#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:46:28 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178700 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/11/4081179.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_4081179
loop_
_publ_author_name
'Talavera, M.'
'Bolaño, S.'
'Bravo, J.'
'Castro, J.'
'Garc\?ía-Fontán, S.'
'Hermida-Ramón, J. M.'
_publ_section_title
;
 Nucleophilic Attack in Methoxycarbenes: Heterolytic Cleavage of the
 Carbon (sp3)--Oxygen Bond versus Aminolysis
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              4402
_journal_paper_doi               10.1021/om400565c
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C39 H42 Cl F6 Ir O P2'
_chemical_formula_weight         930.32
_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                 101.3580(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   40.922(3)
_cell_length_b                   12.8637(10)
_cell_length_c                   14.6334(12)
_cell_measurement_reflns_used    6621
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27.24
_cell_measurement_theta_min      2.20
_cell_volume                     7552.3(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker SMART1000 CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0456
_diffrn_reflns_av_sigmaI/netI    0.0623
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -53
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24349
_diffrn_reflns_theta_full        28.03
_diffrn_reflns_theta_max         28.03
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    3.751
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4464
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3696
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.619
_refine_diff_density_min         -0.979
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         8969
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0338P)²+14.0482P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0727
_refine_ls_wR_factor_ref         0.0883
_reflns_number_gt                6308
_reflns_number_total             8969
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400565c_si_001.cif
_cod_data_source_block           4
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        7552.2(10)
_cod_original_sg_symbol_H-M      'C2/c  '
_cod_database_code               4081179
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
Ir Ir 0.097345(5) 0.814451(13) 0.106104(13) 0.02283(6) Uani 1 1 d .
Cl Cl 0.09422(3) 0.87308(10) 0.26091(9) 0.0354(3) Uani 1 1 d .
O1 O 0.15046(9) 0.6785(2) 0.0985(2) 0.0285(7) Uani 1 1 d .
C1 C 0.07063(14) 0.6769(4) 0.0314(4) 0.0426(15) Uani 1 1 d .
C2 C 0.07656(13) 0.7548(4) -0.0334(4) 0.0366(13) Uani 1 1 d .
C3 C 0.05667(12) 0.8432(4) -0.0205(4) 0.0304(11) Uani 1 1 d .
C4 C 0.04179(13) 0.8241(4) 0.0562(4) 0.0347(12) Uani 1 1 d .
C5 C 0.05055(14) 0.7202(4) 0.0897(4) 0.0421(14) Uani 1 1 d .
C6 C 0.08185(18) 0.5651(4) 0.0286(5) 0.069(2) Uani 1 1 d .
H6A H 0.0687 0.5306 -0.0263 0.104 Uiso 1 1 calc R
H6B H 0.0786 0.5291 0.0851 0.104 Uiso 1 1 calc R
H6C H 0.1055 0.5632 0.0250 0.104 Uiso 1 1 calc R
C7 C 0.09361(16) 0.7359(5) -0.1132(4) 0.0563(18) Uani 1 1 d .
H7A H 0.1151 0.7022 -0.0905 0.084 Uiso 1 1 calc R
H7B H 0.0972 0.8024 -0.1425 0.084 Uiso 1 1 calc R
H7C H 0.0797 0.6909 -0.1591 0.084 Uiso 1 1 calc R
C8 C 0.05017(14) 0.9351(4) -0.0856(4) 0.0414(13) Uani 1 1 d .
H8A H 0.0300 0.9225 -0.1327 0.062 Uiso 1 1 calc R
H8B H 0.0692 0.9449 -0.1164 0.062 Uiso 1 1 calc R
H8C H 0.0472 0.9977 -0.0499 0.062 Uiso 1 1 calc R
C9 C 0.01776(14) 0.8917(5) 0.0948(4) 0.0467(15) Uani 1 1 d .
H9A H 0.0183 0.9624 0.0701 0.070 Uiso 1 1 calc R
H9B H 0.0241 0.8935 0.1630 0.070 Uiso 1 1 calc R
H9C H -0.0048 0.8634 0.0766 0.070 Uiso 1 1 calc R
C10 C 0.03704(18) 0.6681(5) 0.1659(5) 0.067(2) Uani 1 1 d .
H10A H 0.0476 0.5999 0.1791 0.101 Uiso 1 1 calc R
H10B H 0.0129 0.6591 0.1463 0.101 Uiso 1 1 calc R
H10C H 0.0418 0.7111 0.2223 0.101 Uiso 1 1 calc R
C11 C 0.15722(12) 0.7516(4) 0.2534(3) 0.0270(11) Uani 1 1 d .
H11 H 0.1628 0.8212 0.2716 0.032 Uiso 1 1 calc R
C12 C 0.13901(12) 0.7397(3) 0.1573(3) 0.0260(11) Uani 1 1 d .
C13 C 0.18178(14) 0.6194(4) 0.1211(4) 0.0357(13) Uani 1 1 d .
H13A H 0.1976 0.6563 0.1692 0.054 Uiso 1 1 calc R
H13B H 0.1913 0.6121 0.0650 0.054 Uiso 1 1 calc R
H13C H 0.1773 0.5503 0.1442 0.054 Uiso 1 1 calc R
C14 C 0.16740(12) 0.6798(4) 0.3207(3) 0.0263(10) Uani 1 1 d .
C15 C 0.15933(13) 0.5683(4) 0.3050(3) 0.0252(10) Uani 1 1 d .
C16 C 0.12781(14) 0.5379(4) 0.2604(4) 0.0335(12) Uani 1 1 d .
H16 H 0.1107 0.5886 0.2454 0.040 Uiso 1 1 calc R
C17 C 0.12059(15) 0.4342(4) 0.2368(4) 0.0410(14) Uani 1 1 d .
H17 H 0.0989 0.4138 0.2063 0.049 Uiso 1 1 calc R
C18 C 0.14621(16) 0.3611(4) 0.2594(4) 0.0421(14) Uani 1 1 d .
H18 H 0.1420 0.2906 0.2414 0.050 Uiso 1 1 calc R
C19 C 0.17725(15) 0.3889(4) 0.3072(4) 0.0368(13) Uani 1 1 d .
H19 H 0.1941 0.3376 0.3238 0.044 Uiso 1 1 calc R
C110 C 0.18412(13) 0.4923(4) 0.3311(3) 0.0315(12) Uani 1 1 d .
H110 H 0.2055 0.5116 0.3650 0.038 Uiso 1 1 calc R
C111 C 0.18446(13) 0.7135(4) 0.4145(4) 0.0298(11) Uani 1 1 d .
C112 C 0.18202(15) 0.6567(4) 0.4948(4) 0.0402(14) Uani 1 1 d .
H112 H 0.1696 0.5938 0.4891 0.048 Uiso 1 1 calc R
C113 C 0.19740(17) 0.6913(5) 0.5819(4) 0.0515(16) Uani 1 1 d .
H113 H 0.1955 0.6514 0.6353 0.062 Uiso 1 1 calc R
C114 C 0.21536(17) 0.7823(5) 0.5928(4) 0.0519(17) Uani 1 1 d .
H114 H 0.2258 0.8055 0.6532 0.062 Uiso 1 1 calc R
C115 C 0.21799(16) 0.8399(4) 0.5142(4) 0.0462(15) Uani 1 1 d .
H115 H 0.2301 0.9035 0.5206 0.055 Uiso 1 1 calc R
C116 C 0.20301(14) 0.8048(4) 0.4266(4) 0.0359(12) Uani 1 1 d .
H116 H 0.2055 0.8440 0.3734 0.043 Uiso 1 1 calc R
P1 P 0.12786(3) 0.95789(9) 0.07888(8) 0.0225(3) Uani 1 1 d .
C41 C 0.14312(14) 0.9482(4) -0.0298(3) 0.0337(12) Uani 1 1 d .
H41A H 0.1591 1.0042 -0.0327 0.051 Uiso 1 1 calc R
H41B H 0.1244 0.9543 -0.0827 0.051 Uiso 1 1 calc R
H41C H 0.1541 0.8809 -0.0325 0.051 Uiso 1 1 calc R
C31 C 0.10501(13) 1.0802(3) 0.0704(3) 0.0267(11) Uani 1 1 d .
C32 C 0.08037(13) 1.0951(4) 0.1217(4) 0.0341(12) Uani 1 1 d .
H32 H 0.0760 1.0417 0.1625 0.041 Uiso 1 1 calc R
C33 C 0.06188(16) 1.1859(4) 0.1150(4) 0.0451(14) Uani 1 1 d .
H33 H 0.0457 1.1963 0.1526 0.054 Uiso 1 1 calc R
C34 C 0.06756(17) 1.2616(4) 0.0521(4) 0.0490(16) Uani 1 1 d .
H34 H 0.0546 1.3234 0.0448 0.059 Uiso 1 1 calc R
C35 C 0.09170(18) 1.2476(4) 0.0006(5) 0.0552(18) Uani 1 1 d .
H35 H 0.0955 1.3001 -0.0418 0.066 Uiso 1 1 calc R
C36 C 0.11071(16) 1.1579(4) 0.0097(4) 0.0397(14) Uani 1 1 d .
H36 H 0.1277 1.1495 -0.0257 0.048 Uiso 1 1 calc R
C21 C 0.16602(12) 0.9834(3) 0.1629(3) 0.0234(10) Uani 1 1 d .
C22 C 0.19582(12) 0.9362(4) 0.1527(3) 0.0285(11) Uani 1 1 d .
H22 H 0.1960 0.8910 0.1015 0.034 Uiso 1 1 calc R
C23 C 0.22494(13) 0.9545(4) 0.2161(4) 0.0320(12) Uani 1 1 d .
H23 H 0.2451 0.9220 0.2083 0.038 Uiso 1 1 calc R
C24 C 0.22487(14) 1.0205(4) 0.2913(4) 0.0348(12) Uani 1 1 d .
H24 H 0.2449 1.0328 0.3352 0.042 Uiso 1 1 calc R
C25 C 0.19572(13) 1.0678(4) 0.3020(3) 0.0324(12) Uani 1 1 d .
H25 H 0.1958 1.1136 0.3530 0.039 Uiso 1 1 calc R
C26 C 0.16627(13) 1.0492(4) 0.2392(3) 0.0264(11) Uani 1 1 d .
H26 H 0.1462 1.0812 0.2480 0.032 Uiso 1 1 calc R
P3 P 0.2500 0.2500 0.5000 0.0254(4) Uani 1 2 d S
F31 F 0.25518(7) 0.1265(2) 0.50499(19) 0.0338(7) Uani 1 1 d .
F32 F 0.24883(7) 0.2471(2) 0.38988(18) 0.0327(7) Uani 1 1 d .
F33 F 0.21025(7) 0.2334(2) 0.48197(19) 0.0320(7) Uani 1 1 d .
P2 P 0.0000 0.38714(15) 0.2500 0.0352(5) Uani 1 2 d S
F21 F 0.03401(9) 0.3873(3) 0.2129(3) 0.0646(11) Uani 1 1 d .
F22 F 0.01484(12) 0.4747(4) 0.3195(4) 0.1087(19) Uani 1 1 d .
F23 F 0.01418(12) 0.3018(4) 0.3209(4) 0.132(3) 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 0.0033 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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
C12 Ir C2 109.3(2) . .
C12 Ir C5 115.7(2) . .
C2 Ir C5 62.8(2) . .
C12 Ir C1 95.85(19) . .
C2 Ir C1 37.6(2) . .
C5 Ir C1 36.7(2) . .
C12 Ir C4 153.21(19) . .
C2 Ir C4 62.3(2) . .
C5 Ir C4 37.52(18) . .
C1 Ir C4 61.45(19) . .
C12 Ir C3 146.26(19) . .
C2 Ir C3 37.48(18) . .
C5 Ir C3 61.7(2) . .
C1 Ir C3 61.44(18) . .
C4 Ir C3 36.15(18) . .
C12 Ir P1 89.93(14) . .
C2 Ir P1 104.10(16) . .
C5 Ir P1 153.56(15) . .
C1 Ir P1 140.73(17) . .
C4 Ir P1 116.53(13) . .
C3 Ir P1 93.65(13) . .
C12 Ir Cl 89.87(14) . .
C2 Ir Cl 154.33(15) . .
C5 Ir Cl 93.86(17) . .
C1 Ir Cl 126.26(17) . .
C4 Ir Cl 92.88(14) . .
C3 Ir Cl 123.41(13) . .
P1 Ir Cl 92.45(4) . .
C12 O1 C13 124.6(4) . .
C5 C1 C2 108.6(5) . .
C5 C1 C6 127.5(6) . .
C2 C1 C6 123.7(6) . .
C5 C1 Ir 71.4(3) . .
C2 C1 Ir 69.0(3) . .
C6 C1 Ir 129.9(4) . .
C3 C2 C1 107.1(5) . .
C3 C2 C7 126.6(5) . .
C1 C2 C7 124.8(5) . .
C3 C2 Ir 74.1(3) . .
C1 C2 Ir 73.3(3) . .
C7 C2 Ir 129.1(4) . .
C4 C3 C2 108.3(5) . .
C4 C3 C8 126.4(5) . .
C2 C3 C8 125.0(5) . .
C4 C3 Ir 71.4(3) . .
C2 C3 Ir 68.4(3) . .
C8 C3 Ir 130.9(4) . .
C3 C4 C5 108.4(5) . .
C3 C4 C9 128.3(5) . .
C5 C4 C9 123.0(5) . .
C3 C4 Ir 72.5(3) . .
C5 C4 Ir 70.8(3) . .
C9 C4 Ir 127.1(4) . .
C1 C5 C4 107.2(5) . .
C1 C5 C10 128.1(6) . .
C4 C5 C10 124.3(6) . .
C1 C5 Ir 72.0(3) . .
C4 C5 Ir 71.7(3) . .
C10 C5 Ir 126.6(5) . .
C14 C11 C12 130.8(4) . .
O1 C12 C11 120.7(4) . .
O1 C12 Ir 115.8(3) . .
C11 C12 Ir 123.5(3) . .
C11 C14 C111 119.8(4) . .
C11 C14 C15 121.3(4) . .
C111 C14 C15 118.6(4) . .
C16 C15 C110 119.2(5) . .
C16 C15 C14 120.4(4) . .
C110 C15 C14 120.3(5) . .
C15 C16 C17 121.3(5) . .
C16 C17 C18 118.2(6) . .
C19 C18 C17 121.4(5) . .
C18 C19 C110 120.0(5) . .
C19 C110 C15 119.8(5) . .
C116 C111 C112 117.4(5) . .
C116 C111 C14 120.8(4) . .
C112 C111 C14 121.8(5) . .
C113 C112 C111 120.8(6) . .
C114 C113 C112 121.2(6) . .
C113 C114 C115 119.0(6) . .
C116 C115 C114 120.0(6) . .
C115 C116 C111 121.7(5) . .
C21 P1 C31 104.5(2) . .
C21 P1 C41 101.9(2) . .
C31 P1 C41 105.0(2) . .
C21 P1 Ir 116.75(14) . .
C31 P1 Ir 114.48(17) . .
C41 P1 Ir 112.71(17) . .
C32 C31 C36 118.7(5) . .
C32 C31 P1 120.1(3) . .
C36 C31 P1 121.1(4) . .
C31 C32 C33 121.6(5) . .
C32 C33 C34 118.5(5) . .
C35 C34 C33 120.4(5) . .
C34 C35 C36 120.7(5) . .
C35 C36 C31 120.0(5) . .
C22 C21 C26 118.6(5) . .
C22 C21 P1 120.1(3) . .
C26 C21 P1 121.3(4) . .
C23 C22 C21 120.7(5) . .
C22 C23 C24 120.0(5) . .
C25 C24 C23 119.9(5) . .
C24 C25 C26 120.5(5) . .
C25 C26 C21 120.2(5) . .
F31 P3 F31 180.000(1) 7_556 .
F31 P3 F32 90.03(14) 7_556 7_556
F31 P3 F32 89.97(14) . 7_556
F31 P3 F32 89.97(14) 7_556 .
F31 P3 F32 90.03(14) . .
F32 P3 F32 180.000(1) 7_556 .
F31 P3 F33 89.78(15) 7_556 7_556
F31 P3 F33 90.22(15) . 7_556
F32 P3 F33 90.16(14) 7_556 7_556
F32 P3 F33 89.84(14) . 7_556
F31 P3 F33 90.22(15) 7_556 .
F31 P3 F33 89.78(15) . .
F32 P3 F33 89.84(14) 7_556 .
F32 P3 F33 90.16(14) . .
F33 P3 F33 180.00(19) 7_556 .
F23 P2 F23 89.3(5) 2 .
F23 P2 F22 178.4(3) 2 .
F23 P2 F22 91.6(3) . .
F23 P2 F22 91.6(3) 2 2
F23 P2 F22 178.4(3) . 2
F22 P2 F22 87.5(5) . 2
F23 P2 F21 89.5(3) 2 2
F23 P2 F21 90.5(2) . 2
F22 P2 F21 91.8(2) . 2
F22 P2 F21 88.1(2) 2 2
F23 P2 F21 90.5(2) 2 .
F23 P2 F21 89.5(3) . .
F22 P2 F21 88.1(2) . .
F22 P2 F21 91.8(2) 2 .
F21 P2 F21 179.9(3) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir C12 1.973(5) .
Ir C2 2.190(5) .
Ir C5 2.239(5) .
Ir C1 2.247(5) .
Ir C4 2.250(5) .
Ir C3 2.264(5) .
Ir P1 2.3063(12) .
Ir Cl 2.4147(12) .
O1 C12 1.317(6) .
O1 C13 1.471(6) .
C1 C5 1.410(9) .
C1 C2 1.433(8) .
C1 C6 1.513(7) .
C2 C3 1.433(7) .
C2 C7 1.494(8) .
C3 C4 1.401(7) .
C3 C8 1.508(7) .
C4 C5 1.444(7) .
C4 C9 1.504(7) .
C5 C10 1.498(9) .
C11 C14 1.355(6) .
C11 C12 1.464(7) .
C14 C111 1.477(7) .
C14 C15 1.479(6) .
C15 C16 1.383(7) .
C15 C110 1.406(7) .
C16 C17 1.394(7) .
C17 C18 1.399(8) .
C18 C19 1.371(8) .
C19 C110 1.390(7) .
C111 C116 1.391(7) .
C111 C112 1.403(7) .
C112 C113 1.379(8) .
C113 C114 1.375(9) .
C114 C115 1.391(9) .
C115 C116 1.383(8) .
P1 C21 1.817(5) .
P1 C31 1.822(5) .
P1 C41 1.823(5) .
C31 C32 1.384(7) .
C31 C36 1.387(7) .
C32 C33 1.385(7) .
C33 C34 1.391(8) .
C34 C35 1.367(9) .
C35 C36 1.384(8) .
C21 C22 1.397(7) .
C21 C26 1.400(6) .
C22 C23 1.378(7) .
C23 C24 1.390(7) .
C24 C25 1.376(7) .
C25 C26 1.385(7) .
P3 F31 1.603(3) 7_556
P3 F31 1.603(3) .
P3 F32 1.603(3) 7_556
P3 F32 1.603(3) .
P3 F33 1.610(3) 7_556
P3 F33 1.610(3) .
P2 F23 1.543(4) 2
P2 F23 1.543(4) .
P2 F22 1.559(4) .
P2 F22 1.559(4) 2
P2 F21 1.591(3) 2
P2 F21 1.591(3) .
