 F5 94.9 . . ?
F3 P1 F5 159.9 . . ?
F2 P1 F5 85.6 . . ?
F1 P1 F1 66.7(8) . 7 ?
F4 P1 F1 117.3(8) . 7 ?
F6 P1 F1 46.8(8) . 7 ?
F3 P1 F1 124.1(8) . 7 ?
F2 P1 F1 145.9(8) . 7 ?
F5 P1 F1 66.2(8) . 7 ?
F1 P1 P1 36.5(5) . 7 ?
F4 P1 P1 142.5(5) . 7 ?
F6 P1 P1 75.4(5) . 7 ?
F3 P1 P1 114.7(5) . 7 ?
F2 P1 P1 120.5(5) . 7 ?
F5 P1 P1 64.4(5) . 7 ?
F1 P1 P1 30.2(5) 7 7 ?
F6 F1 P1 159.2(10) 7 . ?
F6 F1 P1 61.4(11) 7 7 ?
P1 F1 P1 113.3(8) . 7 ?
F6 F1 F1 107.8(16) 7 7 ?
P1 F1 F1 63.8(8) . 7 ?
P1 F1 F1 49.5(7) 7 7 ?
F1 F6 P1 71.8(11) 7 . ?
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
Ir1 C11 2.018(16) 2 ?
Ir1 C11 2.018(16) . ?
Ir1 N1 2.047(9) 2 ?
Ir1 N1 2.047(9) . ?
Ir1 N2 2.203(14) . ?
Ir1 N2 2.203(14) 2 ?
N2 C12 1.33(2) . ?
N2 C16 1.355(18) . ?
N3 C24 1.417(17) . ?
N3 C30 1.42(2) . ?
N3 C22 1.43(2) . ?
N1 C1 1.3900 . ?
N1 C5 1.3900 . ?
C1 C2 1.3900 . ?
C1 H1A 0.9300 . ?
C2 C3 1.3900 . ?
C2 H2A 0.9300 . ?
C3 C4 1.3900 . ?
C3 H3A 0.9300 . ?
C4 C5 1.3900 . ?
C4 H4A 0.9300 . ?
C5 C6 1.40(2) . ?
C6 C11 1.45(2) . ?
C6 C7 1.46(3) . ?
C7 C8 1.39(3) . ?
C7 H7A 0.9300 . ?
C8 C9 1.26(3) . ?
C8 H8A 0.9300 . ?
C9 C10 1.38(3) . ?
C9 H9A 0.9300 . ?
C10 C11 1.40(2) . ?
C10 H10A 0.9300 . ?
C12 C13 1.35(2) . ?
C12 H12A 0.9300 . ?
C13 C14 1.43(3) . ?
C13 H13A 0.9300 . ?
C14 C15 1.35(2) . ?
C14 H14A 0.9300 . ?
C15 C16 1.38(2) . ?
C15 C17 1.508(19) . ?
C16 C16 1.41(3) 2 ?
C17 C15 1.508(19) 2 ?
C17 C18 1.548(19) 2 ?
C17 C18 1.548(19) . ?
C18 C23 1.37(2) . ?
C18 C19 1.38(2) . ?
C19 C20 1.41(2) . ?
C19 C19 1.50(3) 2 ?
C20 C21 1.36(2) . ?
C20 H20A 0.9300 . ?
C21 C22 1.39(2) . ?
C21 H21A 0.9300 . ?
C22 C23 1.37(2) . ?
C23 H23A 0.9300 . ?
C24 C25 1.3900 . ?
C24 C29 1.3900 . ?
C25 C26 1.3900 . ?
C25 H25A 0.9300 . ?
C26 C27 1.3900 . ?
C26 H26A 0.9300 . ?
C27 C28 1.3900 . ?
C27 H27A 0.9300 . ?
C28 C29 1.3900 . ?
C28 H28A 0.9300 . ?
C29 H29A 0.9300 . ?
C30 C35 1.35(2) . ?
C30 C31 1.36(3) . ?
C31 C32 1.38(3) . ?
C31 H31A 0.9300 . ?
C32 C33 1.31(4) . ?
C32 H32A 0.9300 . ?
C33 C34 1.32(4) . ?
C33 H33A 0.9300 . ?
C34 C35 1.40(3) . ?
C34 H34A 0.9300 . ?
C35 H35A 0.9300 . ?
P1 F1 1.4288 . ?
P1 F4 1.4948 . ?
P1 F6 1.5576 . ?
P1 F3 1.6199 . ?
P1 F2 1.6218 . ?
P1 F5 1.6255 . ?
P1 F1 1.69(3) 7 ?
P1 P1 2.61(3) 7 ?
F1 F6 1.29(2) 7 ?
F1 P1 1.69(3) 7 ?
F1 F1 1.73(2) 7 ?
F6 F1 1.29(2) 7 ?
