#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:52:44 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179310 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/07/4320713.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_4320713
loop_
_publ_author_name
'Ludmila Scoles'
'John H. Yamamoto'
'Luc Brissieux'
'Brian T. Sterenberg'
'Konstantin A. Udachin'
'Arthur J. Carty'
_publ_section_title
;
 Synthesis and Characterization of Mixed Ruthenium/Platinum
 μ4-Phosphinidene, Phosphorus Monoxide, and Related Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6731
_journal_page_last               6736
_journal_paper_doi               10.1021/ic0106423
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C34 H29 N O10 P2 Pt Ru3'
_chemical_formula_weight         1171.82
_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                 104.69
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   38.717(3)
_cell_length_b                   10.0918(8)
_cell_length_c                   20.7789(16)
_cell_measurement_temperature    173(2)
_cell_volume                     7853.4(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.473
_diffrn_measured_fraction_theta_max 0.473
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_av_sigmaI/netI    0.0372
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            45587
_diffrn_reflns_theta_full        28.69
_diffrn_reflns_theta_max         28.69
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    4.818
_exptl_crystal_density_diffrn    1.982
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4480
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.161
_refine_diff_density_min         -0.529
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         10183
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.346
_refine_ls_shift/su_mean         0.023
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0280P)²+6.2112P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0604
_refine_ls_wR_factor_ref         0.0670
_reflns_number_gt                7533
_reflns_number_total             10183
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0106423_2.cif
_cod_data_source_block           jhy50
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0280P)^2^+6.2112P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0280P)^2^+6.2112P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        7853.5(11)
_cod_database_code               4320713
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.098540(4) 0.337036(16) 0.120147(8) 0.04158(5) Uani 1 d . . .
Ru1 Ru 0.120278(9) 0.07514(3) 0.153372(17) 0.04304(8) Uani 1 d . . .
Ru2 Ru 0.168690(8) 0.31463(3) 0.197312(17) 0.04200(8) Uani 1 d . . .
Ru3 Ru 0.110227(8) 0.25425(3) 0.250710(17) 0.04052(8) Uani 1 d . . .
P1 P 0.16133(3) 0.12260(11) 0.24774(6) 0.0422(2) Uani 1 d . . .
P2 P 0.09523(3) 0.39273(11) 0.00891(6) 0.0426(2) Uani 1 d . . .
O10 O 0.09202(12) -0.1894(4) 0.1838(2) 0.0916(13) Uani 1 d . . .
O11 O 0.15924(14) -0.0418(5) 0.0572(3) 0.1137(17) Uani 1 d . . .
O12 O 0.04345(9) 0.0983(4) 0.0674(2) 0.0747(11) Uani 1 d . . .
O20 O 0.22091(10) 0.4573(4) 0.30773(19) 0.0832(12) Uani 1 d . . .
O21 O 0.22633(9) 0.2164(4) 0.1338(2) 0.0810(11) Uani 1 d . . .
O22 O 0.15232(10) 0.5931(4) 0.1372(2) 0.0866(13) Uani 1 d . . .
O30 O 0.12363(11) 0.1565(4) 0.39257(19) 0.0800(11) Uani 1 d . . .
O31 O 0.10680(13) 0.5472(4) 0.2856(2) 0.0974(14) Uani 1 d . . .
O32 O 0.03269(9) 0.1654(4) 0.2204(2) 0.0855(12) Uani 1 d . . .
O40 O 0.03508(11) 0.4965(5) 0.1331(2) 0.0989(15) Uani 1 d . . .
N1 N 0.18895(9) 0.0430(4) 0.30885(18) 0.0485(9) Uani 1 d . . .
C10 C 0.10385(13) -0.0909(5) 0.1734(2) 0.0572(12) Uani 1 d . . .
C11 C 0.14413(15) 0.0024(5) 0.0920(3) 0.0660(13) Uani 1 d . . .
C12 C 0.07245(14) 0.1139(5) 0.0961(3) 0.0580(12) Uani 1 d . . .
C20 C 0.20172(12) 0.4015(5) 0.2662(2) 0.0553(11) Uani 1 d . . .
C21 C 0.20418(12) 0.2594(5) 0.1556(2) 0.0534(11) Uani 1 d . . .
C22 C 0.15285(12) 0.4854(5) 0.1537(2) 0.0551(11) Uani 1 d . . .
C30 C 0.11915(12) 0.1939(5) 0.3399(3) 0.0550(12) Uani 1 d . . .
C31 C 0.10849(14) 0.4385(5) 0.2722(3) 0.0615(13) Uani 1 d . . .
C32 C 0.06162(12) 0.1993(5) 0.2304(2) 0.0565(12) Uani 1 d . . .
C40 C 0.05842(13) 0.4370(5) 0.1270(3) 0.0577(12) Uani 1 d . . .
C50 C 0.19182(13) -0.1035(5) 0.3135(3) 0.0622(13) Uani 1 d . . .
H50 H 0.2128 -0.1241 0.3515 0.075 Uiso 1 calc R . .
C51 C 0.15921(16) -0.1627(7) 0.3307(3) 0.097(2) Uani 1 d . . .
H51A H 0.1569 -0.1259 0.3730 0.116 Uiso 1 calc R . .
H51B H 0.1619 -0.2591 0.3346 0.116 Uiso 1 calc R . .
H51C H 0.1378 -0.1412 0.2955 0.116 Uiso 1 calc R . .
C52 C 0.19926(16) -0.1653(6) 0.2521(3) 0.091(2) Uani 1 d . . .
H52A H 0.1793 -0.1467 0.2134 0.109 Uiso 1 calc R . .
H52B H 0.2020 -0.2614 0.2583 0.109 Uiso 1 calc R . .
H52C H 0.2213 -0.1280 0.2447 0.109 Uiso 1 calc R . .
C53 C 0.21446(13) 0.1207(5) 0.3605(2) 0.0592(12) Uani 1 d . . .
H53 H 0.2069 0.2156 0.3544 0.071 Uiso 1 calc R . .
C54 C 0.25204(14) 0.1124(7) 0.3519(3) 0.0884(19) Uani 1 d . . .
H54A H 0.2606 0.0209 0.3590 0.106 Uiso 1 calc R . .
H54B H 0.2677 0.1705 0.3844 0.106 Uiso 1 calc R . .
H54C H 0.2521 0.1406 0.3068 0.106 Uiso 1 calc R . .
C55 C 0.21401(15) 0.0814(6) 0.4309(3) 0.0815(17) Uiso 1 d . . .
H55A H 0.1895 0.0863 0.4357 0.098 Uiso 1 calc R . .
H55B H 0.2293 0.1420 0.4626 0.098 Uiso 1 calc R . .
H55C H 0.2230 -0.0093 0.4397 0.098 Uiso 1 calc R . .
C60 C 0.14776(14) 0.5223(6) -0.0396(3) 0.0703(15) Uani 1 d . . .
H60 H 0.1318 0.5954 -0.0478 0.084 Uiso 1 calc R . .
C61 C 0.13817(11) 0.4090(5) -0.0120(2) 0.0469(10) Uani 1 d . . .
C62 C 0.18033(16) 0.5320(7) -0.0558(3) 0.089(2) Uani 1 d . . .
H62 H 0.1865 0.6112 -0.0750 0.106 Uiso 1 calc R . .
C63 C 0.20343(14) 0.4276(7) -0.0440(3) 0.0775(18) Uani 1 d . . .
H63 H 0.2256 0.4338 -0.0554 0.093 Uiso 1 calc R . .
C64 C 0.19486(13) 0.3149(6) -0.0160(3) 0.0672(14) Uani 1 d . . .
H64 H 0.2111 0.2426 -0.0075 0.081 Uiso 1 calc R . .
C65 C 0.16218(12) 0.3055(5) 0.0002(2) 0.0570(12) Uani 1 d . . .
H65 H 0.1563 0.2265 0.0199 0.068 Uiso 1 calc R . .
C66 C 0.07335(11) 0.5510(4) -0.0186(2) 0.0497(11) Uani 1 d . . .
C67 C 0.05534(13) 0.5717(5) -0.0845(3) 0.0658(14) Uani 1 d . . .
H67 H 0.0536 0.5016 -0.1156 0.079 Uiso 1 calc R . .
C68 C 0.03985(14) 0.6921(6) -0.1055(3) 0.0782(18) Uani 1 d . . .
H68 H 0.0275 0.7049 -0.1508 0.094 Uiso 1 calc R . .
C69 C 0.04234(15) 0.7939(6) -0.0605(4) 0.0802(18) Uani 1 d . . .
H69 H 0.0314 0.8768 -0.0745 0.096 Uiso 1 calc R . .
C70 C 0.07592(14) 0.6548(5) 0.0252(3) 0.0628(13) Uani 1 d . . .
H70 H 0.0884 0.6434 0.0705 0.075 Uiso 1 calc R . .
C71 C 0.06038(16) 0.7758(5) 0.0037(3) 0.0779(16) Uani 1 d . . .
H71 H 0.0624 0.8470 0.0344 0.094 Uiso 1 calc R . .
C72 C 0.06893(11) 0.2791(4) -0.0530(2) 0.0481(10) Uani 1 d . . .
C73 C 0.08197(15) 0.2143(6) -0.0993(3) 0.0714(15) Uani 1 d . . .
H73 H 0.1065 0.2237 -0.0986 0.086 Uiso 1 calc R . .
C74 C 0.02489(17) 0.1227(6) -0.1493(3) 0.0821(18) Uani 1 d . . .
H74 H 0.0099 0.0688 -0.1823 0.099 Uiso 1 calc R . .
C75 C 0.06027(18) 0.1350(7) -0.1474(3) 0.093(2) Uani 1 d . . .
H75 H 0.0699 0.0894 -0.1789 0.111 Uiso 1 calc R . .
C76 C 0.01107(15) 0.1878(6) -0.1038(3) 0.0767(17) Uani 1 d . . .
H76 H -0.0136 0.1802 -0.1056 0.092 Uiso 1 calc R . .
C77 C 0.03291(12) 0.2643(6) -0.0554(3) 0.0640(13) Uani 1 d . . .
H77 H 0.0233 0.3077 -0.0233 0.077 Uiso 1 calc R . .
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'
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'
Ru Ru -1.2594 0.8363 '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'
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
C40 Pt P2 96.09(15) . . ?
C40 Pt C12 101.6(2) . . ?
P2 Pt C12 95.83(12) . . ?
C40 Pt C22 107.8(2) . . ?
P2 Pt C22 87.93(12) . . ?
C12 Pt C22 149.86(16) . . ?
C40 Pt Ru3 91.15(15) . . ?
P2 Pt Ru3 172.75(3) . . ?
C12 Pt Ru3 83.09(12) . . ?
C22 Pt Ru3 89.46(11) . . ?
C40 Pt Ru2 134.36(16) . . ?
P2 Pt Ru2 112.75(3) . . ?
C12 Pt Ru2 109.34(12) . . ?
C22 Pt Ru2 43.13(11) . . ?
Ru3 Pt Ru2 61.212(10) . . ?
C40 Pt Ru1 133.30(15) . . ?
P2 Pt Ru1 113.91(3) . . ?
C12 Pt Ru1 43.27(11) . . ?
C22 Pt Ru1 108.24(11) . . ?
Ru3 Pt Ru1 60.637(11) . . ?
Ru2 Pt Ru1 66.107(10) . . ?
C10 Ru1 C11 93.1(2) . . ?
C10 Ru1 C12 89.53(19) . . ?
C11 Ru1 C12 102.3(2) . . ?
C10 Ru1 P1 101.65(14) . . ?
C11 Ru1 P1 108.18(17) . . ?
C12 Ru1 P1 146.71(16) . . ?
C10 Ru1 Pt 142.97(15) . . ?
C11 Ru1 Pt 111.40(16) . . ?
C12 Ru1 Pt 59.14(14) . . ?
P1 Ru1 Pt 96.65(3) . . ?
C10 Ru1 Ru3 107.33(16) . . ?
C11 Ru1 Ru3 155.48(16) . . ?
C12 Ru1 Ru3 91.53(16) . . ?
P1 Ru1 Ru3 55.25(3) . . ?
Pt Ru1 Ru3 58.937(11) . . ?
C10 Ru1 Ru2 149.06(14) . . ?
C11 Ru1 Ru2 98.07(16) . . ?
C12 Ru1 Ru2 115.80(14) . . ?
P1 Ru1 Ru2 47.43(3) . . ?
Pt Ru1 Ru2 56.705(10) . . ?
Ru3 Ru1 Ru2 57.486(12) . . ?
C20 Ru2 C21 93.1(2) . . ?
C20 Ru2 C22 90.8(2) . . ?
C21 Ru2 C22 103.0(2) . . ?
C20 Ru2 P1 100.89(15) . . ?
C21 Ru2 P1 98.75(16) . . ?
C22 Ru2 P1 154.64(14) . . ?
C20 Ru2 Pt 140.87(15) . . ?
C21 Ru2 Pt 118.44(14) . . ?
C22 Ru2 Pt 61.39(13) . . ?
P1 Ru2 Pt 96.74(3) . . ?
C20 Ru2 Ru3 105.06(14) . . ?
C21 Ru2 Ru3 149.96(15) . . ?
C22 Ru2 Ru3 100.48(14) . . ?
P1 Ru2 Ru3 54.88(3) . . ?
Pt Ru2 Ru3 58.924(11) . . ?
C20 Ru2 Ru1 147.73(15) . . ?
C21 Ru2 Ru1 95.28(15) . . ?
C22 Ru2 Ru1 117.32(13) . . ?
P1 Ru2 Ru1 47.03(3) . . ?
Pt Ru2 Ru1 57.188(10) . . ?
Ru3 Ru2 Ru1 56.977(12) . . ?
C30 Ru3 C32 92.7(2) . . ?
C30 Ru3 C31 95.3(2) . . ?
C32 Ru3 C31 104.1(2) . . ?
C30 Ru3 P1 84.28(14) . . ?
C32 Ru3 P1 127.52(16) . . ?
C31 Ru3 P1 128.42(16) . . ?
C30 Ru3 Pt 178.43(14) . . ?
C32 Ru3 Pt 87.94(15) . . ?
C31 Ru3 Pt 85.93(16) . . ?
P1 Ru3 Pt 94.18(3) . . ?
C30 Ru3 Ru1 118.17(15) . . ?
C32 Ru3 Ru1 87.87(15) . . ?
C31 Ru3 Ru1 144.13(16) . . ?
P1 Ru3 Ru1 50.18(3) . . ?
Pt Ru3 Ru1 60.426(11) . . ?
C30 Ru3 Ru2 119.13(14) . . ?
C32 Ru3 Ru2 145.12(15) . . ?
C31 Ru3 Ru2 87.79(16) . . ?
P1 Ru3 Ru2 50.31(3) . . ?
Pt Ru3 Ru2 59.864(10) . . ?
Ru1 Ru3 Ru2 65.537(12) . . ?
N1 P1 Ru1 138.45(14) . . ?
N1 P1 Ru2 130.05(14) . . ?
Ru1 P1 Ru2 85.54(4) . . ?
N1 P1 Ru3 128.99(14) . . ?
Ru1 P1 Ru3 74.57(3) . . ?
Ru2 P1 Ru3 74.81(3) . . ?
C72 P2 C61 105.5(2) . . ?
C72 P2 C66 101.3(2) . . ?
C61 P2 C66 102.9(2) . . ?
C72 P2 Pt 115.07(15) . . ?
C61 P2 Pt 115.41(14) . . ?
C66 P2 Pt 114.94(16) . . ?
C53 N1 C50 117.0(4) . . ?
C53 N1 P1 118.9(3) . . ?
C50 N1 P1 124.0(3) . . ?
O10 C10 Ru1 176.2(5) . . ?
O11 C11 Ru1 177.8(6) . . ?
O12 C12 Ru1 159.8(4) . . ?
O12 C12 Pt 122.0(4) . . ?
Ru1 C12 Pt 77.58(16) . . ?
O20 C20 Ru2 177.7(5) . . ?
O21 C21 Ru2 174.0(5) . . ?
O22 C22 Ru2 162.4(4) . . ?
O22 C22 Pt 122.1(4) . . ?
Ru2 C22 Pt 75.48(15) . . ?
O30 C30 Ru3 178.2(5) . . ?
O31 C31 Ru3 178.4(5) . . ?
O32 C32 Ru3 177.8(4) . . ?
O40 C40 Pt 177.9(5) . . ?
N1 C50 C52 112.5(4) . . ?
N1 C50 C51 110.7(4) . . ?
C52 C50 C51 112.6(5) . . ?
N1 C53 C54 111.7(4) . . ?
N1 C53 C55 113.0(4) . . ?
C54 C53 C55 110.2(4) . . ?
C61 C60 C62 121.3(5) . . ?
C60 C61 C65 117.9(4) . . ?
C60 C61 P2 122.2(4) . . ?
C65 C61 P2 119.9(4) . . ?
C63 C62 C60 119.8(6) . . ?
C64 C63 C62 120.3(5) . . ?
C63 C64 C65 119.8(5) . . ?
C61 C65 C64 121.0(5) . . ?
C70 C66 C67 118.2(4) . . ?
C70 C66 P2 120.5(4) . . ?
C67 C66 P2 121.2(4) . . ?
C68 C67 C66 121.1(6) . . ?
C67 C68 C69 119.5(6) . . ?
C71 C69 C68 120.0(5) . . ?
C66 C70 C71 120.4(5) . . ?
C69 C71 C70 120.7(6) . . ?
C73 C72 C77 118.1(4) . . ?
C73 C72 P2 123.9(4) . . ?
C77 C72 P2 117.9(4) . . ?
C72 C73 C75 121.4(5) . . ?
C75 C74 C76 120.2(5) . . ?
C74 C75 C73 119.5(6) . . ?
C74 C76 C77 120.0(5) . . ?
C76 C77 C72 120.8(5) . . ?
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
Pt C40 1.888(5) . ?
Pt P2 2.3505(11) . ?
Pt C12 2.467(5) . ?
Pt C22 2.531(5) . ?
Pt Ru3 2.7641(4) . ?
Pt Ru2 2.7911(4) . ?
Pt Ru1 2.8064(4) . ?
Ru1 C10 1.876(5) . ?
Ru1 C11 1.901(5) . ?
Ru1 C12 1.970(5) . ?
Ru1 P1 2.2406(12) . ?
Ru1 Ru3 2.8123(5) . ?
Ru1 Ru2 3.0530(5) . ?
Ru2 C20 1.877(5) . ?
Ru2 C21 1.886(5) . ?
Ru2 C22 1.971(5) . ?
Ru2 P1 2.2552(12) . ?
Ru2 Ru3 2.8284(5) . ?
Ru3 C30 1.898(5) . ?
Ru3 C32 1.904(5) . ?
Ru3 C31 1.918(5) . ?
Ru3 P1 2.3971(11) . ?
P1 N1 1.647(4) . ?
P2 C72 1.828(5) . ?
P2 C61 1.830(4) . ?
P2 C66 1.831(4) . ?
O10 C10 1.138(5) . ?
O11 C11 1.131(6) . ?
O12 C12 1.141(5) . ?
O20 C20 1.136(5) . ?
O21 C21 1.151(5) . ?
O22 C22 1.138(6) . ?
O30 C30 1.128(6) . ?
O31 C31 1.137(6) . ?
O32 C32 1.139(5) . ?
O40 C40 1.118(5) . ?
N1 C53 1.484(6) . ?
N1 C50 1.485(6) . ?
C50 C52 1.512(8) . ?
C50 C51 1.519(7) . ?
C53 C54 1.512(7) . ?
C53 C55 1.520(7) . ?
C60 C61 1.371(7) . ?
C60 C62 1.388(7) . ?
C61 C65 1.379(6) . ?
C62 C63 1.364(8) . ?
C63 C64 1.356(8) . ?
C64 C65 1.392(7) . ?
C66 C70 1.375(7) . ?
C66 C67 1.385(6) . ?
C67 C68 1.376(7) . ?
C68 C69 1.376(9) . ?
C69 C71 1.352(8) . ?
C70 C71 1.385(7) . ?
C72 C73 1.361(7) . ?
C72 C77 1.391(6) . ?
C73 C75 1.386(7) . ?
C74 C75 1.366(8) . ?
C74 C76 1.367(8) . ?
C76 C77 1.374(7) . ?
