#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:26:16 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179790 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/86/7008652.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_7008652
loop_
_publ_author_name
'Devoy, Sarah M.'
'Henderson, William'
'Nicholson, Brian K.'
'Fawcett, John'
'Hor, T. S. Andy'
_publ_section_title
;
 Syntheses and ligand interconversions of copper(II) derivatives of the
 metalloligand [Pt2(mu-S)2(PPh3)4].
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2780
_journal_page_last               2787
_journal_paper_doi               10.1039/b505648a
_journal_year                    2005
_chemical_formula_moiety         '(C77 H67 Cu O2 P4 Pt2 S2)(F6 P).(C H2 Cl2)'
_chemical_formula_sum            'C78 H69 Cl2 Cu F6 O2 P5 Pt2 S2'
_chemical_formula_weight         1895.92
_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                 101.785(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.290(6)
_cell_length_b                   16.474(5)
_cell_length_c                   24.193(7)
_cell_measurement_reflns_used    9134
_cell_measurement_temperature    290(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.21
_cell_volume                     7526(4)
_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      290(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0699
_diffrn_reflns_av_sigmaI/netI    0.0553
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            31103
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    4.282
_exptl_absorpt_correction_T_max  0.604
_exptl_absorpt_correction_T_min  0.320
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
absorption correction based on 13511 reflections (SADABS); Rint 0.105 before
correction and 0.030 after.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.673
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3732
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.846
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         8205
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0397
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0445P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0821
_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                5942
_reflns_number_total             8205
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b505648a.txt
_cod_data_source_block           03053
_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 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7008652
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
Pt1 Pt 0.514294(9) 0.275783(12) 0.820138(6) 0.04502(8) Uani 1 1 d . . .
Cu1 Cu 0.5000 0.42205(6) 0.7500 0.0643(3) Uani 1 2 d S . .
S1 S 0.57847(6) 0.31670(9) 0.75364(4) 0.0520(3) Uani 1 1 d . . .
P1 P 0.61399(7) 0.24823(8) 0.88526(5) 0.0469(3) Uani 1 1 d . . .
P2 P 0.43211(7) 0.25295(11) 0.87405(5) 0.0613(4) Uani 1 1 d . . .
O1 O 0.4338(2) 0.5017(3) 0.71124(15) 0.0816(12) Uani 1 1 d . . .
C1 C 0.4437(3) 0.5776(4) 0.7160(2) 0.0758(17) Uani 1 1 d . . .
C2 C 0.3849(4) 0.6293(4) 0.6818(3) 0.095(2) Uani 1 1 d . . .
H2A H 0.3392 0.6025 0.6801 0.143 Uiso 1 1 d R . .
H2B H 0.3933 0.6360 0.6435 0.143 Uiso 1 1 d R . .
H2C H 0.3845 0.6826 0.6996 0.143 Uiso 1 1 d R . .
C3 C 0.5000 0.6159(6) 0.7500 0.083(3) Uani 1 2 d S . .
H3 H 0.5000 0.6736 0.7500 0.100 Uiso 1 2 calc SR . .
C4 C 0.6247(3) 0.3264(3) 0.93948(18) 0.0548(12) Uani 1 1 d . . .
C5 C 0.6185(3) 0.4057(4) 0.9202(2) 0.0676(15) Uani 1 1 d . . .
H5 H 0.6093 0.4160 0.8808 0.081 Uiso 1 1 calc R . .
C6 C 0.6252(4) 0.4688(4) 0.9566(2) 0.087(2) Uani 1 1 d . . .
H6 H 0.6211 0.5229 0.9427 0.105 Uiso 1 1 calc R . .
C7 C 0.6381(4) 0.4544(5) 1.0140(3) 0.098(2) Uani 1 1 d . . .
H7 H 0.6437 0.4987 1.0397 0.118 Uiso 1 1 calc R . .
C8 C 0.6426(4) 0.3773(5) 1.0336(2) 0.089(2) Uani 1 1 d . . .
H8 H 0.6502 0.3677 1.0731 0.107 Uiso 1 1 calc R . .
C9 C 0.6364(3) 0.3125(4) 0.9968(2) 0.0669(15) Uani 1 1 d . . .
H9 H 0.6402 0.2585 1.0109 0.080 Uiso 1 1 calc R . .
C10 C 0.6972(2) 0.2526(3) 0.86054(19) 0.0465(11) Uani 1 1 d . . .
C11 C 0.7500(3) 0.3074(3) 0.8789(2) 0.0609(13) Uani 1 1 d . . .
H11 H 0.7443 0.3467 0.9063 0.073 Uiso 1 1 calc R . .
C12 C 0.8118(3) 0.3066(4) 0.8580(3) 0.0803(17) Uani 1 1 d . . .
H12 H 0.8482 0.3448 0.8714 0.096 Uiso 1 1 calc R . .
C13 C 0.8202(4) 0.2506(5) 0.8181(3) 0.087(2) Uani 1 1 d . . .
H13 H 0.8620 0.2506 0.8030 0.105 Uiso 1 1 calc R . .
C14 C 0.7682(4) 0.1948(5) 0.8000(3) 0.089(2) Uani 1 1 d . . .
H14 H 0.7745 0.1551 0.7730 0.107 Uiso 1 1 calc R . .
C15 C 0.7061(3) 0.1952(4) 0.8207(2) 0.0667(15) Uani 1 1 d . . .
H15 H 0.6699 0.1565 0.8076 0.080 Uiso 1 1 calc R . .
C16 C 0.6197(3) 0.1479(3) 0.9156(2) 0.0554(12) Uani 1 1 d . . .
C17 C 0.6714(3) 0.1260(4) 0.9618(2) 0.0705(16) Uani 1 1 d . . .
H17 H 0.7046 0.1652 0.9798 0.085 Uiso 1 1 calc R . .
C18 C 0.6746(4) 0.0491(5) 0.9815(3) 0.100(2) Uani 1 1 d . . .
H18 H 0.7094 0.0350 1.0138 0.120 Uiso 1 1 calc R . .
C19 C 0.6290(4) -0.0080(5) 0.9557(3) 0.116(3) Uani 1 1 d . . .
H19 H 0.6312 -0.0616 0.9706 0.140 Uiso 1 1 calc R . .
C20 C 0.5799(4) 0.0106(5) 0.9088(3) 0.114(3) Uani 1 1 d . . .
H20 H 0.5492 -0.0301 0.8897 0.137 Uiso 1 1 calc R . .
C21 C 0.5753(3) 0.0887(4) 0.8892(3) 0.0827(18) Uani 1 1 d . . .
H21 H 0.5405 0.1021 0.8567 0.099 Uiso 1 1 calc R . .
C22 C 0.4581(3) 0.2506(5) 0.9512(2) 0.0762(18) Uani 1 1 d . . .
C23 C 0.4802(3) 0.1788(5) 0.9777(2) 0.093(2) Uani 1 1 d . . .
H23 H 0.4815 0.1308 0.9563 0.112 Uiso 1 1 calc R . .
C24 C 0.5008(4) 0.1767(7) 1.0364(3) 0.115(3) Uani 1 1 d . . .
H24 H 0.5171 0.1274 1.0550 0.138 Uiso 1 1 calc R . .
C25 C 0.4976(4) 0.2442(9) 1.0665(3) 0.147(5) Uani 1 1 d . . .
H25 H 0.5098 0.2415 1.1066 0.177 Uiso 1 1 calc R . .
C26 C 0.4769(4) 0.3184(8) 1.0407(3) 0.142(4) Uani 1 1 d . . .
H26 H 0.4771 0.3666 1.0623 0.170 Uiso 1 1 calc R . .
C27 C 0.4561(3) 0.3195(6) 0.9822(2) 0.104(3) Uani 1 1 d . . .
H27 H 0.4403 0.3689 0.9636 0.124 Uiso 1 1 calc R . .
C28 C 0.3830(3) 0.1596(4) 0.8571(2) 0.0738(18) Uani 1 1 d . . .
C29 C 0.3357(3) 0.1327(6) 0.8895(3) 0.104(3) Uani 1 1 d . . .
H29 H 0.3299 0.1618 0.9221 0.125 Uiso 1 1 calc R . .
C30 C 0.2974(5) 0.0630(8) 0.8734(4) 0.135(4) Uani 1 1 d . . .
H30 H 0.2654 0.0442 0.8957 0.162 Uiso 1 1 calc R . .
C31 C 0.3036(5) 0.0208(6) 0.8273(4) 0.136(4) Uani 1 1 d . . .
H31 H 0.2756 -0.0263 0.8169 0.163 Uiso 1 1 calc R . .
C32 C 0.3507(4) 0.0460(5) 0.7950(3) 0.101(2) Uani 1 1 d . . .
H32 H 0.3555 0.0160 0.7625 0.121 Uiso 1 1 calc R . .
C33 C 0.3911(3) 0.1155(4) 0.8099(3) 0.0758(17) Uani 1 1 d . . .
H33 H 0.4240 0.1327 0.7880 0.091 Uiso 1 1 calc R . .
C34 C 0.3675(3) 0.3351(5) 0.8600(2) 0.080(2) Uani 1 1 d . . .
C35 C 0.2946(4) 0.3205(6) 0.8475(3) 0.110(3) Uani 1 1 d . . .
H35 H 0.2774 0.2665 0.8480 0.132 Uiso 1 1 calc R . .
C36 C 0.2478(7) 0.3833(9) 0.8348(4) 0.165(6) Uani 1 1 d . . .
H36 H 0.1983 0.3730 0.8253 0.198 Uiso 1 1 calc R . .
C37 C 0.2721(9) 0.4596(10) 0.8356(5) 0.184(8) Uani 1 1 d . . .
H37 H 0.2390 0.5030 0.8289 0.221 Uiso 1 1 calc R . .
C38 C 0.3450(6) 0.4778(6) 0.8462(3) 0.133(4) Uani 1 1 d . . .
H38 H 0.3612 0.5320 0.8448 0.159 Uiso 1 1 calc R . .
C39 C 0.3918(4) 0.4145(5) 0.8586(2) 0.094(2) Uani 1 1 d . . .
H39 H 0.4412 0.4250 0.8663 0.113 Uiso 1 1 calc R . .
P3 P 0.5000 0.8847(2) 0.7500 0.1425(16) Uani 1 2 d S . .
F1 F 0.4657(4) 0.8865(7) 0.8017(4) 0.281(6) Uani 1 1 d . . .
F2 F 0.5000 0.9697(7) 0.7500 0.303(9) Uani 1 2 d S . .
F3 F 0.5716(5) 0.9033(12) 0.7823(5) 0.271(7) Uani 0.75 1 d P . .
F4 F 0.4603(10) 0.8131(8) 0.7200(8) 0.326(10) Uani 0.75 1 d P . .
C40 C 0.2989(8) 0.2415(10) 0.0391(7) 0.099(4) Uani 0.50 1 d P . .
H40A H 0.2962 0.2464 0.0794 0.119 Uiso 0.50 1 calc PR . .
H40B H 0.3474 0.2250 0.0360 0.119 Uiso 0.50 1 calc PR . .
Cl1 Cl 0.2282(2) 0.1694(3) -0.00128(19) 0.2309(17) 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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
_geom_angle_publ_flag
P1 Pt1 P2 99.17(5) . . ?
P1 Pt1 S1 92.46(5) . . ?
P2 Pt1 S1 167.35(5) . . ?
P1 Pt1 S1 171.60(5) . 2_656 ?
P2 Pt1 S1 88.36(5) . 2_656 ?
S1 Pt1 S1 79.73(5) . 2_656 ?
P1 Pt1 Cu1 122.22(4) . . ?
P2 Pt1 Cu1 118.24(4) . . ?
S1 Pt1 Cu1 50.19(4) . . ?
S1 Pt1 Cu1 50.03(4) 2_656 . ?
O1 Cu1 O1 94.6(3) 2_656 . ?
O1 Cu1 S1 153.81(12) 2_656 2_656 ?
O1 Cu1 S1 97.44(14) . 2_656 ?
O1 Cu1 S1 97.44(14) 2_656 . ?
O1 Cu1 S1 153.81(12) . . ?
S1 Cu1 S1 81.61(7) 2_656 . ?
O1 Cu1 Pt1 144.48(13) 2_656 2_656 ?
O1 Cu1 Pt1 107.62(12) . 2_656 ?
S1 Cu1 Pt1 51.05(4) 2_656 2_656 ?
S1 Cu1 Pt1 51.87(4) . 2_656 ?
O1 Cu1 Pt1 107.62(12) 2_656 . ?
O1 Cu1 Pt1 144.48(13) . . ?
S1 Cu1 Pt1 51.87(4) 2_656 . ?
S1 Cu1 Pt1 51.05(4) . . ?
Pt1 Cu1 Pt1 69.21(3) 2_656 . ?
Cu1 S1 Pt1 78.76(4) . . ?
Cu1 S1 Pt1 78.10(4) . 2_656 ?
Pt1 S1 Pt1 90.68(5) . 2_656 ?
C16 P1 C4 111.5(2) . . ?
C16 P1 C10 100.7(2) . . ?
C4 P1 C10 103.3(2) . . ?
C16 P1 Pt1 116.04(17) . . ?
C4 P1 Pt1 108.31(17) . . ?
C10 P1 Pt1 116.23(15) . . ?
C28 P2 C34 106.4(3) . . ?
C28 P2 C22 103.6(3) . . ?
C34 P2 C22 103.9(3) . . ?
C28 P2 Pt1 113.8(2) . . ?
C34 P2 Pt1 107.4(2) . . ?
C22 P2 Pt1 120.59(19) . . ?
C1 O1 Cu1 123.6(4) . . ?
O1 C1 C3 126.4(6) . . ?
O1 C1 C2 114.9(6) . . ?
C3 C1 C2 118.6(6) . . ?
C1 C3 C1 125.4(9) . 2_656 ?
C9 C4 C5 118.7(5) . . ?
C9 C4 P1 125.4(4) . . ?
C5 C4 P1 115.9(4) . . ?
C6 C5 C4 121.1(5) . . ?
C5 C6 C7 119.8(6) . . ?
C8 C7 C6 120.0(6) . . ?
C7 C8 C9 120.6(6) . . ?
C4 C9 C8 119.8(6) . . ?
C11 C10 C15 119.2(5) . . ?
C11 C10 P1 124.6(4) . . ?
C15 C10 P1 116.2(4) . . ?
C10 C11 C12 121.0(5) . . ?
C13 C12 C11 120.0(6) . . ?
C14 C13 C12 119.5(6) . . ?
C13 C14 C15 120.8(6) . . ?
C10 C15 C14 119.5(6) . . ?
C21 C16 C17 118.0(5) . . ?
C21 C16 P1 118.9(4) . . ?
C17 C16 P1 122.8(4) . . ?
C18 C17 C16 120.2(6) . . ?
C17 C18 C19 120.8(6) . . ?
C18 C19 C20 120.4(7) . . ?
C19 C20 C21 119.2(7) . . ?
C16 C21 C20 121.3(6) . . ?
C27 C22 C23 120.0(6) . . ?
C27 C22 P2 120.7(5) . . ?
C23 C22 P2 119.3(6) . . ?
C22 C23 C24 119.7(8) . . ?
C25 C24 C23 119.9(9) . . ?
C24 C25 C26 121.7(8) . . ?
C27 C26 C25 117.7(10) . . ?
C22 C27 C26 121.0(8) . . ?
C33 C28 C29 119.5(7) . . ?
C33 C28 P2 119.3(4) . . ?
C29 C28 P2 121.1(6) . . ?
C30 C29 C28 118.8(8) . . ?
C31 C30 C29 122.2(9) . . ?
C30 C31 C32 119.8(10) . . ?
C31 C32 C33 120.0(8) . . ?
C28 C33 C32 119.5(7) . . ?
C39 C34 C35 118.9(7) . . ?
C39 C34 P2 118.8(6) . . ?
C35 C34 P2 122.2(7) . . ?
C36 C35 C34 120.6(11) . . ?
C37 C36 C35 119.6(14) . . ?
C36 C37 C38 122.3(13) . . ?
C39 C38 C37 117.8(11) . . ?
C38 C39 C34 120.7(9) . . ?
F2 P3 F3 78.0(8) . . ?
F2 P3 F3 78.0(8) . 2_656 ?
F3 P3 F3 156.0(16) . 2_656 ?
F2 P3 F4 141.4(6) . . ?
F3 P3 F4 138.3(14) . . ?
F3 P3 F4 65.1(7) 2_656 . ?
F2 P3 F4 141.4(6) . 2_656 ?
F3 P3 F4 65.1(7) . 2_656 ?
F3 P3 F4 138.3(14) 2_656 2_656 ?
F4 P3 F4 77.2(12) . 2_656 ?
F2 P3 F1 88.9(5) . . ?
F3 P3 F1 94.5(6) . . ?
F3 P3 F1 85.1(6) 2_656 . ?
F4 P3 F1 98.4(9) . . ?
F4 P3 F1 83.3(9) 2_656 . ?
F2 P3 F1 88.9(5) . 2_656 ?
F3 P3 F1 85.1(6) . 2_656 ?
F3 P3 F1 94.5(6) 2_656 2_656 ?
F4 P3 F1 83.3(9) . 2_656 ?
F4 P3 F1 98.4(9) 2_656 2_656 ?
F1 P3 F1 177.9(9) . 2_656 ?
P3 F3 F4 58.5(6) . 2_656 ?
P3 F4 F3 56.4(6) . 2_656 ?
Cl1 C40 Cl1 98.4(8) 7 . ?
C40 Cl1 C40 81.6(8) 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
Pt1 P1 2.2692(13) . ?
Pt1 P2 2.2805(14) . ?
Pt1 S1 2.3213(12) . ?
Pt1 S1 2.3533(13) 2_656 ?
Pt1 Cu1 2.9275(10) . ?
Cu1 O1 1.935(4) 2_656 ?
Cu1 O1 1.935(4) . ?
Cu1 S1 2.2927(16) 2_656 ?
Cu1 S1 2.2927(16) . ?
Cu1 Pt1 2.9275(10) 2_656 ?
S1 Pt1 2.3533(13) 2_656 ?
P1 C16 1.802(5) . ?
P1 C4 1.819(5) . ?
P1 C10 1.826(5) . ?
P2 C28 1.809(7) . ?
P2 C34 1.823(7) . ?
P2 C22 1.831(5) . ?
O1 C1 1.267(7) . ?
C1 C3 1.374(7) . ?
C1 C2 1.520(8) . ?
C3 C1 1.374(7) 2_656 ?
C4 C9 1.377(6) . ?
C4 C5 1.384(7) . ?
C5 C6 1.351(7) . ?
C6 C7 1.380(8) . ?
C7 C8 1.353(9) . ?
C8 C9 1.381(8) . ?
C10 C11 1.365(7) . ?
C10 C15 1.385(7) . ?
C11 C12 1.385(8) . ?
C12 C13 1.369(9) . ?
C13 C14 1.366(9) . ?
C14 C15 1.390(8) . ?
C16 C21 1.367(7) . ?
C16 C17 1.385(7) . ?
C17 C18 1.351(9) . ?
C18 C19 1.352(9) . ?
C19 C20 1.357(9) . ?
C20 C21 1.368(8) . ?
C22 C27 1.366(10) . ?
C22 C23 1.372(10) . ?
C23 C24 1.394(8) . ?
C24 C25 1.337(14) . ?
C25 C26 1.394(15) . ?
C26 C27 1.389(8) . ?
C28 C33 1.388(8) . ?
C28 C29 1.391(8) . ?
C29 C30 1.378(12) . ?
C30 C31 1.339(13) . ?
C31 C32 1.378(11) . ?
C32 C33 1.390(9) . ?
C34 C39 1.393(10) . ?
C34 C35 1.399(10) . ?
C35 C36 1.366(13) . ?
C36 C37 1.340(19) . ?
C37 C38 1.410(16) . ?
C38 C39 1.370(10) . ?
P3 F2 1.400(11) . ?
P3 F3 1.473(9) . ?
P3 F3 1.473(9) 2_656 ?
P3 F4 1.509(12) . ?
P3 F4 1.509(12) 2_656 ?
P3 F1 1.531(9) . ?
P3 F1 1.531(9) 2_656 ?
F3 F4 1.605(19) 2_656 ?
F4 F3 1.605(18) 2_656 ?
C40 Cl1 1.752(16) 7 ?
C40 Cl1 1.919(15) . ?
Cl1 C40 1.752(16) 7 ?
