#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:00:54 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179358 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/55/4325565.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_4325565
loop_
_publ_author_name
'Noel Nebra'
'Nathalie Saffon'
'Laurent Maron'
'Blanca Martin-Vaca'
'Didier Bourissou'
_publ_section_title
;
 1,3-Bis(thiophosphinoyl)indene: A Unique and Versatile Scaffold for
 Original Polymetallic Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6378
_journal_page_last               6383
_journal_paper_doi               10.1021/ic200842z
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C72 H60 Cl14 P4 Pd3 S4'
_chemical_formula_weight         1992.82
_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                 129.45(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   34.423(7)
_cell_length_b                   14.298(3)
_cell_length_c                   22.074(4)
_cell_measurement_reflns_used    732
_cell_measurement_temperature    233(2)
_cell_measurement_theta_max      19.09
_cell_measurement_theta_min      2.29
_cell_volume                     8389(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      233(2)
_diffrn_measured_fraction_theta_full 0.916
_diffrn_measured_fraction_theta_max 0.916
_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  0.1741
_diffrn_reflns_av_sigmaI/netI    0.3984
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            11066
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         5.19
_exptl_absorpt_coefficient_mu    1.297
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_description       plate
_exptl_crystal_F_000             3968
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.928
_refine_diff_density_min         -0.736
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.813
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     522
_refine_ls_number_reflns         6551
_refine_ls_number_restraints     187
_refine_ls_restrained_S_all      0.813
_refine_ls_R_factor_all          0.2415
_refine_ls_R_factor_gt           0.0690
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0387P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1205
_refine_ls_wR_factor_ref         0.1733
_reflns_number_gt                2063
_reflns_number_total             6551
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200842z_si_002_3.cif
_cod_data_source_block           4
_cod_original_cell_volume        8389(3)
_cod_database_code               4325565
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
Pd1 Pd 0.91234(4) 0.34952(9) 0.56364(7) 0.0348(4) Uani 1 1 d . . .
Cl1 Cl 0.86553(16) 0.4927(3) 0.5101(3) 0.0566(13) Uani 1 1 d . . .
Pd2 Pd 1.0000 0.31951(12) 0.7500 0.0317(5) Uani 1 2 d S . .
P1 P 0.86503(15) 0.1280(3) 0.5058(2) 0.0386(12) Uani 1 1 d . . .
P2 P 0.96673(14) 0.3135(3) 0.8378(2) 0.0360(11) Uani 1 1 d . . .
S1 S 0.83855(15) 0.2628(3) 0.4779(2) 0.0415(11) Uani 1 1 d . . .
S2 S 0.99251(15) 0.4264(3) 0.6570(2) 0.0348(10) Uani 1 1 d . . .
C1 C 0.9477(5) 0.2295(11) 0.6080(8) 0.032(4) Uani 1 1 d U . .
C2 C 1.0032(5) 0.2241(10) 0.6764(8) 0.025(4) Uani 1 1 d U . .
C3 C 0.9301(5) 0.1414(12) 0.5871(7) 0.032(4) Uani 1 1 d . . .
C4 C 1.0165(6) 0.1261(10) 0.6903(8) 0.034(4) Uani 1 1 d U . .
C5 C 1.0639(6) 0.0790(11) 0.7472(8) 0.035(4) Uani 1 1 d . . .
H5 H 1.0934 0.1137 0.7831 0.042 Uiso 1 1 calc R . .
C6 C 1.0654(6) -0.0168(12) 0.7483(9) 0.039(4) Uani 1 1 d U . .
H6 H 1.0964 -0.0475 0.7841 0.046 Uiso 1 1 calc R . .
C7 C 1.0223(6) -0.0691(11) 0.6977(8) 0.037(4) Uani 1 1 d U . .
H7 H 1.0248 -0.1347 0.7005 0.045 Uiso 1 1 calc R . .
C8 C 0.9743(7) -0.0279(12) 0.6415(9) 0.054(5) Uani 1 1 d U . .
H8 H 0.9454 -0.0645 0.6067 0.065 Uiso 1 1 calc R . .
C9 C 0.9720(5) 0.0702(10) 0.6404(8) 0.029(4) Uani 1 1 d . . .
C10 C 0.8575(6) 0.0737(11) 0.4245(9) 0.041(4) Uani 1 1 d . . .
C11 C 0.8992(6) 0.0439(11) 0.4334(9) 0.056(5) Uani 1 1 d . . .
H11 H 0.9313 0.0464 0.4831 0.067 Uiso 1 1 calc R . .
C12 C 0.8941(7) 0.0099(13) 0.3684(12) 0.067(6) Uani 1 1 d . . .
H12 H 0.9229 -0.0058 0.3744 0.081 Uiso 1 1 calc R . .
C13 C 0.8473(8) -0.0002(15) 0.2967(11) 0.084(7) Uani 1 1 d . . .
H13 H 0.8442 -0.0245 0.2542 0.101 Uiso 1 1 calc R . .
C14 C 0.8050(7) 0.0248(14) 0.2863(9) 0.079(7) Uani 1 1 d . . .
H14 H 0.7728 0.0151 0.2379 0.095 Uiso 1 1 calc R . .
C15 C 0.8108(7) 0.0657(13) 0.3505(10) 0.068(6) Uani 1 1 d . . .
H15 H 0.7822 0.0880 0.3425 0.082 Uiso 1 1 calc R . .
C16 C 0.8274(6) 0.0620(12) 0.5224(9) 0.042(4) Uani 1 1 d U . .
C17 C 0.8130(6) 0.1029(13) 0.5616(8) 0.056(5) Uani 1 1 d . . .
H17 H 0.8230 0.1647 0.5797 0.067 Uiso 1 1 calc R . .
C18 C 0.7836(7) 0.0546(14) 0.5754(10) 0.057(5) Uani 1 1 d . . .
H18 H 0.7748 0.0846 0.6031 0.068 Uiso 1 1 calc R . .
C19 C 0.7677(8) -0.0346(17) 0.5495(12) 0.087(7) Uani 1 1 d . . .
H19 H 0.7462 -0.0660 0.5553 0.105 Uiso 1 1 calc R . .
C20 C 0.7857(8) -0.0774(17) 0.5129(13) 0.102(8) Uani 1 1 d U . .
H20 H 0.7777 -0.1408 0.4988 0.123 Uiso 1 1 calc R . .
C21 C 0.8134(6) -0.0340(13) 0.4969(11) 0.070(6) Uani 1 1 d U . .
H21 H 0.8229 -0.0649 0.4705 0.083 Uiso 1 1 calc R . .
C22 C 0.9740(5) 0.3053(11) 0.9261(8) 0.032(4) Uani 1 1 d . . .
C23 C 0.9959(6) 0.2277(14) 0.9733(9) 0.062(6) Uani 1 1 d . . .
H23 H 1.0070 0.1787 0.9594 0.075 Uiso 1 1 calc R . .
C24 C 1.0018(7) 0.2207(15) 1.0431(10) 0.085(7) Uani 1 1 d . . .
H24 H 1.0161 0.1669 1.0747 0.102 Uiso 1 1 calc R . .
C25 C 0.9866(7) 0.2921(16) 1.0631(10) 0.078(7) Uani 1 1 d . . .
H25 H 0.9910 0.2877 1.1095 0.094 Uiso 1 1 calc R . .
C26 C 0.9642(6) 0.3746(14) 1.0163(10) 0.061(6) Uani 1 1 d . . .
H26 H 0.9529 0.4232 1.0305 0.073 Uiso 1 1 calc R . .
C27 C 0.9595(6) 0.3807(12) 0.9485(9) 0.052(5) Uani 1 1 d . . .
H27 H 0.9467 0.4355 0.9181 0.062 Uiso 1 1 calc R . .
C28 C 0.8996(5) 0.3234(12) 0.7572(8) 0.042(4) Uani 1 1 d . . .
C29 C 0.8668(6) 0.2706(12) 0.7630(8) 0.050(5) Uani 1 1 d . . .
H29 H 0.8797 0.2360 0.8085 0.060 Uiso 1 1 calc R . .
C30 C 0.8156(6) 0.2713(12) 0.7003(10) 0.056(5) Uani 1 1 d . . .
H30 H 0.7937 0.2375 0.7038 0.067 Uiso 1 1 calc R . .
C31 C 0.7962(6) 0.3212(13) 0.6323(10) 0.058(5) Uani 1 1 d . . .
H31 H 0.7616 0.3186 0.5893 0.069 Uiso 1 1 calc R . .
C32 C 0.8295(6) 0.3773(13) 0.6279(10) 0.067(6) Uani 1 1 d . . .
H32 H 0.8168 0.4135 0.5832 0.081 Uiso 1 1 calc R . .
C33 C 0.8805(5) 0.3761(11) 0.6912(8) 0.043(4) Uani 1 1 d . . .
H33 H 0.9025 0.4120 0.6892 0.052 Uiso 1 1 calc R . .
C34 C 0.845(12) 0.714(8) 0.420(11) 0.130(10) Uani 0.109(9) 1 d PDU A 1
H34A H 0.8778 0.6933 0.4371 0.156 Uiso 0.109(9) 1 calc PR A 1
H34B H 0.8215 0.6619 0.3940 0.156 Uiso 0.109(9) 1 calc PR A 1
Cl2 Cl 0.823(3) 0.808(5) 0.355(4) 0.151(14) Uani 0.109(9) 1 d PDU A 1
Cl3 Cl 0.852(3) 0.748(5) 0.503(4) 0.154(19) Uani 0.109(9) 1 d PDU A 1
C34' C 0.8310(14) 0.7015(16) 0.4043(19) 0.132(7) Uani 0.891(9) 1 d PDU A 2
H34C H 0.8482 0.6684 0.4542 0.158 Uiso 0.891(9) 1 calc PR A 2
H34D H 0.8323 0.6620 0.3694 0.158 Uiso 0.891(9) 1 calc PR A 2
Cl2' Cl 0.8623(3) 0.8067(5) 0.4208(6) 0.112(3) Uani 0.891(9) 1 d PDU A 2
Cl3' Cl 0.7677(3) 0.7198(6) 0.3619(6) 0.171(4) Uani 0.891(9) 1 d PDU A 2
C35 C 0.8417(15) 0.401(3) 0.336(3) 0.127(8) Uani 0.569(13) 1 d PDU B 1
H35A H 0.8436 0.4249 0.3790 0.152 Uiso 0.569(13) 1 calc PR B 1
H35B H 0.8159 0.3524 0.3091 0.152 Uiso 0.569(13) 1 calc PR B 1
Cl4 Cl 0.8223(9) 0.4924(17) 0.2694(17) 0.120(5) Uani 0.569(13) 1 d PDU B 1
Cl5 Cl 0.8958(6) 0.3533(12) 0.3724(9) 0.151(6) Uani 0.569(13) 1 d PDU B 1
C35' C 0.829(2) 0.370(3) 0.311(4) 0.138(9) Uani 0.431(13) 1 d PDU B 2
H35C H 0.8367 0.3760 0.3622 0.165 Uiso 0.431(13) 1 calc PR B 2
H35D H 0.7925 0.3562 0.2724 0.165 Uiso 0.431(13) 1 calc PR B 2
Cl4' Cl 0.8393(14) 0.478(2) 0.287(3) 0.152(9) Uani 0.431(13) 1 d PDU B 2
Cl5' Cl 0.8596(8) 0.2807(16) 0.3146(13) 0.159(7) Uani 0.431(13) 1 d PDU B 2
C36 C 0.9101(12) 0.744(4) 0.659(3) 0.222(10) Uani 0.726(13) 1 d PDU C 1
H36A H 0.9085 0.7543 0.6132 0.266 Uiso 0.726(13) 1 calc PR C 1
H36B H 0.9256 0.7994 0.6923 0.266 Uiso 0.726(13) 1 calc PR C 1
Cl6 Cl 0.9458(6) 0.6520(11) 0.7078(8) 0.206(6) Uani 0.726(13) 1 d PDU C 1
Cl7 Cl 0.8516(7) 0.7324(13) 0.6274(10) 0.261(8) Uani 0.726(13) 1 d PDU C 1
C36' C 0.876(5) 0.653(6) 0.595(5) 0.210(14) Uani 0.274(13) 1 d PDU C 2
H36C H 0.8407 0.6563 0.5475 0.252 Uiso 0.274(13) 1 calc PR C 2
H36D H 0.8937 0.6067 0.5873 0.252 Uiso 0.274(13) 1 calc PR C 2
Cl6' Cl 0.8818(17) 0.6292(18) 0.674(2) 0.199(13) Uani 0.274(13) 1 d PDU C 2
Cl7' Cl 0.9039(16) 0.757(3) 0.620(2) 0.203(12) Uani 0.274(13) 1 d PDU C 2
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'
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'
Cl Cl 0.1484 0.1585 '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'
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 S1 87.2(5) . .
C1 Pd1 Cl1 176.6(4) . .
S1 Pd1 Cl1 90.54(16) . .
C1 Pd1 S2 87.8(5) . .
S1 Pd1 S2 175.02(15) . .
Cl1 Pd1 S2 94.44(15) . .
C1 Pd1 Pd2 57.9(4) . .
S1 Pd1 Pd2 128.00(11) . .
Cl1 Pd1 Pd2 122.11(11) . .
S2 Pd1 Pd2 48.57(10) . .
C2 Pd2 C2 102.4(7) 2_756 .
C2 Pd2 S2 78.0(4) 2_756 2_756
C2 Pd2 S2 173.1(4) . 2_756
C2 Pd2 S2 173.1(4) 2_756 .
C2 Pd2 S2 78.0(4) . .
S2 Pd2 S2 102.36(19) 2_756 .
C2 Pd2 P2 39.7(3) 2_756 .
C2 Pd2 P2 137.0(4) . .
S2 Pd2 P2 46.35(12) 2_756 .
S2 Pd2 P2 136.76(14) . .
C2 Pd2 P2 137.0(4) 2_756 2_756
C2 Pd2 P2 39.7(3) . 2_756
S2 Pd2 P2 136.76(14) 2_756 2_756
S2 Pd2 P2 46.35(12) . 2_756
P2 Pd2 P2 176.5(2) . 2_756
C2 Pd2 Pd1 65.3(3) 2_756 2_756
C2 Pd2 Pd1 125.8(3) . 2_756
S2 Pd2 Pd1 48.02(10) 2_756 2_756
S2 Pd2 Pd1 120.16(11) . 2_756
P2 Pd2 Pd1 65.55(8) . 2_756
P2 Pd2 Pd1 114.96(8) 2_756 2_756
C2 Pd2 Pd1 125.8(3) 2_756 .
C2 Pd2 Pd1 65.3(3) . .
S2 Pd2 Pd1 120.16(11) 2_756 .
S2 Pd2 Pd1 48.02(10) . .
P2 Pd2 Pd1 114.96(8) . .
P2 Pd2 Pd1 65.55(8) 2_756 .
Pd1 Pd2 Pd1 164.73(7) 2_756 .
C3 P1 C10 110.0(7) . .
C3 P1 C16 116.9(7) . .
C10 P1 C16 107.7(7) . .
C3 P1 S1 103.6(6) . .
C10 P1 S1 110.4(6) . .
C16 P1 S1 108.1(5) . .
C2 P2 C22 116.3(7) 2_756 .
C2 P2 C28 113.7(7) 2_756 .
C22 P2 C28 106.2(6) . .
C2 P2 S2 96.8(5) 2_756 2_756
C22 P2 S2 111.3(5) . 2_756
C28 P2 S2 112.6(5) . 2_756
C2 P2 Pd2 50.8(4) 2_756 .
C22 P2 Pd2 155.4(5) . .
C28 P2 Pd2 98.3(4) . .
S2 P2 Pd2 57.43(14) 2_756 .
P1 S1 Pd1 102.0(2) . .
P2 S2 Pd1 93.35(19) 2_756 .
P2 S2 Pd2 76.21(16) 2_756 .
Pd1 S2 Pd2 83.41(13) . .
C3 C1 C2 107.7(12) . .
C3 C1 Pd1 130.1(11) . .
C2 C1 Pd1 122.2(11) . .
C4 C2 C1 106.9(12) . .
C4 C2 P2 126.1(10) . 2_756
C1 C2 P2 107.0(10) . 2_756
C4 C2 Pd2 127.5(9) . .
C1 C2 Pd2 94.8(8) . .
P2 C2 Pd2 89.6(6) 2_756 .
C1 C3 C9 111.1(12) . .
C1 C3 P1 116.8(11) . .
C9 C3 P1 132.1(12) . .
C9 C4 C2 109.8(13) . .
C9 C4 C5 118.2(13) . .
C2 C4 C5 131.8(14) . .
C6 C5 C4 119.4(15) . .
C5 C6 C7 121.2(15) . .
C6 C7 C8 122.6(16) . .
C9 C8 C7 116.9(16) . .
C8 C9 C4 121.4(14) . .
C8 C9 C3 133.9(14) . .
C4 C9 C3 104.2(12) . .
C15 C10 C11 117.4(14) . .
C15 C10 P1 122.0(12) . .
C11 C10 P1 120.4(12) . .
C10 C11 C12 120.7(16) . .
C13 C12 C11 120.3(17) . .
C14 C13 C12 120.7(17) . .
C13 C14 C15 118.5(16) . .
C10 C15 C14 122.1(15) . .
C17 C16 C21 119.0(16) . .
C17 C16 P1 119.7(13) . .
C21 C16 P1 121.3(12) . .
C16 C17 C18 121.6(17) . .
C19 C18 C17 121.4(18) . .
C18 C19 C20 115.7(19) . .
C21 C20 C19 125(2) . .
C20 C21 C16 116.7(18) . .
C23 C22 C27 119.9(14) . .
C23 C22 P2 120.5(11) . .
C27 C22 P2 119.6(13) . .
C22 C23 C24 120.8(16) . .
C25 C24 C23 118.9(18) . .
C24 C25 C26 122.4(15) . .
C27 C26 C25 117.7(16) . .
C26 C27 C22 120.2(16) . .
C33 C28 C29 120.6(13) . .
C33 C28 P2 122.2(11) . .
C29 C28 P2 117.2(11) . .
C30 C29 C28 118.8(15) . .
C29 C30 C31 121.0(16) . .
C30 C31 C32 119.8(15) . .
C33 C32 C31 118.3(16) . .
C28 C33 C32 121.4(15) . .
Cl2 C34 Cl3 110(3) . .
Cl2' C34' Cl3' 112.0(14) . .
Cl5 C35 Cl4 116.1(18) . .
Cl5' C35' Cl4' 117(2) . .
Cl6 C36 Cl7 113(4) . .
Cl6' C36' Cl7' 100(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C1 1.968(15) .
Pd1 S1 2.337(4) .
Pd1 Cl1 2.401(4) .
Pd1 S2 2.417(4) .
Pd1 Pd2 3.231(2) .
Pd2 C2 2.177(13) 2_756
Pd2 C2 2.177(13) .
Pd2 S2 2.438(4) 2_756
Pd2 S2 2.438(4) .
Pd2 P2 2.810(4) .
Pd2 P2 2.810(4) 2_756
Pd2 Pd1 3.231(2) 2_756
P1 C3 1.779(13) .
P1 C10 1.816(15) .
P1 C16 1.818(16) .
P1 S1 2.052(6) .
P2 C2 1.793(13) 2_756
P2 C22 1.804(13) .
P2 C28 1.817(14) .
P2 S2 2.093(6) 2_756
S2 P2 2.093(6) 2_756
C1 C3 1.346(18) .
C1 C2 1.506(17) .
C2 C4 1.444(17) .
C2 P2 1.793(13) 2_756
C3 C9 1.530(18) .
C4 C9 1.433(18) .
C4 C5 1.446(17) .
C5 C6 1.371(18) .
C6 C7 1.378(18) .
C7 C8 1.418(19) .
C8 C9 1.404(18) .
C10 C15 1.39(2) .
C10 C11 1.39(2) .
C11 C12 1.41(2) .
C12 C13 1.37(2) .
C13 C14 1.37(2) .
C14 C15 1.42(2) .
C16 C17 1.375(19) .
C16 C21 1.44(2) .
C17 C18 1.41(2) .
C18 C19 1.36(2) .
C19 C20 1.43(2) .
C20 C21 1.36(2) .
C22 C23 1.373(19) .
C22 C27 1.405(19) .
C23 C24 1.423(18) .
C24 C25 1.34(2) .
C25 C26 1.43(2) .
C26 C27 1.403(19) .
C28 C33 1.381(18) .
C28 C29 1.431(19) .
C29 C30 1.385(19) .
C30 C31 1.39(2) .
C31 C32 1.45(2) .
C32 C33 1.383(19) .
C34 Cl2 1.75(3) .
C34 Cl3 1.76(4) .
C34' Cl2' 1.75(3) .
C34' Cl3' 1.76(4) .
C35 Cl5 1.63(3) .
C35 Cl4 1.74(3) .
C35' Cl5' 1.64(3) .
C35' Cl4' 1.74(3) .
C36 Cl6 1.65(3) .
C36 Cl7 1.67(3) .
C36' Cl6' 1.66(3) .
C36' Cl7' 1.66(3) .
