#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:23:37 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178897 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/26/4112682.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_4112682
loop_
_publ_author_name
'Wei Lu'
'Michael C. W. Chan'
'Nianyong Zhu'
'Chi-Ming Che'
'Chuannan Li'
'Zheng Hui'
_publ_contact_author_address
;
Department of Chemistry, The University of Hong Kong, Pokfulam Road, 
Hong kong SAR, China
;
_publ_contact_author_name        'Chi-Ming Che (Prof.)'
_publ_section_title
;
 Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in
 Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered
 by Oligophosphine Auxiliaries
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7639
_journal_page_last               7651
_journal_paper_doi               10.1021/ja039727o
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C40 H30 F12 O10 P4 Pt2'
_chemical_formula_sum            'C77 H82 F12 N6 O8 P4 Pt2'
_chemical_formula_weight         1961.55
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           179
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 65 2 (0 0 1)'
_symmetry_space_group_name_H-M   'P 65 2 2'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   19.365(3)
_cell_length_b                   19.365(3)
_cell_length_c                   42.143(8)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     13686(4)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      253(2)
_diffrn_measured_fraction_theta_full 0.808
_diffrn_measured_fraction_theta_max 0.808
_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  0.0835
_diffrn_reflns_av_sigmaI/netI    0.1337
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            39584
_diffrn_reflns_theta_full        25.40
_diffrn_reflns_theta_max         25.40
_diffrn_reflns_theta_min         1.21
_exptl_absorpt_coefficient_mu    3.208
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_description       prism
_exptl_crystal_F_000             5844
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.453
_refine_diff_density_min         -1.114
_refine_diff_density_rms         0.293
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.018(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         6474
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0844
_refine_ls_R_factor_gt           0.0497
_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)+(0.0779P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1411
_refine_ls_wR_factor_ref         0.1618
_reflns_number_gt                4075
_reflns_number_total             6474
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja039727osi20040406_083915_4.cif
_cod_data_source_block           Cpd22(PF6)2-mar794
_cod_database_code               4112682
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, -x, -z+1/6'
'y, x, -z+2/3'
'x-y, -y, -z'
'-x+y, y, -z+1/2'
'x, x-y, -z+5/6'
'-x, -x+y, -z+1/3'
'-y, x-y, z+2/3'
'y, -x+y, z+1/6'
'x-y, x, z+5/6'
'-x+y, -x, z+1/3'
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
Pt1 Pt 0.28689(4) 0.81565(4) 0.044523(12) 0.0542(2) Uani 1 1 d .
P1 P 0.2958(3) 0.7042(3) 0.04525(8) 0.0577(10) Uani 1 1 d .
P2 P -0.0173(6) 1.0000 0.0000 0.136(4) Uani 1 2 d S
P3 P -0.0628(12) 0.5248(12) -0.0807(4) 0.163(6) Uiso 0.50 1 d PD
O1 O 0.4751(9) 1.2393(9) 0.0635(3) 0.115(5) Uani 1 1 d D
O2 O 0.4570(10) 1.1749(11) 0.1288(4) 0.152(6) Uiso 1 1 d D
O3 O 0.3140(10) 1.1836(13) 0.1487(4) 0.178(8) Uiso 1 1 d D
O4 O 0.2332(10) 1.1823(12) 0.0907(3) 0.143(7) Uani 1 1 d D
N1 N 0.1602(7) 0.7754(8) 0.0454(2) 0.056(3) Uani 1 1 d .
N2 N 0.2805(9) 0.9152(7) 0.0414(2) 0.058(3) Uani 1 1 d .
N3 N 0.2791(9) 1.1279(9) 0.0372(3) 0.068(4) Uani 1 1 d .
C1 C 0.1001(10) 0.7004(10) 0.0477(3) 0.059(4) Uani 1 1 d .
H1 H 0.1120 0.6595 0.0493 0.070 Uiso 1 1 calc R
C2 C 0.0217(12) 0.6810(10) 0.0477(3) 0.074(5) Uani 1 1 d .
H2 H -0.0189 0.6282 0.0493 0.088 Uiso 1 1 calc R
C3 C 0.0045(10) 0.7415(10) 0.0452(3) 0.069(5) Uani 1 1 d .
H3 H -0.0479 0.7310 0.0458 0.083 Uiso 1 1 calc R
C4 C 0.0681(11) 0.8195(10) 0.0415(3) 0.064(4) Uani 1 1 d .
H4 H 0.0580 0.8611 0.0383 0.077 Uiso 1 1 calc R
C5 C 0.1440(9) 0.8347(9) 0.0427(3) 0.045(3) Uani 1 1 d .
C6 C 0.2096(9) 0.9122(10) 0.0410(3) 0.052(4) Uani 1 1 d .
C7 C 0.2067(9) 0.9815(11) 0.0403(3) 0.058(4) Uani 1 1 d .
H7 H 0.1575 0.9791 0.0411 0.070 Uiso 1 1 calc R
C8 C 0.2740(12) 1.0532(12) 0.0385(3) 0.067(5) Uani 1 1 d .
C9 C 0.3492(11) 1.0549(10) 0.0384(3) 0.069(5) Uani 1 1 d .
H9 H 0.3964 1.1035 0.0366 0.083 Uiso 1 1 calc R
C10 C 0.3522(11) 0.9840(10) 0.0410(3) 0.062(5) Uani 1 1 d .
C11 C 0.4204(9) 0.9739(10) 0.0407(4) 0.056(4) Uani 1 1 d .
C12 C 0.4045(10) 0.8984(11) 0.0423(3) 0.062(5) Uani 1 1 d .
C13 C 0.4733(12) 0.8883(11) 0.0427(3) 0.080(5) Uani 1 1 d .
H13 H 0.4651 0.8367 0.0424 0.096 Uiso 1 1 calc R
C14 C 0.5503(9) 0.9508(12) 0.0435(4) 0.076(5) Uani 1 1 d .
H14 H 0.5930 0.9415 0.0440 0.092 Uiso 1 1 calc R
C15 C 0.5626(12) 1.0251(13) 0.0436(5) 0.099(6) Uani 1 1 d .
H15 H 0.6142 1.0679 0.0456 0.119 Uiso 1 1 calc R
C16 C 0.4986(11) 1.0391(12) 0.0409(4) 0.077(5) Uani 1 1 d .
H16 H 0.5076 1.0908 0.0391 0.092 Uiso 1 1 calc R
C17 C 0.3542(11) 1.2045(10) 0.0356(3) 0.068(5) Uani 1 1 d .
H17A H 0.3426 1.2448 0.0278 0.081 Uiso 1 1 calc R
H17B H 0.3888 1.1997 0.0202 0.081 Uiso 1 1 calc R
C18 C 0.4006(12) 1.2344(11) 0.0676(4) 0.083(5) Uani 1 1 d .
H18A H 0.4079 1.2863 0.0730 0.099 Uiso 1 1 calc R
H18B H 0.3711 1.1975 0.0845 0.099 Uiso 1 1 calc R
C19 C 0.5308(12) 1.2743(12) 0.0898(5) 0.155(10) Uiso 1 1 d D
H19A H 0.5841 1.3077 0.0814 0.186 Uiso 1 1 calc R
H19B H 0.5168 1.3080 0.1020 0.186 Uiso 1 1 calc R
C20 C 0.5309(13) 1.2155(16) 0.1103(5) 0.176(12) Uiso 1 1 d D
H20A H 0.5761 1.2409 0.1245 0.211 Uiso 1 1 calc R
H20B H 0.5364 1.1767 0.0977 0.211 Uiso 1 1 calc R
C23 C 0.2701(18) 1.2239(16) 0.1432(5) 0.188(13) Uiso 1 1 d D
H23A H 0.3047 1.2752 0.1334 0.225 Uiso 1 1 calc R
H23B H 0.2519 1.2334 0.1633 0.225 Uiso 1 1 calc R
C24 C 0.2013(13) 1.1762(19) 0.1226(5) 0.189(13) Uiso 1 1 d D
H24A H 0.1730 1.1210 0.1295 0.227 Uiso 1 1 calc R
H24B H 0.1648 1.1967 0.1230 0.227 Uiso 1 1 calc R
C25 C 0.1764(17) 1.1231(17) 0.0753(7) 0.144(10) Uani 1 1 d .
H25A H 0.1272 1.1246 0.0771 0.173 Uiso 1 1 calc R
H25B H 0.1676 1.0729 0.0838 0.173 Uiso 1 1 calc R
C26 C 0.2041(13) 1.1322(11) 0.0384(4) 0.096(7) Uani 1 1 d .
H26A H 0.1628 1.0897 0.0258 0.115 Uiso 1 1 calc R
H26B H 0.2136 1.1828 0.0300 0.115 Uiso 1 1 calc R
C27 C 0.3235(7) 0.6765(7) 0.0833 0.073(7) Uani 1 2 d S
H27A H 0.3810 0.6995 0.0833 0.087 Uiso 0.50 1 calc PR
H27B H 0.3005 0.6190 0.0833 0.087 Uiso 0.50 1 calc PR
C28 C 0.3680(10) 0.7017(10) 0.0174(3) 0.060(4) Uani 1 1 d .
C29 C 0.3789(11) 0.7452(11) -0.0124(3) 0.079(5) Uani 1 1 d .
H29 H 0.3525 0.7733 -0.0167 0.095 Uiso 1 1 calc R
C30 C 0.4313(13) 0.7414(14) -0.0336(4) 0.098(7) Uani 1 1 d .
H30 H 0.4423 0.7693 -0.0526 0.117 Uiso 1 1 calc R
C31 C 0.4674(14) 0.6979(15) -0.0274(5) 0.122(9) Uani 1 1 d .
H31 H 0.5005 0.6957 -0.0429 0.146 Uiso 1 1 calc R
C32 C 0.4580(13) 0.6589(15) -0.0009(4) 0.117(9) Uani 1 1 d .
H32 H 0.4847 0.6308 0.0028 0.141 Uiso 1 1 calc R
C33 C 0.4079(16) 0.6610(13) 0.0211(4) 0.117(9) Uani 1 1 d .
H33 H 0.4004 0.6329 0.0398 0.141 Uiso 1 1 calc R
C34 C 0.2028(11) 0.6155(11) 0.0306(4) 0.072(5) Uani 1 1 d .
C35 C 0.1761(11) 0.6231(10) 0.0017(4) 0.076(5) Uani 1 1 d .
H35 H 0.2077 0.6686 -0.0103 0.091 Uiso 1 1 calc R
C36 C 0.1083(15) 0.5692(17) -0.0099(5) 0.118(8) Uani 1 1 d .
H36 H 0.0907 0.5761 -0.0295 0.141 Uiso 1 1 calc R
C37 C 0.0648(13) 0.5045(16) 0.0070(6) 0.120(9) Uani 1 1 d .
H37 H 0.0149 0.4674 -0.0008 0.144 Uiso 1 1 calc R
C38 C 0.0884(13) 0.4881(14) 0.0354(5) 0.122(9) Uani 1 1 d .
H38 H 0.0580 0.4396 0.0458 0.146 Uiso 1 1 calc R
C39 C 0.1580(12) 0.5461(11) 0.0474(4) 0.090(6) Uani 1 1 d .
H39 H 0.1757 0.5392 0.0670 0.107 Uiso 1 1 calc R
F1 F 0.0275(9) 0.9710(9) 0.0233(4) 0.176(7) Uani 1 1 d .
F2 F -0.0569(9) 0.9106(10) -0.0149(4) 0.186(7) Uani 1 1 d .
F3 F -0.0891(12) 0.9703(13) 0.0261(4) 0.210(8) Uani 1 1 d .
F4 F -0.040(2) 0.6024(18) -0.0585(7) 0.200(14) Uiso 0.50 1 d PD
F5 F -0.047(3) 0.594(2) -0.1071(8) 0.246(18) Uiso 0.50 1 d PD
F6 F -0.1547(15) 0.5104(19) -0.0770(6) 0.158(10) Uiso 0.50 1 d PD
F7 F -0.0834(15) 0.4529(15) -0.0566(5) 0.269(10) Uiso 1 1 d D
F8 F 0.0124(19) 0.5062(10) -0.0833 0.269(15) Uiso 1 2 d SD
C22 C 0.3701(17) 1.178(2) 0.1696(5) 0.254(18) Uiso 1 1 d D
H22A H 0.3729 1.2038 0.1897 0.305 Uiso 1 1 calc R
H22B H 0.3525 1.1222 0.1739 0.305 Uiso 1 1 calc R
C21 C 0.4474(14) 1.2152(19) 0.1550(7) 0.227(16) Uiso 1 1 d D
H21A H 0.4601 1.2680 0.1481 0.272 Uiso 1 1 calc R
H21B H 0.4862 1.2219 0.1711 0.272 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt Pt -1.7033 8.3905 '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'
O O 0.0106 0.0060 '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'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 '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
N2 Pt1 C12 79.7(6) . .
N2 Pt1 N1 75.1(5) . .
C12 Pt1 N1 154.9(6) . .
N2 Pt1 P1 176.9(3) . .
C12 Pt1 P1 99.4(5) . .
N1 Pt1 P1 105.7(4) . .
C28 P1 C27 102.1(8) . .
C28 P1 C34 99.2(7) . .
C27 P1 C34 107.8(6) . .
C28 P1 Pt1 116.1(6) . .
C27 P1 Pt1 117.5(6) . .
C34 P1 Pt1 112.1(6) . .
F1 P2 F1 87.3(15) 5_675 .
F1 P2 F2 90.0(9) 5_675 .
F1 P2 F2 85.0(10) . .
F1 P2 F2 85.0(10) 5_675 5_675
F1 P2 F2 90.0(9) . 5_675
F2 P2 F2 173.1(16) . 5_675
F1 P2 F3 175.9(12) 5_675 .
F1 P2 F3 88.8(9) . .
F2 P2 F3 91.1(10) . .
F2 P2 F3 93.5(10) 5_675 .
F1 P2 F3 88.8(9) 5_675 5_675
F1 P2 F3 175.9(12) . 5_675
F2 P2 F3 93.5(10) . 5_675
F2 P2 F3 91.1(10) 5_675 5_675
F3 P2 F3 95.1(15) . 5_675
F7 P3 F7 89.2(18) . 7_564
F7 P3 F4 105.7(19) . .
F7 P3 F4 165(2) 7_564 .
F7 P3 F5 176(2) . .
F7 P3 F5 87.3(19) 7_564 .
F4 P3 F5 78(2) . .
F7 P3 F6 90.8(17) . .
F7 P3 F6 95.6(17) 7_564 .
F4 P3 F6 83.0(18) . .
F5 P3 F6 87(2) . .
F7 P3 F8 73.6(15) . .
F7 P3 F8 73.4(15) 7_564 .
F4 P3 F8 111.7(17) . .
F5 P3 F8 107.3(18) . .
F6 P3 F8 161(2) . .
F7 P3 P3 47.4(11) . 7_564
F7 P3 P3 47.0(10) 7_564 7_564
F4 P3 P3 146.8(19) . 7_564
F5 P3 P3 130(2) . 7_564
F6 P3 P3 111.9(13) . 7_564
F8 P3 P3 49.0(10) . 7_564
C18 O1 C19 115.8(16) . .
C21 O2 C20 119(2) . .
C23 O3 C22 145(2) . .
C25 O4 C24 105(2) . .
C1 N1 C5 119.3(13) . .
C1 N1 Pt1 127.2(11) . .
C5 N1 Pt1 113.4(10) . .
C6 N2 C10 124.3(13) . .
C6 N2 Pt1 120.9(11) . .
C10 N2 Pt1 114.8(12) . .
C8 N3 C17 124.5(15) . .
C8 N3 C26 119.1(16) . .
C17 N3 C26 116.4(14) . .
N1 C1 C2 122.7(16) . .
C1 C2 C3 118.4(17) . .
C2 C3 C4 118.1(17) . .
C5 C4 C3 120.5(15) . .
N1 C5 C4 120.9(14) . .
N1 C5 C6 116.6(14) . .
C4 C5 C6 122.6(15) . .
N2 C6 C7 119.8(14) . .
N2 C6 C5 114.0(14) . .
C7 C6 C5 126.1(14) . .
C8 C7 C6 121.1(16) . .
C7 C8 N3 126.7(17) . .
C7 C8 C9 118.0(17) . .
N3 C8 C9 115.3(18) . .
C10 C9 C8 120.8(16) . .
N2 C10 C9 115.8(15) . .
N2 C10 C11 115.2(15) . .
C9 C10 C11 128.7(18) . .
C12 C11 C16 122.5(15) . .
C12 C11 C10 115.3(15) . .
C16 C11 C10 122.0(16) . .
C11 C12 C13 115.2(16) . .
C11 C12 Pt1 114.8(12) . .
C13 C12 Pt1 130.0(13) . .
C14 C13 C12 123.5(17) . .
C15 C14 C13 118.7(17) . .
C14 C15 C16 120.6(18) . .
C15 C16 C11 119.1(17) . .
N3 C17 C18 115.5(12) . .
O1 C18 C17 107.5(13) . .
C20 C19 O1 112.6(15) . .
C19 C20 O2 111.1(15) . .
O3 C23 C24 110.6(15) . .
O4 C24 C23 106.3(15) . .
O4 C25 C26 107(2) . .
N3 C26 C25 107.7(16) . .
P1 C27 P1 119.8(13) . 3_665
C33 C28 C29 118.0(15) . .
C33 C28 P1 126.9(14) . .
C29 C28 P1 115.0(12) . .
C30 C29 C28 114.8(17) . .
C31 C30 C29 122.0(18) . .
C32 C31 C30 123.6(17) . .
C31 C32 C33 117(2) . .
C32 C33 C28 124.3(18) . .
C35 C34 C39 118.6(17) . .
C35 C34 P1 116.2(15) . .
C39 C34 P1 125.1(14) . .
C36 C35 C34 122.4(19) . .
C35 C36 C37 118(2) . .
C36 C37 C38 124(2) . .
C39 C38 C37 116(2) . .
C38 C39 C34 120.0(19) . .
P3 F7 P3 85.6(17) . 7_564
P3 F8 P3 82(2) 7_564 .
C21 C22 O3 109.5(16) . .
O2 C21 C22 116.5(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N2 1.998(12) .
Pt1 C12 2.028(17) .
Pt1 N1 2.172(12) .
Pt1 P1 2.249(4) .
P1 C28 1.845(15) .
P1 C27 1.855(13) .
P1 C34 1.867(18) .
P2 F1 1.586(15) 5_675
P2 F1 1.586(15) .
P2 F2 1.628(17) .
P2 F2 1.628(17) 5_675
P2 F3 1.635(18) .
P2 F3 1.635(18) 5_675
P3 F7 1.607(16) .
P3 F7 1.62(3) 7_564
P3 F4 1.632(18) .
P3 F5 1.639(19) .
P3 F6 1.664(18) .
P3 F8 1.670(17) .
P3 P3 2.19(4) 7_564
O1 C18 1.41(2) .
O1 C19 1.456(16) .
O2 C21 1.418(18) .
O2 C20 1.467(17) .
O3 C23 1.431(17) .
O3 C22 1.447(18) .
O4 C25 1.30(3) .
O4 C24 1.459(17) .
N1 C1 1.335(18) .
N1 C5 1.338(17) .
N2 C6 1.344(18) .
N2 C10 1.36(2) .
N3 C8 1.40(2) .
N3 C17 1.47(2) .
N3 C26 1.50(2) .
C1 C2 1.37(2) .
C2 C3 1.37(2) .
C3 C4 1.40(2) .
C4 C5 1.35(2) .
C5 C6 1.40(2) .
C6 C7 1.37(2) .
C7 C8 1.35(2) .
C8 C9 1.44(2) .
C9 C10 1.41(2) .
C10 C11 1.43(2) .
C11 C12 1.34(2) .
C11 C16 1.41(2) .
C12 C13 1.44(2) .
C13 C14 1.37(2) .
C14 C15 1.34(3) .
C15 C16 1.40(2) .
C17 C18 1.56(2) .
C19 C20 1.43(2) .
C23 C24 1.47(2) .
C25 C26 1.62(3) .
C27 P1 1.855(13) 3_665
C28 C33 1.36(2) .
C28 C29 1.47(2) .
C29 C30 1.38(2) .
C30 C31 1.36(3) .
C31 C32 1.31(3) .
C32 C33 1.36(3) .
C34 C35 1.36(2) .
C34 C39 1.38(2) .
C35 C36 1.30(3) .
C36 C37 1.32(3) .
C37 C38 1.37(3) .
C38 C39 1.35(3) .
F7 P3 1.62(3) 7_564
F8 P3 1.670(17) 7_564
C22 C21 1.43(2) .
