#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:52:18 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178613 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/24/4072418.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_4072418
loop_
_publ_author_name
'Tan, Runyu'
'Jia, Peng'
'Rao, Yingli'
'Jia, Wenli'
'Hadzovic, Alen'
'Yu, Qing'
'Li, Xia'
'Song, Datong'
_publ_section_title
;
 Diplatinum Complexes Supported by Novel Tetradentate Ligands with
 Quinoline Functionalities for Tandem C−Cl Activation and
 Dearomatization
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              6614
_journal_paper_doi               10.1021/om800893r
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C48 H26 Cl4 F12 N4 O4'
_chemical_formula_weight         1092.53
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.364(2)
_cell_angle_beta                 97.888(3)
_cell_angle_gamma                103.432(3)
_cell_formula_units_Z            2
_cell_length_a                   11.0134(4)
_cell_length_b                   12.9399(7)
_cell_length_c                   17.9995(8)
_cell_measurement_reflns_used    25236
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      3.04
_cell_volume                     2467.2(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0636
_diffrn_reflns_av_sigmaI/netI    0.1011
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25236
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    0.333
_exptl_absorpt_correction_T_max  0.974
_exptl_absorpt_correction_T_min  0.914
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements 
 Sortav (Blessing 1995)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.508
_refine_diff_density_min         -0.548
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         11145
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.1556
_refine_ls_R_factor_gt           0.0813
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0803P)²+1.4570P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1921
_refine_ls_wR_factor_ref         0.2150
_reflns_number_gt                5360
_reflns_number_total             11145
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800893r_si_001.cif
_cod_data_source_block           3c
_cod_original_cell_volume        2467.25(19)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4072418
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
F1 F -0.1743(2) 0.2132(2) 0.31541(15) 0.0641(7) Uani 1 1 d .
F2 F -0.1287(2) 0.3015(2) 0.21886(14) 0.0657(8) Uani 1 1 d .
F3 F -0.0990(2) 0.1426(2) 0.22905(15) 0.0654(8) Uani 1 1 d .
F4 F 0.6117(3) 1.1004(2) 0.44097(19) 0.0830(9) Uani 1 1 d .
F5 F 0.6833(3) 0.9617(3) 0.4478(2) 0.1093(14) Uani 1 1 d .
F6 F 0.6433(4) 1.0220(3) 0.3428(2) 0.1193(15) Uani 1 1 d .
F7 F 1.2950(3) -0.4536(2) -0.12148(16) 0.0836(10) Uani 1 1 d .
F8 F 1.1990(3) -0.4134(2) -0.0331(2) 0.0886(10) Uani 1 1 d .
F9 F 1.3942(3) -0.4107(2) -0.01039(17) 0.0740(8) Uani 1 1 d .
F10 F 1.0231(3) -0.0336(3) -0.36241(19) 0.0988(11) Uani 1 1 d .
F11 F 0.9159(4) 0.0497(3) -0.43411(17) 0.0965(11) Uani 1 1 d .
F12 F 0.8572(3) -0.1177(3) -0.43809(15) 0.0842(10) Uani 1 1 d .
O1 O 0.0267(3) 0.2689(2) 0.29955(16) 0.0517(8) Uani 1 1 d .
O2 O 0.4850(3) 0.9499(2) 0.40238(18) 0.0554(8) Uani 1 1 d .
O3 O 1.3359(3) -0.2897(2) -0.08156(15) 0.0494(7) Uani 1 1 d .
O4 O 0.8298(3) -0.0328(3) -0.34032(16) 0.0564(8) Uani 1 1 d .
N1 N 0.2161(3) 0.6333(3) 0.48914(16) 0.0390(8) Uani 1 1 d .
N2 N 0.4017(3) 0.5299(3) 0.29577(18) 0.0436(8) Uani 1 1 d .
N3 N 1.3333(3) 0.0530(3) 0.10871(17) 0.0389(8) Uani 1 1 d .
N4 N 0.9755(3) 0.2563(3) -0.09160(19) 0.0430(8) Uani 1 1 d .
C1 C 0.1441(4) 0.6990(4) 0.5006(2) 0.0467(11) Uani 1 1 d .
H1A H 0.1796 0.7598 0.5340 0.056 Uiso 1 1 calc R
C2 C 0.0175(4) 0.6844(4) 0.4662(2) 0.0466(11) Uani 1 1 d .
H2A H -0.0295 0.7352 0.4751 0.056 Uiso 1 1 calc R
C3 C -0.0358(4) 0.5962(4) 0.4201(2) 0.0462(11) Uani 1 1 d .
H3A H -0.1218 0.5833 0.3980 0.055 Uiso 1 1 calc R
C4 C 0.0376(4) 0.5236(3) 0.4052(2) 0.0370(9) Uani 1 1 d .
C5 C -0.0133(4) 0.4315(3) 0.3569(2) 0.0378(9) Uani 1 1 d .
H5A H -0.0979 0.4168 0.3323 0.045 Uiso 1 1 calc R
C6 C 0.0621(4) 0.3646(3) 0.3468(2) 0.0421(10) Uani 1 1 d .
C7 C 0.1875(3) 0.3846(3) 0.3809(2) 0.0371(9) Uani 1 1 d .
H7A H 0.2367 0.3356 0.3717 0.045 Uiso 1 1 calc R
C8 C 0.2410(3) 0.4738(3) 0.42737(19) 0.0321(8) Uani 1 1 d .
C9 C 0.1652(3) 0.5459(3) 0.44110(19) 0.0324(9) Uani 1 1 d .
C10 C -0.0922(4) 0.2326(4) 0.2672(3) 0.0545(12) Uani 1 1 d .
C11 C 0.3717(4) 0.5060(4) 0.2229(2) 0.0515(12) Uani 1 1 d .
H11A H 0.3619 0.4342 0.2055 0.062 Uiso 1 1 calc R
C12 C 0.3533(5) 0.5805(5) 0.1691(2) 0.0657(15) Uani 1 1 d .
H12A H 0.3302 0.5586 0.1173 0.079 Uiso 1 1 calc R
C13 C 0.3688(4) 0.6832(5) 0.1922(3) 0.0629(14) Uani 1 1 d .
H13A H 0.3579 0.7346 0.1566 0.075 Uiso 1 1 calc R
C14 C 0.4015(4) 0.7141(4) 0.2697(2) 0.0457(11) Uani 1 1 d .
C15 C 0.4261(4) 0.8212(4) 0.2980(2) 0.0491(11) Uani 1 1 d .
H15A H 0.4171 0.8761 0.2651 0.059 Uiso 1 1 calc R
C16 C 0.4625(4) 0.8438(3) 0.3724(2) 0.0438(10) Uani 1 1 d .
C17 C 0.4751(4) 0.7657(3) 0.4238(2) 0.0409(10) Uani 1 1 d .
H17A H 0.5002 0.7854 0.4758 0.049 Uiso 1 1 calc R
C18 C 0.4512(3) 0.6609(3) 0.3988(2) 0.0337(9) Uani 1 1 d .
C19 C 0.4161(3) 0.6338(3) 0.3197(2) 0.0380(9) Uani 1 1 d .
C20 C 0.6055(5) 1.0071(4) 0.4079(3) 0.0650(14) Uani 1 1 d .
C21 C 0.4057(3) 0.4143(3) 0.51238(18) 0.0319(8) Uani 1 1 d .
H21A H 0.3408 0.3550 0.5207 0.038 Uiso 1 1 calc R
C22 C 0.3760(3) 0.4902(3) 0.46436(19) 0.0308(8) Uani 1 1 d .
C23 C 0.4717(3) 0.5773(3) 0.45129(19) 0.0335(9) Uani 1 1 d .
C24 C 1.4378(4) 0.0978(4) 0.1555(2) 0.0479(11) Uani 1 1 d .
H24A H 1.4381 0.1601 0.1847 0.057 Uiso 1 1 calc R
C25 C 1.5468(4) 0.0594(4) 0.1646(2) 0.0509(12) Uani 1 1 d .
H25A H 1.6169 0.0927 0.2009 0.061 Uiso 1 1 calc R
C26 C 1.5517(4) -0.0253(4) 0.1214(2) 0.0457(11) Uani 1 1 d .
H26A H 1.6270 -0.0500 0.1251 0.055 Uiso 1 1 calc R
C27 C 1.4423(3) -0.0784(3) 0.0696(2) 0.0378(9) Uani 1 1 d .
C28 C 1.4421(4) -0.1665(3) 0.0217(2) 0.0419(10) Uani 1 1 d .
H28A H 1.5141 -0.1955 0.0236 0.050 Uiso 1 1 calc R
C29 C 1.3359(4) -0.2083(3) -0.0272(2) 0.0398(9) Uani 1 1 d .
C30 C 1.2264(4) -0.1704(3) -0.0305(2) 0.0362(9) Uani 1 1 d .
H30A H 1.1537 -0.2039 -0.0649 0.043 Uiso 1 1 calc R
C31 C 1.2230(3) -0.0856(3) 0.0152(2) 0.0350(9) Uani 1 1 d .
C32 C 1.3352(4) -0.0360(3) 0.0670(2) 0.0375(9) Uani 1 1 d .
C33 C 1.3068(5) -0.3892(4) -0.0619(3) 0.0607(13) Uani 1 1 d .
C34 C 0.9874(4) 0.3582(4) -0.1016(3) 0.0533(12) Uani 1 1 d .
H34A H 1.0153 0.4059 -0.0585 0.064 Uiso 1 1 calc R
C35 C 0.9626(5) 0.4017(4) -0.1702(3) 0.0619(13) Uani 1 1 d .
H35A H 0.9720 0.4763 -0.1729 0.074 Uiso 1 1 calc R
C36 C 0.9240(4) 0.3351(4) -0.2344(3) 0.0575(13) Uani 1 1 d .
H36A H 0.9071 0.3629 -0.2821 0.069 Uiso 1 1 calc R
C37 C 0.9104(4) 0.2238(3) -0.2272(2) 0.0443(10) Uani 1 1 d .
C38 C 0.8747(4) 0.1512(4) -0.2899(2) 0.0499(11) Uani 1 1 d .
H38A H 0.8547 0.1748 -0.3386 0.060 Uiso 1 1 calc R
C39 C 0.8691(4) 0.0476(4) -0.2798(2) 0.0468(11) Uani 1 1 d .
C40 C 0.8934(4) 0.0092(3) -0.2085(2) 0.0409(10) Uani 1 1 d .
H40A H 0.8871 -0.0648 -0.2037 0.049 Uiso 1 1 calc R
C41 C 0.9262(3) 0.0771(3) -0.1457(2) 0.0349(9) Uani 1 1 d .
C42 C 0.9364(3) 0.1882(3) -0.1547(2) 0.0378(9) Uani 1 1 d .
C43 C 0.9041(6) -0.0311(5) -0.3934(3) 0.0700(15) Uani 1 1 d .
C44 C 1.1072(3) -0.0433(3) 0.0099(2) 0.0330(9) Uani 1 1 d .
C45 C 1.0649(3) -0.0065(3) -0.0589(2) 0.0339(9) Uani 1 1 d .
H45A H 1.1096 -0.0113 -0.0999 0.041 Uiso 1 1 calc R
C46 C 0.9595(3) 0.0369(3) -0.0699(2) 0.0335(9) Uani 1 1 d .
C47 C 0.5427(4) 0.3430(4) 0.3575(2) 0.0525(11) Uani 1 1 d .
H47A H 0.5063 0.4049 0.3650 0.063 Uiso 1 1 calc R
H47B H 0.6045 0.3405 0.4025 0.063 Uiso 1 1 calc R
C48 C 0.8182(4) -0.2416(4) -0.0577(2) 0.0516(11) Uani 1 1 d .
H48A H 0.8006 -0.1725 -0.0720 0.062 Uiso 1 1 calc R
H48B H 0.8795 -0.2288 -0.0108 0.062 Uiso 1 1 calc R
Cl1 Cl 0.42107(12) 0.22490(10) 0.34740(7) 0.0656(4) Uani 1 1 d .
Cl2 Cl 0.62013(12) 0.35909(13) 0.27818(7) 0.0731(4) Uani 1 1 d .
Cl3 Cl 0.67731(13) -0.33004(11) -0.04206(8) 0.0741(4) Uani 1 1 d .
Cl4 Cl 0.88340(14) -0.29471(14) -0.12954(10) 0.0974(6) 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'
N N 0.0061 0.0033 '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'
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
C10 O1 C6 120.3(4) . .
C20 O2 C16 115.3(4) . .
C33 O3 C29 117.5(3) . .
C43 O4 C39 118.1(4) . .
C1 N1 C9 118.0(3) . .
C11 N2 C19 117.2(4) . .
C24 N3 C32 116.9(4) . .
C34 N4 C42 116.7(4) . .
N1 C1 C2 123.9(4) . .
C3 C2 C1 118.8(4) . .
C2 C3 C4 119.6(4) . .
C5 C4 C3 121.6(4) . .
C5 C4 C9 120.6(4) . .
C3 C4 C9 117.7(4) . .
C6 C5 C4 118.2(3) . .
C5 C6 C7 122.5(4) . .
C5 C6 O1 125.6(3) . .
C7 C6 O1 111.9(4) . .
C8 C7 C6 121.2(4) . .
C7 C8 C9 118.6(3) . .
C7 C8 C22 119.1(4) . .
C9 C8 C22 122.3(3) . .
N1 C9 C4 121.9(4) . .
N1 C9 C8 119.2(3) . .
C4 C9 C8 118.9(3) . .
F3 C10 F1 108.0(4) . .
F3 C10 O1 107.6(4) . .
F1 C10 O1 113.9(4) . .
F3 C10 F2 108.3(4) . .
F1 C10 F2 107.4(4) . .
O1 C10 F2 111.4(4) . .
N2 C11 C12 124.0(5) . .
C13 C12 C11 119.1(4) . .
C12 C13 C14 119.7(4) . .
C19 C14 C13 117.4(4) . .
C19 C14 C15 119.5(4) . .
C13 C14 C15 123.1(4) . .
C16 C15 C14 118.9(4) . .
C15 C16 C17 123.1(4) . .
C15 C16 O2 120.1(4) . .
C17 C16 O2 116.8(4) . .
C18 C17 C16 119.9(4) . .
C17 C18 C19 118.9(3) . .
C17 C18 C23 121.0(3) . .
C19 C18 C23 119.9(3) . .
N2 C19 C14 122.7(4) . .
N2 C19 C18 117.6(3) . .
C14 C19 C18 119.7(4) . .
F5 C20 F6 107.3(5) . .
F5 C20 F4 108.6(4) . .
F6 C20 F4 108.7(4) . .
F5 C20 O2 112.0(4) . .
F6 C20 O2 112.6(4) . .
F4 C20 O2 107.6(5) . .
C22 C21 C23 121.9(3) . 2_666
C21 C22 C23 119.3(3) . .
C21 C22 C8 117.9(3) . .
C23 C22 C8 122.8(3) . .
C21 C23 C22 118.8(3) 2_666 .
C21 C23 C18 117.4(3) 2_666 .
C22 C23 C18 123.7(3) . .
N3 C24 C25 124.3(4) . .
C26 C25 C24 119.4(4) . .
C25 C26 C27 119.6(4) . .
C32 C27 C28 121.0(3) . .
C32 C27 C26 116.6(4) . .
C28 C27 C26 122.4(4) . .
C29 C28 C27 117.9(4) . .
C28 C29 C30 123.1(4) . .
C28 C29 O3 119.7(4) . .
C30 C29 O3 117.1(3) . .
C31 C30 C29 120.6(3) . .
C30 C31 C32 118.5(4) . .
C30 C31 C44 120.5(3) . .
C32 C31 C44 120.9(4) . .
N3 C32 C27 123.2(3) . .
N3 C32 C31 117.9(4) . .
C27 C32 C31 118.8(4) . .
F7 C33 O3 109.0(4) . .
F7 C33 F9 108.0(4) . .
O3 C33 F9 112.5(4) . .
F7 C33 F8 108.0(4) . .
O3 C33 F8 113.0(4) . .
F9 C33 F8 106.1(4) . .
N4 C34 C35 125.2(5) . .
C36 C35 C34 119.1(5) . .
C35 C36 C37 118.3(4) . .
C38 C37 C42 120.4(4) . .
C38 C37 C36 121.8(4) . .
C42 C37 C36 117.8(4) . .
C39 C38 C37 118.9(4) . .
C38 C39 C40 122.2(4) . .
C38 C39 O4 122.8(4) . .
C40 C39 O4 114.9(4) . .
C41 C40 C39 120.7(4) . .
C40 C41 C42 118.4(3) . .
C40 C41 C46 120.7(4) . .
C42 C41 C46 120.7(3) . .
N4 C42 C37 122.8(4) . .
N4 C42 C41 117.9(3) . .
C37 C42 C41 119.3(4) . .
F11 C43 F12 108.1(4) . .
F11 C43 O4 116.0(5) . .
F12 C43 O4 107.6(5) . .
F11 C43 F10 106.1(5) . .
F12 C43 F10 108.0(5) . .
O4 C43 F10 110.8(4) . .
C45 C44 C46 118.5(3) . 2_755
C45 C44 C31 117.6(3) . .
C46 C44 C31 123.9(3) 2_755 .
C46 C45 C44 122.6(3) . .
C45 C46 C44 118.9(3) . 2_755
C45 C46 C41 117.6(3) . .
C44 C46 C41 123.5(3) 2_755 .
Cl2 C47 Cl1 111.3(2) . .
Cl4 C48 Cl3 110.4(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
F1 C10 1.324(5) .
F2 C10 1.350(6) .
F3 C10 1.320(5) .
F4 C20 1.316(6) .
F5 C20 1.296(6) .
F6 C20 1.301(6) .
F7 C33 1.315(5) .
F8 C33 1.333(6) .
F9 C33 1.325(6) .
F10 C43 1.360(6) .
F11 C43 1.283(6) .
F12 C43 1.320(6) .
O1 C10 1.328(5) .
O1 C6 1.429(5) .
O2 C20 1.350(6) .
O2 C16 1.418(5) .
O3 C33 1.322(6) .
O3 C29 1.420(5) .
O4 C43 1.338(6) .
O4 C39 1.436(5) .
N1 C1 1.321(6) .
N1 C9 1.366(5) .
N2 C11 1.320(5) .
N2 C19 1.368(5) .
N3 C24 1.331(5) .
N3 C32 1.366(5) .
N4 C34 1.314(6) .
N4 C42 1.376(5) .
C1 C2 1.414(6) .
C2 C3 1.358(6) .
C3 C4 1.417(6) .
C4 C5 1.412(6) .
C4 C9 1.425(5) .
C5 C6 1.356(6) .
C6 C7 1.395(5) .
C7 C8 1.372(5) .
C8 C9 1.428(6) .
C8 C22 1.508(5) .
C11 C12 1.410(7) .
C12 C13 1.348(7) .
C13 C14 1.415(6) .
C14 C19 1.414(6) .
C14 C15 1.417(6) .
C15 C16 1.348(6) .
C16 C17 1.404(6) .
C17 C18 1.372(6) .
C18 C19 1.436(5) .
C18 C23 1.490(5) .
C21 C22 1.390(5) .
C21 C23 1.396(5) 2_666
C22 C23 1.401(5) .
C23 C21 1.396(5) 2_666
C24 C25 1.394(6) .
C25 C26 1.344(6) .
C26 C27 1.439(5) .
C27 C32 1.408(6) .
C27 C28 1.413(6) .
C28 C29 1.354(5) .
C29 C30 1.399(6) .
C30 C31 1.366(5) .
C31 C32 1.448(5) .
C31 C44 1.493(5) .
C34 C35 1.388(6) .
C35 C36 1.380(7) .
C36 C37 1.424(6) .
C37 C38 1.402(6) .
C37 C42 1.410(5) .
C38 C39 1.346(6) .
C39 C40 1.402(6) .
C40 C41 1.369(5) .
C41 C42 1.430(6) .
C41 C46 1.501(5) .
C44 C45 1.396(5) .
C44 C46 1.397(5) 2_755
C45 C46 1.395(5) .
C46 C44 1.397(5) 2_755
C47 Cl2 1.753(4) .
C47 Cl1 1.770(5) .
C48 Cl4 1.762(5) .
C48 Cl3 1.763(4) .
