#------------------------------------------------------------------------------
#$Date: 2018-08-17 00:36:15 +0300 (Fri, 17 Aug 2018) $
#$Revision: 209826 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/07/46/4074682.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_4074682
loop_
_publ_author_name
'Teo, Shihui'
'Weng, Zhiqiang'
'Hor, T. S. Andy'
_publ_section_title
;
 1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling
 of Aryl Chlorides
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1199
_journal_page_last               1205
_journal_paper_doi               10.1021/om050791j
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C38 H41 Cl2 F5 Fe I O2 P Pd'
_chemical_formula_weight         1015.73
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 98.876(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9657(8)
_cell_length_b                   16.0604(11)
_cell_length_c                   20.2335(14)
_cell_measurement_reflns_used    5471
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      28.17
_cell_measurement_theta_min      2.40
_cell_volume                     3841.8(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0499
_diffrn_reflns_av_sigmaI/netI    0.0597
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            26142
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    1.888
_exptl_absorpt_correction_T_max  0.8337
_exptl_absorpt_correction_T_min  0.6013
_exptl_absorpt_correction_type   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            DARK
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2016
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.959
_refine_diff_density_min         -0.820
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         8828
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0994
_refine_ls_R_factor_gt           0.0651
_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)+(0.1024P)²+4.4362P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1683
_refine_ls_wR_factor_ref         0.1901
_reflns_number_gt                5914
_reflns_number_total             8828
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050791jsi20050913_114556.cif
_cod_data_source_block           5035
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4074682
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Pd1 Pd 0.54419(4) 0.94215(3) 0.08360(2) 0.03771(16) Uani 1 1 d .
I1 I 0.38704(4) 1.05342(3) 0.03513(2) 0.05167(17) Uani 1 1 d .
Fe1 Fe 0.73153(8) 0.72940(6) 0.28071(4) 0.0404(2) Uani 1 1 d .
P1 P 0.66979(13) 0.84211(10) 0.12595(7) 0.0334(3) Uani 1 1 d .
O1 O 0.9294(5) 0.8280(4) 0.4111(3) 0.0649(14) Uani 1 1 d .
O2 O 0.9794(4) 0.8537(3) 0.3098(3) 0.0579(13) Uani 1 1 d .
F1 F 0.3470(4) 0.8445(4) 0.1279(3) 0.0840(15) Uani 1 1 d .
F2 F 0.2422(5) 0.8487(5) 0.2330(3) 0.113(2) Uani 1 1 d .
F3 F 0.3222(5) 0.9496(4) 0.3387(3) 0.100(2) Uani 1 1 d .
F4 F 0.5037(5) 1.0466(4) 0.3305(3) 0.0904(18) Uani 1 1 d .
F5 F 0.6018(4) 1.0467(3) 0.2207(3) 0.0708(13) Uani 1 1 d .
C1 C 0.4760(6) 0.9450(4) 0.1694(4) 0.0448(16) Uani 1 1 d U
C2 C 0.3868(4) 0.8921(3) 0.1719(2) 0.0215(10) Uani 1 1 d U
C3 C 0.3336(7) 0.8967(6) 0.2297(4) 0.066(2) Uani 1 1 d U
C4 C 0.3723(8) 0.9483(6) 0.2829(4) 0.065(2) Uani 1 1 d U
C5 C 0.4640(7) 0.9976(6) 0.2793(4) 0.061(2) Uani 1 1 d .
C6 C 0.5128(6) 0.9961(4) 0.2203(3) 0.0449(15) Uani 1 1 d .
C7 C 0.9717(6) 0.7892(5) 0.3572(4) 0.0499(17) Uani 1 1 d .
C8 C 1.0109(10) 0.9267(6) 0.3477(5) 0.084(3) Uani 1 1 d .
H8A H 0.9758 0.9762 0.3249 0.101 Uiso 1 1 calc R
H8B H 1.0932 0.9339 0.3553 0.101 Uiso 1 1 calc R
C9 C 0.9668(11) 0.9117(7) 0.4132(6) 0.100(4) Uani 1 1 d .
H9A H 1.0269 0.9205 0.4513 0.120 Uiso 1 1 calc R
H9B H 0.9041 0.9496 0.4175 0.120 Uiso 1 1 calc R
C10 C 1.0886(6) 0.7512(5) 0.3811(4) 0.0570(19) Uani 1 1 d .
C11 C 1.1184(9) 0.7208(7) 0.4432(5) 0.088(3) Uani 1 1 d .
H11 H 1.0684 0.7263 0.4745 0.105 Uiso 1 1 calc R
C12 C 1.2200(11) 0.6820(8) 0.4617(7) 0.109(4) Uani 1 1 d .
H12 H 1.2388 0.6613 0.5055 0.131 Uiso 1 1 calc R
C13 C 1.2923(9) 0.6731(7) 0.4188(8) 0.108(5) Uani 1 1 d .
H13 H 1.3630 0.6483 0.4330 0.129 Uiso 1 1 calc R
C14 C 1.2654(9) 0.6996(9) 0.3540(8) 0.115(4) Uani 1 1 d .
H14 H 1.3155 0.6914 0.3231 0.138 Uiso 1 1 calc R
C15 C 1.1606(7) 0.7395(7) 0.3350(6) 0.087(3) Uani 1 1 d .
H15 H 1.1398 0.7581 0.2908 0.104 Uiso 1 1 calc R
C16 C 0.6518(5) 0.8065(4) 0.2082(3) 0.0390(14) Uani 1 1 d .
C17 C 0.5753(6) 0.7453(5) 0.2255(3) 0.0482(17) Uani 1 1 d .
H17 H 0.5342 0.7039 0.1946 0.058 Uiso 1 1 calc R
C18 C 0.5690(6) 0.7530(6) 0.2936(4) 0.059(2) Uani 1 1 d .
H18 H 0.5226 0.7179 0.3191 0.071 Uiso 1 1 calc R
C19 C 0.6402(7) 0.8180(6) 0.3200(3) 0.059(2) Uani 1 1 d .
H19 H 0.6522 0.8368 0.3672 0.071 Uiso 1 1 calc R
C20 C 0.6914(6) 0.8518(4) 0.2687(3) 0.0457(16) Uani 1 1 d .
H20 H 0.7457 0.8987 0.2731 0.055 Uiso 1 1 calc R
C21 C 0.8949(5) 0.7223(4) 0.3282(3) 0.0438(15) Uani 1 1 d .
C22 C 0.8856(6) 0.6883(5) 0.2622(3) 0.0468(16) Uani 1 1 d .
H22 H 0.9260 0.7088 0.2263 0.056 Uiso 1 1 calc R
C23 C 0.8084(6) 0.6212(4) 0.2565(4) 0.0487(16) Uani 1 1 d .
H23 H 0.7854 0.5864 0.2164 0.058 Uiso 1 1 calc R
C24 C 0.7697(6) 0.6136(5) 0.3187(4) 0.0528(18) Uani 1 1 d .
H24 H 0.7143 0.5720 0.3297 0.063 Uiso 1 1 calc R
C25 C 0.8229(6) 0.6749(5) 0.3626(3) 0.0472(17) Uani 1 1 d .
H25 H 0.8114 0.6834 0.4095 0.057 Uiso 1 1 calc R
C26 C 0.8194(5) 0.8777(4) 0.1347(3) 0.0415(14) Uani 1 1 d .
H26 H 0.8619 0.8479 0.1735 0.050 Uiso 1 1 calc R
C27 C 0.8285(6) 0.9711(5) 0.1507(4) 0.0530(18) Uani 1 1 d .
H27A H 0.7866 1.0026 0.1133 0.064 Uiso 1 1 calc R
H27B H 0.7939 0.9825 0.1906 0.064 Uiso 1 1 calc R
C28 C 0.9512(7) 1.0000(6) 0.1627(4) 0.069(2) Uani 1 1 d .
H28A H 0.9539 1.0603 0.1706 0.083 Uiso 1 1 calc R
H28B H 0.9915 0.9726 0.2027 0.083 Uiso 1 1 calc R
C29 C 1.0078(8) 0.9802(6) 0.1045(5) 0.073(3) Uani 1 1 d .
H29A H 1.0876 0.9963 0.1143 0.087 Uiso 1 1 calc R
H29B H 0.9725 1.0124 0.0656 0.087 Uiso 1 1 calc R
C30 C 0.9992(7) 0.8891(6) 0.0883(5) 0.068(2) Uani 1 1 d .
H30A H 1.0407 0.8574 0.1257 0.082 Uiso 1 1 calc R
H30B H 1.0347 0.8782 0.0486 0.082 Uiso 1 1 calc R
C31 C 0.8776(5) 0.8597(5) 0.0754(3) 0.0505(17) Uani 1 1 d .
H31A H 0.8374 0.8879 0.0358 0.061 Uiso 1 1 calc R
H31B H 0.8756 0.7997 0.0665 0.061 Uiso 1 1 calc R
C32 C 0.6528(5) 0.7532(4) 0.0678(3) 0.0402(14) Uani 1 1 d .
H32 H 0.6820 0.7725 0.0273 0.048 Uiso 1 1 calc R
C33 C 0.7209(6) 0.6756(4) 0.0907(3) 0.0472(16) Uani 1 1 d .
H33A H 0.6900 0.6493 0.1276 0.057 Uiso 1 1 calc R
H33B H 0.7997 0.6909 0.1067 0.057 Uiso 1 1 calc R
C34 C 0.7158(7) 0.6144(5) 0.0322(4) 0.063(2) Uani 1 1 d .
H34A H 0.7533 0.6390 -0.0029 0.076 Uiso 1 1 calc R
H34B H 0.7562 0.5633 0.0477 0.076 Uiso 1 1 calc R
C35 C 0.5942(8) 0.5935(6) 0.0037(5) 0.073(3) Uani 1 1 d .
H35A H 0.5934 0.5594 -0.0365 0.088 Uiso 1 1 calc R
H35B H 0.5611 0.5604 0.0365 0.088 Uiso 1 1 calc R
C36 C 0.5236(7) 0.6683(6) -0.0137(4) 0.066(2) Uani 1 1 d .
H36A H 0.4449 0.6511 -0.0273 0.079 Uiso 1 1 calc R
H36B H 0.5487 0.6964 -0.0518 0.079 Uiso 1 1 calc R
C37 C 0.5293(6) 0.7296(5) 0.0443(3) 0.0513(18) Uani 1 1 d .
H37A H 0.4972 0.7041 0.0812 0.062 Uiso 1 1 calc R
H37B H 0.4852 0.7796 0.0298 0.062 Uiso 1 1 calc R
C1S C 0.218(2) 0.6501(15) 0.1318(14) 0.285(18) Uani 1 1 d .
H1S1 H 0.2452 0.7071 0.1279 0.342 Uiso 1 1 calc R
H1S2 H 0.2513 0.6279 0.1755 0.342 Uiso 1 1 calc R
Cl1 Cl 0.2526(6) 0.5924(6) 0.0722(6) 0.296(5) Uani 1 1 d .
Cl2 Cl 0.0712(7) 0.6498(4) 0.1247(5) 0.287(5) 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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
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 Pd1 P1 91.34(17) . .
C1 Pd1 I1 173.73(18) . 3_675
P1 Pd1 I1 94.62(4) . 3_675
C1 Pd1 I1 86.88(17) . .
P1 Pd1 I1 176.62(5) . .
I1 Pd1 I1 87.061(19) 3_675 .
Pd1 I1 Pd1 92.939(19) 3_675 .
C20 Fe1 C19 40.2(3) . .
C20 Fe1 C24 164.7(3) . .
C19 Fe1 C24 126.5(3) . .
C20 Fe1 C25 127.0(3) . .
C19 Fe1 C25 103.7(3) . .
C24 Fe1 C25 40.5(3) . .
C20 Fe1 C18 67.8(3) . .
C19 Fe1 C18 40.3(3) . .
C24 Fe1 C18 106.5(3) . .
C25 Fe1 C18 112.3(3) . .
C20 Fe1 C17 68.5(3) . .
C19 Fe1 C17 67.9(3) . .
C24 Fe1 C17 117.0(3) . .
C25 Fe1 C17 146.2(3) . .
C18 Fe1 C17 40.1(3) . .
C20 Fe1 C16 41.4(3) . .
C19 Fe1 C16 68.7(3) . .
C24 Fe1 C16 151.4(3) . .
C25 Fe1 C16 168.1(3) . .
C18 Fe1 C16 68.3(3) . .
C17 Fe1 C16 40.8(3) . .
C20 Fe1 C21 107.6(3) . .
C19 Fe1 C21 112.9(3) . .
C24 Fe1 C21 68.2(3) . .
C25 Fe1 C21 40.4(3) . .
C18 Fe1 C21 144.4(3) . .
C17 Fe1 C21 173.4(3) . .
C16 Fe1 C21 132.8(3) . .
C20 Fe1 C22 119.6(3) . .
C19 Fe1 C22 148.5(3) . .
C24 Fe1 C22 67.6(3) . .
C25 Fe1 C22 67.9(3) . .
C18 Fe1 C22 171.2(3) . .
C17 Fe1 C22 135.7(3) . .
C16 Fe1 C22 113.5(3) . .
C21 Fe1 C22 40.9(3) . .
C20 Fe1 C23 153.5(3) . .
C19 Fe1 C23 166.3(3) . .
C24 Fe1 C23 40.3(3) . .
C25 Fe1 C23 68.1(3) . .
C18 Fe1 C23 131.1(3) . .
C17 Fe1 C23 112.4(3) . .
C16 Fe1 C23 121.1(3) . .
C21 Fe1 C23 68.6(3) . .
C22 Fe1 C23 40.2(3) . .
C16 P1 C32 109.0(3) . .
C16 P1 C26 105.0(3) . .
C32 P1 C26 108.0(3) . .
C16 P1 Pd1 113.9(2) . .
C32 P1 Pd1 107.8(2) . .
C26 P1 Pd1 112.9(2) . .
C9 O1 C7 107.0(7) . .
C8 O2 C7 106.1(6) . .
C6 C1 C2 121.3(7) . .
C6 C1 Pd1 123.0(6) . .
C2 C1 Pd1 115.7(5) . .
F1 C2 C1 125.8(5) . .
F1 C2 C3 117.5(6) . .
C1 C2 C3 116.6(6) . .
F2 C3 C4 118.8(8) . .
F2 C3 C2 118.9(8) . .
C4 C3 C2 122.3(7) . .
F3 C4 C5 119.9(9) . .
F3 C4 C3 121.3(8) . .
C5 C4 C3 118.9(7) . .
F4 C5 C4 119.7(7) . .
F4 C5 C6 121.7(8) . .
C4 C5 C6 118.6(8) . .
C1 C6 F5 123.0(7) . .
C1 C6 C5 122.1(7) . .
F5 C6 C5 114.8(7) . .
O1 C7 O2 105.4(6) . .
O1 C7 C21 110.6(6) . .
O2 C7 C21 111.3(6) . .
O1 C7 C10 110.4(6) . .
O2 C7 C10 110.6(6) . .
C21 C7 C10 108.5(6) . .
O2 C8 C9 103.9(7) . .
O1 C9 C8 106.0(8) . .
C11 C10 C15 118.7(9) . .
C11 C10 C7 122.5(8) . .
C15 C10 C7 118.4(7) . .
C10 C11 C12 121.3(12) . .
C13 C12 C11 120.8(12) . .
C12 C13 C14 120.9(11) . .
C13 C14 C15 118.1(12) . .
C10 C15 C14 120.0(11) . .
C17 C16 C20 106.2(6) . .
C17 C16 P1 128.3(5) . .
C20 C16 P1 123.7(5) . .
C17 C16 Fe1 69.6(4) . .
C20 C16 Fe1 68.8(3) . .
P1 C16 Fe1 138.3(3) . .
C18 C17 C16 108.5(7) . .
C18 C17 Fe1 69.9(4) . .
C16 C17 Fe1 69.6(4) . .
C17 C18 C19 108.7(7) . .
C17 C18 Fe1 70.1(4) . .
C19 C18 Fe1 69.6(4) . .
C20 C19 C18 108.5(6) . .
C20 C19 Fe1 69.9(4) . .
C18 C19 Fe1 70.2(5) . .
C19 C20 C16 108.2(7) . .
C19 C20 Fe1 70.0(4) . .
C16 C20 Fe1 69.7(4) . .
C25 C21 C22 106.8(6) . .
C25 C21 C7 126.0(6) . .
C22 C21 C7 127.1(6) . .
C25 C21 Fe1 69.5(4) . .
C22 C21 Fe1 69.6(4) . .
C7 C21 Fe1 129.6(5) . .
C23 C22 C21 108.8(6) . .
C23 C22 Fe1 70.4(4) . .
C21 C22 Fe1 69.4(4) . .
C24 C23 C22 107.1(6) . .
C24 C23 Fe1 69.0(4) . .
C22 C23 Fe1 69.4(4) . .
C25 C24 C23 108.8(6) . .
C25 C24 Fe1 69.8(4) . .
C23 C24 Fe1 70.7(4) . .
C24 C25 C21 108.5(6) . .
C24 C25 Fe1 69.8(4) . .
C21 C25 Fe1 70.1(4) . .
C31 C26 C27 109.2(6) . .
C31 C26 P1 114.9(4) . .
C27 C26 P1 110.8(5) . .
C28 C27 C26 111.5(6) . .
C29 C28 C27 110.8(7) . .
C28 C29 C30 111.0(7) . .
C29 C30 C31 111.9(7) . .
C26 C31 C30 110.6(6) . .
C33 C32 C37 109.8(6) . .
C33 C32 P1 116.1(4) . .
C37 C32 P1 113.4(5) . .
C32 C33 C34 109.6(6) . .
C35 C34 C33 111.0(7) . .
C36 C35 C34 112.9(7) . .
C35 C36 C37 112.7(7) . .
C36 C37 C32 109.0(6) . .
Cl1 C1S Cl2 108.0(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C1 2.031(7) .
Pd1 P1 2.2753(16) .
Pd1 I1 2.6577(6) 3_675
Pd1 I1 2.6687(6) .
I1 Pd1 2.6577(6) 3_675
Fe1 C20 2.029(7) .
Fe1 C19 2.030(8) .
Fe1 C24 2.037(7) .
Fe1 C25 2.037(6) .
Fe1 C18 2.038(7) .
Fe1 C17 2.041(7) .
Fe1 C16 2.041(6) .
Fe1 C21 2.045(6) .
Fe1 C22 2.047(7) .
Fe1 C23 2.059(7) .
P1 C16 1.803(6) .
P1 C32 1.841(6) .
P1 C26 1.862(6) .
O1 C9 1.415(11) .
O1 C7 1.416(9) .
O2 C8 1.420(10) .
O2 C7 1.424(8) .
F1 C2 1.214(7) .
F2 C3 1.348(10) .
F3 C4 1.359(9) .
F4 C5 1.329(10) .
F5 C6 1.338(8) .
C1 C6 1.337(10) .
C1 C2 1.371(9) .
C2 C3 1.418(10) .
C3 C4 1.381(13) .
C4 C5 1.364(13) .
C5 C6 1.407(10) .
C7 C21 1.475(10) .
C7 C10 1.534(10) .
C8 C9 1.520(16) .
C10 C11 1.343(12) .
C10 C15 1.378(13) .
C11 C12 1.365(14) .
C12 C13 1.325(18) .
C13 C14 1.367(18) .
C14 C15 1.407(14) .
C16 C17 1.423(10) .
C16 C20 1.440(9) .
C17 C18 1.397(10) .
C18 C19 1.400(12) .
C19 C20 1.394(10) .
C21 C25 1.411(9) .
C21 C22 1.431(10) .
C22 C23 1.412(10) .
C23 C24 1.412(10) .
C24 C25 1.410(10) .
C26 C31 1.506(9) .
C26 C27 1.535(10) .
C27 C28 1.523(10) .
C28 C29 1.481(12) .
C29 C30 1.499(12) .
C30 C31 1.515(10) .
C32 C33 1.521(9) .
C32 C37 1.529(9) .
C33 C34 1.531(10) .
C34 C35 1.518(12) .
C35 C36 1.479(13) .
C36 C37 1.525(10) .
C1S Cl1 1.627(17) .
C1S Cl2 1.74(2) .
