#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:22:40 +0100 (Fri 25 de Mar de 2016) $
#$Revision: 179813 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/09/7010996.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_7010996
loop_
_publ_author_name
'Michael G. B. Drew'
'Vitor Félix'
'Carlos C. Romão'
'Beatriz Royo'
_publ_section_title
;
 Bis-indenyl molybdenum(IV) halide complexes: synthesis and X-ray
 studies
;
_journal_issue                   4
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              584
_journal_page_last               590
_journal_paper_doi               10.1039/b106540h
_journal_year                    2002
_chemical_formula_moiety         '[Ind2Mo{POMe3}2][PF6]2'
_chemical_formula_sum            'C24 H32 F12 Mo O6 P4'
_chemical_formula_weight         864.32
_chemical_name_systematic
; 
? 
;
_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                 99.99(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.447(17)
_cell_length_b                   18.044(23)
_cell_length_c                   14.977(19)
_cell_measurement_temperature    293(2)
_cell_volume                     3313(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_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  0.0241
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11295
_diffrn_reflns_theta_full        25.95
_diffrn_reflns_theta_max         25.95
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    0.694
_exptl_crystal_density_diffrn    1.733
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1736
_refine_diff_density_max         1.188
_refine_diff_density_min         -0.636
_refine_diff_density_rms         0.140
_refine_ls_extinction_coef       0.0069(9)
_refine_ls_extinction_expression Fc^*^==kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     431
_refine_ls_number_reflns         6352
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0853
_refine_ls_R_factor_gt           0.0613
_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)+(0.1225P)²+2.7157P] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1714
_refine_ls_wR_factor_ref         0.1910
_reflns_number_gt                4839
_reflns_number_total             6352
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b106540h.txt
_cod_data_source_block           compound_6_[Ind2Mo{POMe3}2][PF6]2
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w==1/[\s^2^(Fo^2^)+(0.1225P)^2^+2.7157P] where P==(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w==1/[\s^2^(Fo^2^)+(0.1225P)^2^+2.7157P] where P==(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7010996
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.17930(3) 0.07686(2) 0.74028(2) 0.03768(19) Uani 1 d . . .
P1 P 0.27199(12) -0.02982(7) 0.81934(9) 0.0461(3) Uani 1 d . . .
O31 O 0.3474(4) -0.0708(2) 0.7614(3) 0.0639(11) Uani 1 d . . .
C32 C 0.4005(7) -0.1414(4) 0.7793(5) 0.087(2) Uani 1 d . . .
H32A H 0.4648 -0.1354 0.8245 0.104 Uiso 1 calc R . .
H32B H 0.4207 -0.1601 0.7245 0.104 Uiso 1 calc R . .
H32C H 0.3517 -0.1756 0.8007 0.104 Uiso 1 calc R . .
O41 O 0.3448(3) -0.0090(2) 0.9126(3) 0.0592(10) Uani 1 d . . .
C42 C 0.3965(7) -0.0631(4) 0.9795(5) 0.078(2) Uani 1 d . . .
H42A H 0.3536 -0.1076 0.9747 0.094 Uiso 1 calc R . .
H42B H 0.4014 -0.0427 1.0393 0.094 Uiso 1 calc R . .
H42C H 0.4683 -0.0743 0.9682 0.094 Uiso 1 calc R . .
O51 O 0.1967(3) -0.0968(2) 0.8406(3) 0.0570(9) Uani 1 d . . .
C52 C 0.1249(6) -0.0898(4) 0.9067(5) 0.0711(17) Uani 1 d . . .
H52A H 0.1631 -0.0657 0.9600 0.085 Uiso 1 calc R . .
H52B H 0.1019 -0.1382 0.9224 0.085 Uiso 1 calc R . .
H52C H 0.0622 -0.0609 0.8814 0.085 Uiso 1 calc R . .
P2 P 0.35099(12) 0.10232(8) 0.68442(9) 0.0507(4) Uani 1 d . . .
O61 O 0.3286(4) 0.1759(3) 0.6255(3) 0.0867(15) Uani 1 d . . .
C62 C 0.3832(7) 0.2065(6) 0.5605(6) 0.105(3) Uani 1 d . . .
H62A H 0.4506 0.1806 0.5610 0.126 Uiso 1 calc R . .
H62B H 0.3979 0.2579 0.5739 0.126 Uiso 1 calc R . .
H62C H 0.3385 0.2020 0.5016 0.126 Uiso 1 calc R . .
O71 O 0.3954(4) 0.0470(3) 0.6204(3) 0.0777(13) Uani 1 d . . .
C72 C 0.4919(6) 0.0046(5) 0.6341(6) 0.097(3) Uani 1 d . . .
H72A H 0.5474 0.0303 0.6090 0.117 Uiso 1 calc R . .
H72B H 0.4780 -0.0426 0.6046 0.117 Uiso 1 calc R . .
H72C H 0.5162 -0.0029 0.6978 0.117 Uiso 1 calc R . .
O81 O 0.4469(3) 0.1161(3) 0.7667(3) 0.0765(13) Uani 1 d . . .
C82 C 0.5485(8) 0.1528(7) 0.7635(7) 0.138(4) Uani 1 d . . .
H82A H 0.5655 0.1485 0.7036 0.165 Uiso 1 calc R . .
H82B H 0.6054 0.1303 0.8063 0.165 Uiso 1 calc R . .
H82C H 0.5425 0.2042 0.7784 0.165 Uiso 1 calc R . .
C21 C 0.0503(5) -0.0090(3) 0.6872(4) 0.0609(15) Uani 1 d . . .
H21 H 0.0271 -0.0418 0.7278 0.073 Uiso 1 calc R . .
C22 C 0.0056(4) 0.0613(3) 0.6633(3) 0.0540(13) Uani 1 d . . .
H22 H -0.0490 0.0843 0.6884 0.065 Uiso 1 calc R . .
C23 C 0.0585(4) 0.0915(3) 0.5937(3) 0.0495(12) Uani 1 d . . .
C24 C 0.0382(6) 0.1555(4) 0.5394(4) 0.0709(17) Uani 1 d . . .
H24 H -0.0090 0.1921 0.5530 0.085 Uiso 1 calc R . .
C25 C 0.0894(7) 0.1623(5) 0.4670(4) 0.091(2) Uani 1 d . . .
H25 H 0.0754 0.2039 0.4301 0.109 Uiso 1 calc R . .
C26 C 0.1631(7) 0.1084(6) 0.4458(4) 0.087(2) Uani 1 d . . .
H26 H 0.1945 0.1144 0.3942 0.105 Uiso 1 calc R . .
C27 C 0.1889(5) 0.0485(5) 0.4985(4) 0.0748(19) Uani 1 d . . .
H27 H 0.2396 0.0143 0.4849 0.090 Uiso 1 calc R . .
C28 C 0.1375(4) 0.0381(3) 0.5755(3) 0.0525(13) Uani 1 d . . .
C29 C 0.1379(5) -0.0210(3) 0.6383(4) 0.0585(14) Uani 1 d . . .
H29 H 0.1865 -0.0606 0.6462 0.070 Uiso 1 calc R . .
C11 C 0.2639(5) 0.1430(3) 0.8606(3) 0.0520(13) Uani 1 d . . .
H11 H 0.3377 0.1347 0.8817 0.062 Uiso 1 calc R . .
C12 C 0.1753(5) 0.1053(3) 0.8904(3) 0.0548(13) Uani 1 d . . .
H12 H 0.1815 0.0667 0.9322 0.066 Uiso 1 calc R . .
C13 C 0.0774(5) 0.1367(3) 0.8458(3) 0.0504(12) Uani 1 d . . .
C14 C -0.0337(6) 0.1264(4) 0.8578(4) 0.0723(18) Uani 1 d . . .
H14 H -0.0529 0.0888 0.8946 0.087 Uiso 1 calc R . .
C15 C -0.1107(6) 0.1743(5) 0.8126(6) 0.087(2) Uani 1 d . . .
H15 H -0.1826 0.1703 0.8214 0.104 Uiso 1 calc R . .
C16 C -0.0838(6) 0.2288(4) 0.7541(5) 0.079(2) Uani 1 d . . .
H16 H -0.1391 0.2595 0.7250 0.094 Uiso 1 calc R . .
C17 C 0.0198(6) 0.2395(3) 0.7372(4) 0.0648(16) Uani 1 d . . .
H17 H 0.0349 0.2752 0.6963 0.078 Uiso 1 calc R . .
C18 C 0.1035(4) 0.1935(3) 0.7852(3) 0.0459(11) Uani 1 d . . .
C19 C 0.2198(5) 0.1954(3) 0.7929(3) 0.0511(13) Uani 1 d . . .
H19 H 0.2593 0.2254 0.7597 0.061 Uiso 1 calc R . .
P3 P 0.76596(15) -0.07899(10) 0.83454(11) 0.0640(4) Uani 1 d . . .
F31 F 0.7268(9) -0.0096(4) 0.7827(6) 0.228(5) Uani 1 d . . .
F32 F 0.8613(6) -0.0832(5) 0.7818(4) 0.173(4) Uani 1 d . . .
F33 F 0.8369(5) -0.0322(3) 0.9113(3) 0.122(2) Uani 1 d . . .
F34 F 0.6765(6) -0.0841(5) 0.8938(6) 0.183(4) Uani 1 d . . .
F35 F 0.6956(5) -0.1267(4) 0.7579(4) 0.144(3) Uani 1 d . . .
F36 F 0.8128(8) -0.1511(4) 0.8873(5) 0.179(3) Uani 1 d . . .
P4 P 0.69907(15) 0.30210(9) 1.00327(12) 0.0665(5) Uani 1 d . . .
F41 F 0.6275(11) 0.2445(6) 0.9559(7) 0.269(6) Uani 1 d . . .
F42 F 0.6606(6) 0.2786(7) 1.0896(5) 0.207(4) Uani 1 d . . .
F43 F 0.6098(7) 0.3569(5) 0.9797(9) 0.248(6) Uani 1 d . . .
F44 F 0.7435(7) 0.3244(6) 0.9186(5) 0.195(4) Uani 1 d . . .
F45 F 0.7943(7) 0.2482(5) 1.0327(7) 0.198(4) Uani 1 d . . .
F46 F 0.7822(8) 0.3603(5) 1.0523(8) 0.217(4) Uani 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'
Mo Mo -1.6832 0.6857 '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'
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
_geom_angle_publ_flag
C11 Mo1 C21 147.2(2) . . ?
C11 Mo1 C22 137.4(2) . . ?
C21 Mo1 C22 35.9(2) . . ?
C11 Mo1 C19 36.34(19) . . ?
C21 Mo1 C19 148.3(2) . . ?
C22 Mo1 C19 114.7(2) . . ?
C11 Mo1 C12 36.4(2) . . ?
C21 Mo1 C12 111.0(2) . . ?
C22 Mo1 C12 109.8(2) . . ?
C19 Mo1 C12 60.16(19) . . ?
C11 Mo1 C29 160.0(2) . . ?
C21 Mo1 C29 36.2(2) . . ?
C22 Mo1 C29 59.6(2) . . ?
C19 Mo1 C29 159.5(2) . . ?
C12 Mo1 C29 139.8(2) . . ?
C11 Mo1 P1 85.08(14) . . ?
C21 Mo1 P1 83.00(16) . . ?
C22 Mo1 P1 118.30(16) . . ?
C19 Mo1 P1 120.59(14) . . ?
C12 Mo1 P1 77.99(14) . . ?
C29 Mo1 P1 75.69(15) . . ?
C11 Mo1 C13 58.3(2) . . ?
C21 Mo1 C13 96.5(2) . . ?
C22 Mo1 C13 80.13(19) . . ?
C19 Mo1 C13 58.40(18) . . ?
C12 Mo1 C13 34.17(19) . . ?
C29 Mo1 C13 132.6(2) . . ?
P1 Mo1 C13 106.81(13) . . ?
C11 Mo1 C18 58.39(18) . . ?
C21 Mo1 C18 113.6(2) . . ?
C22 Mo1 C18 82.4(2) . . ?
C19 Mo1 C18 34.89(18) . . ?
C12 Mo1 C18 57.87(18) . . ?
C29 Mo1 C18 141.2(2) . . ?
P1 Mo1 C18 135.77(12) . . ?
C13 Mo1 C18 34.34(16) . . ?
C11 Mo1 C23 141.73(19) . . ?
C21 Mo1 C23 58.2(2) . . ?
C22 Mo1 C23 35.01(19) . . ?
C19 Mo1 C23 105.68(19) . . ?
C12 Mo1 C23 137.1(2) . . ?
C29 Mo1 C23 57.56(19) . . ?
P1 Mo1 C23 133.16(13) . . ?
C13 Mo1 C23 103.02(19) . . ?
C18 Mo1 C23 87.02(17) . . ?
C11 Mo1 P2 82.01(16) . . ?
C21 Mo1 P2 127.50(17) . . ?
C22 Mo1 P2 130.60(14) . . ?
C19 Mo1 P2 78.02(14) . . ?
C12 Mo1 P2 116.97(16) . . ?
C29 Mo1 P2 91.43(17) . . ?
P1 Mo1 P2 86.97(5) . . ?
C13 Mo1 P2 135.56(14) . . ?
C18 Mo1 P2 109.29(13) . . ?
C23 Mo1 P2 96.27(14) . . ?
C11 Mo1 C28 155.6(2) . . ?
C21 Mo1 C28 57.1(2) . . ?
C22 Mo1 C28 57.12(18) . . ?
C19 Mo1 C28 125.86(19) . . ?
C12 Mo1 C28 166.6(2) . . ?
C29 Mo1 C28 33.67(19) . . ?
P1 Mo1 C28 104.76(14) . . ?
C13 Mo1 C28 135.31(18) . . ?
C18 Mo1 C28 118.81(17) . . ?
C23 Mo1 C28 33.46(18) . . ?
P2 Mo1 C28 76.40(13) . . ?
O31 P1 O41 107.2(2) . . ?
O31 P1 O51 100.4(2) . . ?
O41 P1 O51 105.7(2) . . ?
O31 P1 Mo1 112.38(16) . . ?
O41 P1 Mo1 113.19(15) . . ?
O51 P1 Mo1 116.73(16) . . ?
C32 O31 P1 127.9(4) . . ?
C42 O41 P1 124.5(4) . . ?
C52 O51 P1 121.5(4) . . ?
O71 P2 O81 106.4(3) . . ?
O71 P2 O61 103.9(3) . . ?
O81 P2 O61 109.7(3) . . ?
O71 P2 Mo1 120.8(2) . . ?
O81 P2 Mo1 110.24(17) . . ?
O61 P2 Mo1 105.3(2) . . ?
C62 O61 P2 131.1(6) . . ?
C72 O71 P2 130.2(5) . . ?
C82 O81 P2 126.6(5) . . ?
C22 C21 C29 108.0(5) . . ?
C22 C21 Mo1 72.5(3) . . ?
C29 C21 Mo1 74.2(3) . . ?
C21 C22 C23 108.5(5) . . ?
C21 C22 Mo1 71.6(3) . . ?
C23 C22 Mo1 78.8(3) . . ?
C24 C23 C22 132.2(6) . . ?
C24 C23 C28 120.0(5) . . ?
C22 C23 C28 107.4(5) . . ?
C24 C23 Mo1 128.7(4) . . ?
C22 C23 Mo1 66.2(3) . . ?
C28 C23 Mo1 76.4(3) . . ?
C25 C24 C23 118.3(7) . . ?
C24 C25 C26 122.1(7) . . ?
C27 C26 C25 121.4(6) . . ?
C26 C27 C28 119.1(7) . . ?
C29 C28 C27 133.2(6) . . ?
C29 C28 C23 107.6(5) . . ?
C27 C28 C23 118.9(6) . . ?
C29 C28 Mo1 65.5(3) . . ?
C27 C28 Mo1 135.0(4) . . ?
C23 C28 Mo1 70.2(3) . . ?
C28 C29 C21 108.0(5) . . ?
C28 C29 Mo1 80.8(3) . . ?
C21 C29 Mo1 69.6(3) . . ?
C19 C11 C12 108.3(5) . . ?
C19 C11 Mo1 73.4(3) . . ?
C12 C11 Mo1 73.8(3) . . ?
C13 C12 C11 108.2(5) . . ?
C13 C12 Mo1 77.9(3) . . ?
C11 C12 Mo1 69.8(3) . . ?
C12 C13 C14 131.5(5) . . ?
C12 C13 C18 108.3(5) . . ?
C14 C13 C18 119.8(5) . . ?
C12 C13 Mo1 68.0(3) . . ?
C14 C13 Mo1 130.0(4) . . ?
C18 C13 Mo1 73.1(3) . . ?
C15 C14 C13 117.3(6) . . ?
C14 C15 C16 122.0(7) . . ?
C17 C16 C15 123.4(7) . . ?
C16 C17 C18 117.0(6) . . ?
C17 C18 C19 131.8(5) . . ?
C17 C18 C13 120.4(5) . . ?
C19 C18 C13 107.5(4) . . ?
C17 C18 Mo1 130.2(4) . . ?
C19 C18 Mo1 67.1(3) . . ?
C13 C18 Mo1 72.6(3) . . ?
C11 C19 C18 107.5(5) . . ?
C11 C19 Mo1 70.2(3) . . ?
C18 C19 Mo1 78.1(3) . . ?
F31 P3 F32 89.2(6) . . ?
F31 P3 F34 98.3(6) . . ?
F32 P3 F34 172.5(5) . . ?
F31 P3 F33 91.2(4) . . ?
F32 P3 F33 90.9(4) . . ?
F34 P3 F33 88.9(3) . . ?
F31 P3 F35 89.4(4) . . ?
F32 P3 F35 88.9(4) . . ?
F34 P3 F35 91.2(4) . . ?
F33 P3 F35 179.4(4) . . ?
F31 P3 F36 177.1(6) . . ?
F32 P3 F36 88.0(5) . . ?
F34 P3 F36 84.4(5) . . ?
F33 P3 F36 88.0(4) . . ?
F35 P3 F36 91.4(5) . . ?
F41 P4 F43 89.4(7) . . ?
F41 P4 F42 87.6(6) . . ?
F43 P4 F42 93.1(5) . . ?
F41 P4 F44 93.6(6) . . ?
F43 P4 F44 89.5(5) . . ?
F42 P4 F44 177.1(4) . . ?
F41 P4 F45 93.6(7) . . ?
F43 P4 F45 176.5(7) . . ?
F42 P4 F45 85.4(5) . . ?
F44 P4 F45 91.9(4) . . ?
F41 P4 F46 176.1(7) . . ?
F43 P4 F46 94.1(6) . . ?
F42 P4 F46 93.9(6) . . ?
F44 P4 F46 84.7(6) . . ?
F45 P4 F46 82.9(6) . . ?
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
Mo1 C11 2.263(5) . ?
Mo1 C21 2.272(5) . ?
Mo1 C22 2.284(5) . ?
Mo1 C19 2.305(5) . ?
Mo1 C12 2.316(5) . ?
Mo1 C29 2.334(5) . ?
Mo1 P1 2.4422(13) . ?
Mo1 C13 2.443(5) . ?
Mo1 C18 2.449(5) . ?
Mo1 C23 2.450(5) . ?
Mo1 P2 2.4694(15) . ?
Mo1 C28 2.531(5) . ?
P1 O31 1.570(4) . ?
P1 O41 1.573(4) . ?
P1 O51 1.596(4) . ?
O31 C32 1.438(7) . ?
O41 C42 1.464(7) . ?
O51 C52 1.449(7) . ?
P2 O71 1.550(5) . ?
P2 O81 1.580(4) . ?
P2 O61 1.592(5) . ?
O61 C62 1.394(8) . ?
O71 C72 1.410(8) . ?
O81 C82 1.436(9) . ?
C21 C22 1.406(9) . ?
C21 C29 1.432(9) . ?
C22 C23 1.433(8) . ?
C23 C24 1.411(8) . ?
C23 C28 1.436(8) . ?
C24 C25 1.354(10) . ?
C25 C26 1.412(12) . ?
C26 C27 1.344(12) . ?
C27 C28 1.426(8) . ?
C28 C29 1.421(8) . ?
C11 C19 1.425(7) . ?
C11 C12 1.432(8) . ?
C12 C13 1.403(8) . ?
C13 C14 1.437(8) . ?
C13 C18 1.444(7) . ?
C14 C15 1.379(11) . ?
C15 C16 1.396(11) . ?
C16 C17 1.371(10) . ?
C17 C18 1.425(8) . ?
C18 C19 1.432(8) . ?
P3 F31 1.509(7) . ?
P3 F32 1.538(6) . ?
P3 F34 1.542(6) . ?
P3 F33 1.569(5) . ?
P3 F35 1.574(6) . ?
P3 F36 1.581(7) . ?
P4 F41 1.469(7) . ?
P4 F43 1.483(7) . ?
P4 F42 1.516(6) . ?
P4 F44 1.522(6) . ?
P4 F45 1.538(6) . ?
P4 F46 1.564(8) . ?
