#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:40:27 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179150 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/11/4311126.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_4311126
loop_
_publ_author_name
'Siu-Wai Lai'
'Yuan-Jun Hou'
'Chi-Ming Che'
'Hei-Leung Pang'
'Kwok-Yin Wong'
'Chi K. Chang'
'Nianyong Zhu'
_publ_section_title
;
 Electronic Spectroscopy, Photophysical Properties, and Emission Quenching
 Studies of an Oxidatively Robust Perfluorinated Platinum Porphyrin
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3724
_journal_page_last               3732
_journal_paper_doi               10.1021/ic049902h
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C44 F28 N4 Pt'
_chemical_formula_sum            'C44 F28 N4 Pt'
_chemical_formula_weight         1311.57
_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                 92.07(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.402(3)
_cell_length_b                   10.341(2)
_cell_length_c                   28.085(6)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     4470.2(16)
_computing_cell_refinement       Scalepack
_computing_data_collection       Marcontrol
_computing_data_reduction        Denzo
_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
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.673
_diffrn_measured_fraction_theta_max 0.673
_diffrn_measurement_device_type  'marresearch IPDS mar300'
_diffrn_measurement_method       Oscillation
_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  0.0550
_diffrn_reflns_av_sigmaI/netI    0.1196
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            11336
_diffrn_reflns_theta_full        25.56
_diffrn_reflns_theta_max         25.56
_diffrn_reflns_theta_min         1.93
_exptl_absorpt_coefficient_mu    3.295
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.949
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2488
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.893
_refine_diff_density_min         -1.214
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     694
_refine_ls_number_reflns         5657
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.0894
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0868P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1505
_refine_ls_wR_factor_ref         0.1682
_reflns_number_gt                3337
_reflns_number_total             5657
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049902hsi20040125_040746.cif
_cod_data_source_block           mar114
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4311126
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.41620(3) 0.25964(4) 0.016377(14) 0.0406(2) Uani 1 1 d . . .
F1 F 0.1450(6) 0.1242(11) -0.1029(3) 0.101(3) Uani 1 1 d . . .
F2 F 0.0674(7) 0.2275(10) -0.0175(3) 0.108(4) Uani 1 1 d . . .
F3 F 0.1939(6) 0.3656(10) 0.1562(3) 0.102(3) Uani 1 1 d . . .
F4 F 0.3665(5) 0.4366(9) 0.1962(2) 0.073(2) Uani 1 1 d . . .
F5 F 0.6784(5) 0.5122(9) 0.1131(3) 0.083(3) Uani 1 1 d . . .
F6 F 0.7508(5) 0.4210(8) 0.0241(3) 0.076(2) Uani 1 1 d . . .
F7 F 0.6472(6) 0.0383(9) -0.1006(3) 0.084(3) Uani 1 1 d . . .
F8 F 0.4738(6) -0.0250(9) -0.1419(3) 0.087(3) Uani 1 1 d . . .
F9 F 0.1009(6) 0.5067(9) 0.0417(3) 0.090(3) Uani 1 1 d . . .
F10 F -0.0615(7) 0.5146(12) 0.0675(4) 0.126(4) Uani 1 1 d . . .
F11 F -0.1374(7) 0.3074(14) 0.1109(4) 0.131(4) Uani 1 1 d . . .
F12 F -0.0461(7) 0.1027(12) 0.1270(5) 0.144(5) Uani 1 1 d . . .
F13 F 0.1264(7) 0.0907(10) 0.1038(4) 0.114(4) Uani 1 1 d . . .
F14 F 0.5118(5) 0.6718(7) 0.1409(3) 0.067(2) Uani 1 1 d . . .
F15 F 0.5740(6) 0.7637(8) 0.2246(3) 0.078(3) Uani 1 1 d . . .
F16 F 0.6269(6) 0.5993(9) 0.2944(3) 0.086(3) Uani 1 1 d . . .
F17 F 0.6192(6) 0.3348(9) 0.2787(3) 0.087(3) Uani 1 1 d . . .
F18 F 0.5545(6) 0.2460(7) 0.1949(3) 0.068(2) Uani 1 1 d . . .
F19 F 0.7630(5) 0.1077(9) 0.0235(3) 0.084(3) Uani 1 1 d . . .
F20 F 0.9213(5) 0.0808(11) -0.0124(3) 0.102(3) Uani 1 1 d . . .
F21 F 0.9559(6) 0.1938(11) -0.0973(3) 0.101(3) Uani 1 1 d . . .
F22 F 0.8309(6) 0.3262(11) -0.1452(3) 0.110(4) Uani 1 1 d . . .
F23 F 0.6714(5) 0.3464(10) -0.1102(3) 0.090(3) Uani 1 1 d . . .
F24 F 0.3240(6) -0.1596(8) -0.1058(3) 0.074(2) Uani 1 1 d . . .
F25 F 0.2598(7) -0.2561(8) -0.1874(3) 0.086(3) Uani 1 1 d . . .
F26 F 0.2101(6) -0.0937(10) -0.2591(3) 0.101(3) Uani 1 1 d . . .
F27 F 0.2226(7) 0.1701(10) -0.2462(3) 0.099(3) Uani 1 1 d . . .
F28 F 0.2817(6) 0.2628(8) -0.1632(3) 0.072(2) Uani 1 1 d . . .
N1 N 0.2983(7) 0.2150(9) -0.0111(3) 0.042(3) Uani 1 1 d . . .
N2 N 0.3636(7) 0.3253(11) 0.0763(3) 0.048(3) Uani 1 1 d . . .
N3 N 0.5333(7) 0.3200(10) 0.0409(3) 0.043(3) Uani 1 1 d . . .
N4 N 0.4700(7) 0.1785(10) -0.0405(3) 0.045(3) Uani 1 1 d . . .
C1 C 0.2798(8) 0.1636(12) -0.0559(4) 0.045(3) Uani 1 1 d . . .
C2 C 0.1883(9) 0.1644(14) -0.0633(4) 0.057(4) Uani 1 1 d . . .
C3 C 0.1526(10) 0.2119(14) -0.0242(5) 0.056(4) Uani 1 1 d . . .
C4 C 0.2205(9) 0.2455(12) 0.0092(4) 0.049(3) Uani 1 1 d . . .
C5 C 0.2074(9) 0.2886(12) 0.0548(4) 0.046(3) Uani 1 1 d . . .
C6 C 0.2749(9) 0.3195(13) 0.0859(4) 0.045(3) Uani 1 1 d . . .
C7 C 0.2704(9) 0.3583(14) 0.1347(4) 0.054(4) Uani 1 1 d . . .
C8 C 0.3475(9) 0.3897(13) 0.1521(4) 0.049(4) Uani 1 1 d . . .
C9 C 0.4115(9) 0.3732(12) 0.1161(4) 0.046(3) Uani 1 1 d . . .
C10 C 0.4943(9) 0.4038(12) 0.1188(4) 0.042(3) Uani 1 1 d . . .
C11 C 0.5507(8) 0.3913(12) 0.0820(4) 0.043(3) Uani 1 1 d . . .
C12 C 0.6364(9) 0.4366(14) 0.0792(4) 0.058(4) Uani 1 1 d . . .
C13 C 0.6698(8) 0.3961(13) 0.0392(4) 0.046(3) Uani 1 1 d . . .
C14 C 0.6087(8) 0.3168(13) 0.0159(4) 0.044(3) Uani 1 1 d . . .
C15 C 0.6233(8) 0.2383(12) -0.0234(4) 0.042(3) Uani 1 1 d . . .
C16 C 0.5592(9) 0.1678(12) -0.0468(4) 0.045(3) Uani 1 1 d . . .
C17 C 0.5694(10) 0.0798(13) -0.0859(4) 0.055(4) Uani 1 1 d . . .
C18 C 0.4881(10) 0.0490(14) -0.1046(4) 0.060(4) Uani 1 1 d . . .
C19 C 0.4222(10) 0.1082(12) -0.0775(4) 0.046(3) Uani 1 1 d . . .
C20 C 0.3385(9) 0.1095(13) -0.0862(4) 0.046(3) Uani 1 1 d . . .
C21 C 0.1178(10) 0.3052(16) 0.0712(4) 0.051(4) Uani 1 1 d . . .
C22 C 0.0712(10) 0.4076(19) 0.0630(5) 0.060(5) Uani 1 1 d . . .
C23 C -0.0049(17) 0.4109(19) 0.0765(7) 0.100(7) Uani 1 1 d . . .
C24 C -0.0481(11) 0.310(3) 0.0982(7) 0.090(6) Uani 1 1 d . . .
C25 C -0.0073(13) 0.208(2) 0.1057(6) 0.081(5) Uani 1 1 d . . .
C26 C 0.0792(13) 0.2047(19) 0.0919(6) 0.082(5) Uani 1 1 d . . .
C27 C 0.5317(8) 0.4569(12) 0.1653(4) 0.043(3) Uani 1 1 d . . .
C28 C 0.5350(9) 0.5880(14) 0.1746(4) 0.052(4) Uani 1 1 d . . .
C29 C 0.5685(9) 0.6366(14) 0.2174(5) 0.055(4) Uani 1 1 d . . .
C30 C 0.5958(10) 0.5525(16) 0.2526(5) 0.066(4) Uani 1 1 d . . .
C31 C 0.5922(9) 0.4216(16) 0.2442(4) 0.061(4) Uani 1 1 d . . .
C32 C 0.5582(9) 0.3721(15) 0.2009(4) 0.056(4) Uani 1 1 d . . .
C33 C 0.7124(9) 0.2320(12) -0.0416(4) 0.047(3) Uani 1 1 d . . .
C34 C 0.7775(10) 0.1631(14) -0.0190(4) 0.056(4) Uani 1 1 d . . .
C35 C 0.8582(10) 0.1512(15) -0.0361(5) 0.065(4) Uani 1 1 d . . .
C36 C 0.8767(9) 0.2084(16) -0.0797(5) 0.059(4) Uani 1 1 d . . .
C37 C 0.8141(10) 0.2719(15) -0.1031(5) 0.064(4) Uani 1 1 d . . .
C38 C 0.7334(9) 0.2808(13) -0.0847(5) 0.056(4) Uani 1 1 d . . .
C39 C 0.3057(9) 0.0546(13) -0.1319(4) 0.049(4) Uani 1 1 d . . .
C40 C 0.2992(9) -0.0739(14) -0.1391(4) 0.051(4) Uani 1 1 d . . .
C41 C 0.2669(10) -0.1283(15) -0.1801(5) 0.061(4) Uani 1 1 d . . .
C42 C 0.2391(10) -0.046(2) -0.2158(5) 0.078(5) Uani 1 1 d . . .
C43 C 0.2452(10) 0.0913(17) -0.2107(4) 0.065(4) Uani 1 1 d . . .
C44 C 0.2794(9) 0.1332(15) -0.1685(4) 0.058(4) 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
Pt Pt -1.7033 8.3905 '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'
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'
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
N1 Pt1 N3 174.8(4) . . ?
N1 Pt1 N4 89.5(4) . . ?
N3 Pt1 N4 90.7(4) . . ?
N1 Pt1 N2 90.8(4) . . ?
N3 Pt1 N2 89.5(4) . . ?
N4 Pt1 N2 174.8(4) . . ?
C4 N1 C1 108.0(10) . . ?
C4 N1 Pt1 125.1(7) . . ?
C1 N1 Pt1 126.4(8) . . ?
C6 N2 C9 110.5(10) . . ?
C6 N2 Pt1 124.8(7) . . ?
C9 N2 Pt1 124.6(9) . . ?
C14 N3 C11 107.2(10) . . ?
C14 N3 Pt1 125.5(8) . . ?
C11 N3 Pt1 126.5(9) . . ?
C16 N4 C19 110.2(10) . . ?
C16 N4 Pt1 124.8(8) . . ?
C19 N4 Pt1 124.6(9) . . ?
C20 C1 N1 126.6(12) . . ?
C20 C1 C2 125.4(11) . . ?
N1 C1 C2 107.7(11) . . ?
C3 C2 F1 126.0(13) . . ?
C3 C2 C1 108.4(11) . . ?
F1 C2 C1 125.6(12) . . ?
C2 C3 F2 126.2(13) . . ?
C2 C3 C4 108.5(13) . . ?
F2 C3 C4 125.3(12) . . ?
C5 C4 N1 128.1(11) . . ?
C5 C4 C3 124.3(13) . . ?
N1 C4 C3 107.4(11) . . ?
C6 C5 C4 122.3(12) . . ?
C6 C5 C21 118.0(11) . . ?
C4 C5 C21 119.7(11) . . ?
C5 C6 N2 127.5(10) . . ?
C5 C6 C7 127.8(12) . . ?
N2 C6 C7 104.7(11) . . ?
C8 C7 F3 128.0(12) . . ?
C8 C7 C6 110.6(11) . . ?
F3 C7 C6 121.3(12) . . ?
C7 C8 F4 126.5(12) . . ?
C7 C8 C9 110.0(11) . . ?
F4 C8 C9 123.4(11) . . ?
C10 C9 N2 127.6(11) . . ?
C10 C9 C8 128.1(11) . . ?
N2 C9 C8 104.1(11) . . ?
C9 C10 C11 124.8(11) . . ?
C9 C10 C27 118.4(11) . . ?
C11 C10 C27 116.9(12) . . ?
C10 C11 N3 124.5(12) . . ?
C10 C11 C12 128.9(11) . . ?
N3 C11 C12 106.5(11) . . ?
C13 C12 F5 125.5(13) . . ?
C13 C12 C11 109.8(11) . . ?
F5 C12 C11 124.7(12) . . ?
C12 C13 F6 126.7(12) . . ?
C12 C13 C14 108.0(12) . . ?
F6 C13 C14 125.2(11) . . ?
N3 C14 C13 108.2(11) . . ?
N3 C14 C15 125.5(11) . . ?
C13 C14 C15 126.0(12) . . ?
C16 C15 C14 123.5(12) . . ?
C16 C15 C33 118.0(11) . . ?
C14 C15 C33 118.4(11) . . ?
C15 C16 N4 126.1(11) . . ?
C15 C16 C17 127.1(13) . . ?
N4 C16 C17 106.4(12) . . ?
F7 C17 C18 127.8(11) . . ?
F7 C17 C16 123.8(13) . . ?
C18 C17 C16 108.4(12) . . ?
F8 C18 C17 124.4(13) . . ?
F8 C18 C19 125.1(13) . . ?
C17 C18 C19 110.5(11) . . ?
C20 C19 C18 128.4(12) . . ?
C20 C19 N4 127.1(12) . . ?
C18 C19 N4 104.3(12) . . ?
C19 C20 C1 123.6(11) . . ?
C19 C20 C39 117.6(12) . . ?
C1 C20 C39 118.7(12) . . ?
C22 C21 C26 117.3(16) . . ?
C22 C21 C5 123.9(14) . . ?
C26 C21 C5 118.5(16) . . ?
C23 C22 F9 118.5(18) . . ?
C23 C22 C21 119.4(18) . . ?
F9 C22 C21 122.1(14) . . ?
C22 C23 C24 125.6(18) . . ?
C22 C23 F10 124(2) . . ?
C24 C23 F10 110(2) . . ?
C25 C24 C23 117.8(17) . . ?
C25 C24 F11 115(2) . . ?
C23 C24 F11 127(2) . . ?
C24 C25 F12 121(2) . . ?
C24 C25 C26 116.8(18) . . ?
F12 C25 C26 122(2) . . ?
C21 C26 C25 122.9(17) . . ?
C21 C26 F13 121.0(18) . . ?
C25 C26 F13 116.0(19) . . ?
C32 C27 C28 118.7(12) . . ?
C32 C27 C10 119.2(12) . . ?
C28 C27 C10 122.0(11) . . ?
F14 C28 C27 120.1(11) . . ?
F14 C28 C29 117.7(13) . . ?
C27 C28 C29 122.0(12) . . ?
F15 C29 C30 119.9(12) . . ?
F15 C29 C28 120.7(13) . . ?
C30 C29 C28 119.4(14) . . ?
F16 C30 C29 119.6(14) . . ?
F16 C30 C31 121.0(13) . . ?
C29 C30 C31 119.4(13) . . ?
F17 C31 C30 120.9(12) . . ?
F17 C31 C32 117.9(14) . . ?
C30 C31 C32 121.2(13) . . ?
F18 C32 C27 121.9(12) . . ?
F18 C32 C31 118.9(12) . . ?
C27 C32 C31 119.2(14) . . ?
C38 C33 C34 114.2(13) . . ?
C38 C33 C15 122.9(11) . . ?
C34 C33 C15 122.4(12) . . ?
C35 C34 F19 117.3(12) . . ?
C35 C34 C33 123.4(12) . . ?
F19 C34 C33 119.2(12) . . ?
C34 C35 F20 121.3(13) . . ?
C34 C35 C36 119.3(13) . . ?
F20 C35 C36 119.3(13) . . ?
C37 C36 F21 121.9(13) . . ?
C37 C36 C35 118.6(13) . . ?
F21 C36 C35 119.5(13) . . ?
C36 C37 F22 119.1(13) . . ?
C36 C37 C38 120.2(12) . . ?
F22 C37 C38 120.8(13) . . ?
F23 C38 C33 118.0(13) . . ?
F23 C38 C37 117.9(12) . . ?
C33 C38 C37 124.1(12) . . ?
C40 C39 C44 117.2(12) . . ?
C40 C39 C20 122.1(11) . . ?
C44 C39 C20 120.7(12) . . ?
F24 C40 C39 122.1(11) . . ?
F24 C40 C41 114.0(13) . . ?
C39 C40 C41 124.0(14) . . ?
F25 C41 C40 124.2(14) . . ?
F25 C41 C42 118.6(14) . . ?
C40 C41 C42 117.2(15) . . ?
C41 C42 F26 120.5(17) . . ?
C41 C42 C43 121.7(13) . . ?
F26 C42 C43 117.7(15) . . ?
F27 C43 C44 123.1(16) . . ?
F27 C43 C42 121.4(13) . . ?
C44 C43 C42 115.4(14) . . ?
C43 C44 F28 115.1(13) . . ?
C43 C44 C39 124.5(15) . . ?
F28 C44 C39 120.2(11) . . ?
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 N1 2.001(10) . ?
Pt1 N3 2.007(10) . ?
Pt1 N4 2.009(10) . ?
Pt1 N2 2.013(10) . ?
F1 C2 1.340(13) . ?
F2 C3 1.342(16) . ?
F3 C7 1.346(14) . ?
F4 C8 1.353(12) . ?
F5 C12 1.376(14) . ?
F6 C13 1.357(14) . ?
F7 C17 1.351(15) . ?
F8 C18 1.310(14) . ?
F9 C22 1.280(18) . ?
F10 C23 1.399(19) . ?
F11 C24 1.433(19) . ?
F12 C25 1.385(18) . ?
F13 C26 1.419(17) . ?
F14 C28 1.322(14) . ?
F15 C29 1.332(14) . ?
F16 C30 1.341(14) . ?
F17 C31 1.373(15) . ?
F18 C32 1.316(15) . ?
F19 C34 1.351(13) . ?
F20 C35 1.369(15) . ?
F21 C36 1.341(15) . ?
F22 C37 1.343(14) . ?
F23 C38 1.354(14) . ?
F24 C40 1.335(15) . ?
F25 C41 1.342(15) . ?
F26 C42 1.374(14) . ?
F27 C43 1.325(16) . ?
F28 C44 1.348(15) . ?
N1 C4 1.383(16) . ?
N1 C1 1.384(13) . ?
N2 C6 1.402(15) . ?
N2 C9 1.407(14) . ?
N3 C14 1.378(14) . ?
N3 C11 1.387(14) . ?
N4 C16 1.396(15) . ?
N4 C19 1.447(15) . ?
C1 C20 1.384(16) . ?
C1 C2 1.417(17) . ?
C2 C3 1.340(17) . ?
C3 C4 1.423(17) . ?
C4 C5 1.378(17) . ?
C5 C6 1.371(16) . ?
C5 C21 1.480(19) . ?
C6 C7 1.431(16) . ?
C7 C8 1.309(16) . ?
C8 C9 1.447(17) . ?
C9 C10 1.314(17) . ?
C10 C11 1.380(16) . ?
C10 C27 1.512(15) . ?
C11 C12 1.405(17) . ?
C12 C13 1.319(17) . ?
C13 C14 1.394(16) . ?
C14 C15 1.396(17) . ?
C15 C16 1.376(17) . ?
C15 C33 1.482(19) . ?
C16 C17 1.438(16) . ?
C17 C18 1.378(18) . ?
C18 C19 1.428(18) . ?
C19 C20 1.304(17) . ?
C20 C39 1.476(16) . ?
C21 C22 1.30(2) . ?
C21 C26 1.34(2) . ?
C22 C23 1.24(2) . ?
C23 C24 1.39(3) . ?
C24 C25 1.24(3) . ?
C25 C26 1.40(2) . ?
C27 C32 1.379(17) . ?
C27 C28 1.381(18) . ?
C28 C29 1.384(18) . ?
C29 C30 1.37(2) . ?
C30 C31 1.38(2) . ?
C31 C32 1.405(18) . ?
C33 C38 1.361(18) . ?
C33 C34 1.368(17) . ?
C34 C35 1.354(18) . ?
C35 C36 1.397(19) . ?
C36 C37 1.321(19) . ?
C37 C38 1.366(19) . ?
C39 C40 1.347(18) . ?
C39 C44 1.361(18) . ?
C40 C41 1.358(18) . ?
C41 C42 1.37(2) . ?
C42 C43 1.43(2) . ?
C43 C44 1.351(18) . ?
