#------------------------------------------------------------------------------
#$Date: 2018-09-15 02:37:29 +0300 (Sat, 15 Sep 2018) $
#$Revision: 210967 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/13/7051326.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_7051326
loop_
_publ_author_name
'Yandulov, Dmitry V.'
'Huffman, John C.'
'Caulton, Kenneth G.'
_publ_section_title
;
 An osmium hydrido methyl species via an unconventional methyl transfer
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   9
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              649
_journal_page_last               650
_journal_paper_doi               10.1039/b004484i
_journal_volume                  24
_journal_year                    2000
_chemical_formula_sum            'C26 H58 N2 O Os P2'
_chemical_formula_weight         666.937
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_creation_method
'minor manual editing of SDT2CIF v. 1.2 BETA  output'
_cell_angle_alpha                103.6978
_cell_angle_beta                 99.4508(12)
_cell_angle_gamma                98.8901(12)
_cell_formula_units_Z            2
_cell_length_a                   8.8330(2)
_cell_length_b                   11.5202(3)
_cell_length_c                   16.0550(4)
_cell_measurement_temperature    113.
_cell_volume                     1533.49(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'XTEL, local package'
_computing_publication_material  'XTEL, local package'
_computing_structure_refinement  'XTEL, local package'
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      113.
_diffrn_measured_fraction_theta_full 0
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            42598
_diffrn_reflns_theta_full        0
_diffrn_reflns_theta_max         32.5295
_diffrn_reflns_theta_min         2.38659
_exptl_absorpt_coefficient_mu    4.2786
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             684
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .30
_exptl_crystal_size_min          .25
_refine_diff_density_max         2.43
_refine_diff_density_min         -0.75
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       0.000000154(14)
_refine_ls_extinction_expression
;
Larson, A. C. (1967).  Acta Cryst. 23, p. 664.  Eq. (3)
;
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_ref   0.5487
_refine_ls_matrix_type           full
_refine_ls_number_parameters     522
_refine_ls_number_reflns         98990
_refine_ls_R_factor_gt           0.0159
_refine_ls_shift/su_max          0.0048
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w⁻¹=σ²(F)+(.07F)²
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0134
_reflns_number_gt                9900
_reflns_number_total             11137
_reflns_threshold_expression     F²>2.33σ(F²)
_cod_depositor_comments
;
 Adding additional data from the original supplementary material.

 Antanas Vaitkus,
 2018-09-15
;
_cod_original_formula_sum        'C26 H58 N2 O1 Os1 P2'
_cod_database_code               7051326
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -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_disorder_group
_atom_site_disorder_assembly
OS1 OS -0.346138(8) 0.024382(6) -0.218543(4) 0.01163(2) Uani 1 0 .
N2 N -0.15541(19) -0.00834(15) -0.20111(10) 0.0167(5) Uani 1 0 .
O3 O -0.02978(17) -0.03481(15) -0.18847(10) 0.0252(6) Uani 1 0 .
C4 C -0.3409(2) 0.13632(18) -0.31503(13) 0.0169(6) Uani 1 0 .
C5 C -0.1865(2) 0.20891(18) -0.31730(12) 0.0173(6) Uani 1 0 .
C6 C -0.0646(3) 0.1368(2) -0.34525(16) 0.0241(7) Uani 1 0 .
C7 C 0.0595(3) 0.2105(2) -0.37710(19) 0.0352(10) Uani 1 0 .
C8 C 0.1129(3) 0.3353(2) -0.3141(2) 0.0381(10) Uani 1 0 .
C9 C -0.0213(2) 0.4018(2) -0.30639(15) 0.0267(7) Uani 1 0 .
N10 N -0.16740(19) 0.32527(16) -0.29913(11) 0.0209(6) Uani 1 0 .
C11 C -0.0658(3) 0.4518(3) -0.38517(18) 0.0388(10) Uani 1 0 .
C12 C 0.0250(4) 0.5104(2) -0.2240(2) 0.0423(10) Uani 1 0 .
P13 P -0.32239(6) 0.19770(4) -0.09974(3) 0.01401(15) Uani 1 0 .
C14 C -0.1240(2) 0.24308(19) -0.02811(13) 0.0193(6) Uani 1 0 .
C15 C -0.0849(3) 0.1476(2) 0.01936(16) 0.0277(8) Uani 1 0 .
C16 C -0.0004(3) 0.2722(2) -0.08070(16) 0.0253(7) Uani 1 0 .
C17 C -0.3512(2) 0.33954(18) -0.13010(13) 0.0173(6) Uani 1 0 .
C18 C -0.2788(3) 0.4605(2) -0.06125(16) 0.0257(8) Uani 1 0 .
C19 C -0.5229(3) 0.3362(2) -0.16813(16) 0.0243(8) Uani 1 0 .
C20 C -0.4499(3) 0.1691(2) -0.02225(13) 0.0210(7) Uani 1 0 .
C21 C -0.6229(3) 0.1196(2) -0.06326(17) 0.0289(9) Uani 1 0 .
C22 C -0.4323(4) 0.2764(3) 0.05821(17) 0.0351(10) Uani 1 0 .
P23 P -0.47070(6) -0.15650(4) -0.32961(3) 0.01393(15) Uani 1 0 .
C24 C -0.3873(2) -0.18078(19) -0.43023(13) 0.0191(6) Uani 1 0 .
C25 C -0.2241(3) -0.2093(2) -0.41188(16) 0.0263(8) Uani 1 0 .
C26 C -0.4865(3) -0.2706(2) -0.51455(15) 0.0273(8) Uani 1 0 .
C27 C -0.4718(3) -0.29465(18) -0.28861(13) 0.0202(7) Uani 1 0 .
C28 C -0.5364(3) -0.4168(2) -0.35730(17) 0.0332(9) Uani 1 0 .
C29 C -0.3153(3) -0.2974(2) -0.23289(16) 0.0259(8) Uani 1 0 .
C30 C -0.6817(2) -0.1677(2) -0.37255(14) 0.0227(7) Uani 1 0 .
C31 C -0.7071(3) -0.0638(2) -0.41419(17) 0.0303(9) Uani 1 0 .
C32 C -0.7808(3) -0.1717(3) -0.30355(19) 0.0338(9) Uani 1 0 .
H1 H -0.521(3) 0.047(2) -0.2286(14) 0.024(6) Uiso 1 0 .
H2 H -0.434(3) -0.048(2) -0.1555(16) 0.045(8) Uiso 1 0 .
H3 H -0.383(2) 0.0797(19) -0.3751(14) 0.018(6) Uiso 1 0 .
H4 H -0.417(2) 0.192(2) -0.3085(14) 0.018(6) Uiso 1 0 .
H5 H -0.012(3) 0.111(2) -0.2970(17) 0.040(8) Uiso 1 0 .
H6 H -0.118(3) 0.063(2) -0.3890(16) 0.032(7) Uiso 1 0 .
H7 H 0.145(3) 0.171(2) -0.3817(16) 0.036(7) Uiso 1 0 .
H8 H 0.017(3) 0.220(2) -0.4362(17) 0.043(8) Uiso 1 0 .
H9 H 0.153(3) 0.330(2) -0.2567(18) 0.044(8) Uiso 1 0 .
H10 H 0.196(3) 0.382(3) -0.3343(18) 0.054(9) Uiso 1 0 .
H11 H 0.022(3) 0.511(3) -0.3919(17) 0.047(8) Uiso 1 0 .
H12 H -0.091(3) 0.384(2) -0.4410(16) 0.031(7) Uiso 1 0 .
H13 H -0.157(3) 0.493(3) -0.3820(18) 0.050(9) Uiso 1 0 .
H14 H 0.054(3) 0.486(3) -0.1724(18) 0.048(9) Uiso 1 0 .
H15 H 0.117(3) 0.561(3) -0.2306(18) 0.051(9) Uiso 1 0 .
H16 H -0.063(3) 0.553(3) -0.2159(18) 0.050(9) Uiso 1 0 .
H17 H -0.125(3) 0.315(2) 0.0131(14) 0.019(6) Uiso 1 0 .
H18 H -0.151(3) 0.139(2) 0.0619(16) 0.029(7) Uiso 1 0 .
H19 H -0.100(3) 0.066(2) -0.0203(16) 0.038(8) Uiso 1 0 .
H20 H 0.021(3) 0.173(2) 0.0515(16) 0.038(7) Uiso 1 0 .
H21 H 0.010(3) 0.201(2) -0.1210(15) 0.026(7) Uiso 1 0 .
H22 H -0.026(3) 0.331(2) -0.1123(17) 0.041(8) Uiso 1 0 .
H23 H 0.100(3) 0.307(2) -0.0413(16) 0.037(7) Uiso 1 0 .
H24 H -0.298(2) 0.3369(19) -0.1770(14) 0.017(6) Uiso 1 0 .
H25 H -0.160(3) 0.470(2) -0.0408(16) 0.036(7) Uiso 1 0 .
H26 H -0.295(3) 0.525(2) -0.0854(16) 0.033(7) Uiso 1 0 .
H27 H -0.328(3) 0.471(2) -0.0101(17) 0.036(7) Uiso 1 0 .
H28 H -0.579(3) 0.355(2) -0.1229(15) 0.026(6) Uiso 1 0 .
H29 H -0.528(3) 0.397(2) -0.1987(16) 0.033(7) Uiso 1 0 .
H30 H -0.581(2) 0.256(2) -0.2091(14) 0.019(6) Uiso 1 0 .
H31 H -0.411(2) 0.1070(19) -0.0041(13) 0.015(6) Uiso 1 0 .
H32 H -0.671(3) 0.177(2) -0.0856(15) 0.030(7) Uiso 1 0 .
H33 H -0.639(3) 0.051(2) -0.1110(17) 0.037(8) Uiso 1 0 .
H34 H -0.673(3) 0.102(2) -0.0186(17) 0.040(8) Uiso 1 0 .
H35 H -0.330(4) 0.307(3) 0.0872(19) 0.052(9) Uiso 1 0 .
H36 H -0.481(3) 0.342(3) 0.0428(17) 0.045(8) Uiso 1 0 .
H37 H -0.491(4) 0.243(3) 0.096(2) 0.061(10) Uiso 1 0 .
H38 H -0.376(3) -0.106(2) -0.4416(14) 0.022(6) Uiso 1 0 .
H39 H -0.226(3) -0.291(2) -0.4072(15) 0.030(7) Uiso 1 0 .
H40 H -0.166(3) -0.195(2) -0.4563(17) 0.035(7) Uiso 1 0 .
H41 H -0.159(3) -0.158(2) -0.3595(17) 0.037(8) Uiso 1 0 .
H42 H -0.586(3) -0.255(2) -0.5332(16) 0.034(7) Uiso 1 0 .
H43 H -0.429(3) -0.270(2) -0.5631(17) 0.043(8) Uiso 1 0 .
H44 H -0.504(3) -0.351(2) -0.5091(15) 0.032(7) Uiso 1 0 .
H45 H -0.542(3) -0.280(2) -0.2508(14) 0.020(6) Uiso 1 0 .
H46 H -0.639(3) -0.419(2) -0.3958(17) 0.038(8) Uiso 1 0 .
H47 H -0.469(3) -0.439(2) -0.3946(18) 0.043(8) Uiso 1 0 .
H48 H -0.555(3) -0.482(2) -0.3270(17) 0.041(8) Uiso 1 0 .
H49 H -0.325(3) -0.365(2) -0.2068(17) 0.041(8) Uiso 1 0 .
H50 H -0.236(3) -0.302(2) -0.2660(16) 0.033(7) Uiso 1 0 .
H51 H -0.278(3) -0.225(2) -0.1807(16) 0.030(7) Uiso 1 0 .
H52 H -0.716(3) -0.244(2) -0.4167(14) 0.022(6) Uiso 1 0 .
H53 H -0.673(3) 0.017(2) -0.3688(16) 0.034(7) Uiso 1 0 .
H54 H -0.650(3) -0.061(2) -0.4631(17) 0.042(8) Uiso 1 0 .
H55 H -0.818(3) -0.071(2) -0.4369(17) 0.043(8) Uiso 1 0 .
H56 H -0.749(3) -0.091(2) -0.2539(16) 0.036(7) Uiso 1 0 .
H57 H -0.883(3) -0.178(2) -0.3287(17) 0.045(8) Uiso 1 0 .
H58 H -0.776(4) -0.236(3) -0.278(2) 0.064(10) Uiso 1 0 .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
OS Os -1.816 7.605 'International Tables Vol. IV (1974) Table 2.2B'
P P 0.09 0.095 'International Tables Vol. IV (1974) Table 2.2B'
O O 0.008 0.006 'International Tables Vol. IV (1974) Table 2.2B'
N N 0.004 0.003 'International Tables Vol. IV (1974) Table 2.2B'
C C 0.002 0.002 'International Tables Vol. IV (1974) Table 2.2B'
H H 0 0 'International Tables Vol. IV (1974) Table 2.2B'
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P13 OS1 P23 157.782(17) . . . no
P13 OS1 N2 101.98(5) . . . no
P13 OS1 C4 92.57(5) . . . no
P13 OS1 H1 77.6(8) . . . no
P13 OS1 H2 83.2(9) . . . no
P23 OS1 N2 97.73(5) . . . no
P23 OS1 C4 92.46(5) . . . no
P23 OS1 H1 81.9(8) . . . no
P23 OS1 H2 82.7(9) . . . no
N2 OS1 C4 104.15(7) . . . no
N2 OS1 H1 175.2(8) . . . no
N2 OS1 H2 102.3(9) . . . no
C4 OS1 H1 80.7(8) . . . no
C4 OS1 H2 153.5(9) . . . no
H1 OS1 H2 72.9(11) . . . no
OS1 P13 C14 112.50(7) . . . no
OS1 P13 C17 115.57(6) . . . no
OS1 P13 C20 112.79(7) . . . no
C14 P13 C17 102.95(9) . . . no
C14 P13 C20 102.45(10) . . . no
C17 P13 C20 109.39(9) . . . no
OS1 P23 C24 114.78(7) . . . no
OS1 P23 C27 111.96(7) . . . no
OS1 P23 C30 115.09(7) . . . no
C24 P23 C27 108.37(9) . . . no
C24 P23 C30 103.32(10) . . . no
C27 P23 C30 102.22(10) . . . no
OS1 N2 O3 177.15(15) . . . no
C5 N10 C9 121.53(18) . . . no
OS1 C4 C5 118.25(13) . . . no
OS1 C4 H3 107.7(12) . . . no
OS1 C4 H4 110.6(12) . . . no
C5 C4 H3 107.0(12) . . . no
C5 C4 H4 108.9(12) . . . no
H3 C4 H4 103.4(16) . . . no
N10 C5 C4 118.93(18) . . . no
N10 C5 C6 124.53(18) . . . no
C4 C5 C6 116.49(17) . . . no
C5 C6 C7 112.10(19) . . . no
C5 C6 H5 111.0(15) . . . no
C5 C6 H6 108.1(14) . . . no
C7 C6 H5 107.3(15) . . . no
C7 C6 H6 112.3(14) . . . no
H5 C6 H6 106(2) . . . no
C6 C7 C8 109.1(2) . . . no
C6 C7 H7 110.3(16) . . . no
C6 C7 H8 111.1(15) . . . no
C8 C7 H7 110.3(16) . . . no
C8 C7 H8 108.0(15) . . . no
H7 C7 H8 108(2) . . . no
C7 C8 C9 111.6(2) . . . no
C7 C8 H9 110.5(17) . . . no
C7 C8 H10 108.8(17) . . . no
C9 C8 H9 106.1(17) . . . no
C9 C8 H10 110.3(16) . . . no
H9 C8 H10 110(2) . . . no
N10 C9 C8 113.99(18) . . . no
N10 C9 C11 106.06(17) . . . no
N10 C9 C12 106.75(19) . . . no
C8 C9 C11 112.3(2) . . . no
C8 C9 C12 109.8(2) . . . no
C11 C9 C12 107.6(2) . . . no
C9 C11 H11 112.1(16) . . . no
C9 C11 H12 110.3(14) . . . no
C9 C11 H13 113.0(16) . . . no
H11 C11 H12 105(2) . . . no
H11 C11 H13 108(2) . . . no
H12 C11 H13 109(2) . . . no
C9 C12 H14 111.9(17) . . . no
C9 C12 H15 106.0(17) . . . no
C9 C12 H16 111.4(16) . . . no
H14 C12 H15 106(2) . . . no
H14 C12 H16 107(2) . . . no
H15 C12 H16 114(2) . . . no
P13 C14 C15 112.77(15) . . . no
P13 C14 C16 110.39(14) . . . no
P13 C14 H17 105.6(13) . . . no
C15 C14 C16 110.95(19) . . . no
C15 C14 H17 109.0(13) . . . no
C16 C14 H17 107.8(14) . . . no
C14 C15 H18 111.9(14) . . . no
C14 C15 H19 113.2(15) . . . no
C14 C15 H20 109.1(15) . . . no
H18 C15 H19 106(2) . . . no
H18 C15 H20 107(2) . . . no
H19 C15 H20 110(2) . . . no
C14 C16 H21 111.3(14) . . . no
C14 C16 H22 111.4(16) . . . no
C14 C16 H23 109.5(15) . . . no
H21 C16 H22 109(2) . . . no
H21 C16 H23 108(2) . . . no
H22 C16 H23 108(2) . . . no
P13 C17 C18 117.30(14) . . . no
P13 C17 C19 112.51(15) . . . no
P13 C17 H24 102.2(13) . . . no
C18 C17 C19 110.46(18) . . . no
C18 C17 H24 107.0(13) . . . no
C19 C17 H24 106.3(13) . . . no
C17 C18 H25 112.2(14) . . . no
C17 C18 H26 109.3(15) . . . no
C17 C18 H27 112.4(15) . . . no
H25 C18 H26 107(2) . . . no
H25 C18 H27 109.5(19) . . . no
H26 C18 H27 106(2) . . . no
C17 C19 H28 111.0(14) . . . no
C17 C19 H29 109.2(15) . . . no
C17 C19 H30 114.7(12) . . . no
H28 C19 H29 107(2) . . . no
H28 C19 H30 106.8(18) . . . no
H29 C19 H30 108.2(18) . . . no
P13 C20 C21 115.49(15) . . . no
P13 C20 C22 114.74(17) . . . no
P13 C20 H31 101.0(13) . . . no
C21 C20 C22 109.5(2) . . . no
C21 C20 H31 106.8(13) . . . no
C22 C20 H31 108.5(13) . . . no
C20 C21 H32 112.6(15) . . . no
C20 C21 H33 112.5(16) . . . no
C20 C21 H34 107.4(16) . . . no
H32 C21 H33 105(2) . . . no
H32 C21 H34 108(2) . . . no
H33 C21 H34 111(2) . . . no
C20 C22 H35 112.8(19) . . . no
C20 C22 H36 111.5(16) . . . no
C20 C22 H37 104.3(18) . . . no
H35 C22 H36 110(2) . . . no
H35 C22 H37 110(2) . . . no
H36 C22 H37 108(2) . . . no
P23 C24 C25 111.00(14) . . . no
P23 C24 C26 118.43(16) . . . no
P23 C24 H38 103.5(14) . . . no
C25 C24 C26 110.24(19) . . . no
C25 C24 H38 107.4(14) . . . no
C26 C24 H38 105.4(14) . . . no
C24 C25 H39 113.1(15) . . . no
C24 C25 H40 111.1(15) . . . no
C24 C25 H41 113.9(16) . . . no
H39 C25 H40 110(2) . . . no
H39 C25 H41 105(2) . . . no
H40 C25 H41 103(2) . . . no
C24 C26 H42 115.5(15) . . . no
C24 C26 H43 109.1(15) . . . no
C24 C26 H44 111.5(15) . . . no
H42 C26 H43 107(2) . . . no
H42 C26 H44 106(2) . . . no
H43 C26 H44 107(2) . . . no
P23 C27 C28 115.89(16) . . . no
P23 C27 C29 114.08(15) . . . no
P23 C27 H45 98.6(13) . . . no
C28 C27 C29 110.30(19) . . . no
C28 C27 H45 109.4(13) . . . no
C29 C27 H45 107.6(13) . . . no
C27 C28 H46 112.9(15) . . . no
C27 C28 H47 113.9(17) . . . no
C27 C28 H48 108.9(15) . . . no
H46 C28 H47 107(2) . . . no
H46 C28 H48 107(2) . . . no
H47 C28 H48 107(2) . . . no
C27 C29 H49 110.9(16) . . . no
C27 C29 H50 111.6(15) . . . no
C27 C29 H51 113.1(14) . . . no
H49 C29 H50 110(2) . . . no
H49 C29 H51 102.8(19) . . . no
H50 C29 H51 108(2) . . . no
P23 C30 C31 110.90(16) . . . no
P23 C30 C32 113.11(16) . . . no
P23 C30 H52 106.3(13) . . . no
C31 C30 C32 110.5(2) . . . no
C31 C30 H52 109.2(13) . . . no
C32 C30 H52 106.6(13) . . . no
C30 C31 H53 110.3(14) . . . no
C30 C31 H54 113.8(15) . . . no
C30 C31 H55 110.3(16) . . . no
H53 C31 H54 108(2) . . . no
H53 C31 H55 105(2) . . . no
H54 C31 H55 108(2) . . . no
C30 C32 H56 110.5(14) . . . no
C30 C32 H57 109.0(17) . . . no
C30 C32 H58 115(2) . . . no
H56 C32 H57 107(2) . . . no
H56 C32 H58 108(2) . . . no
H57 C32 H58 107(2) . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
OS1 P13 2.3673(5) . . no
OS1 P23 2.3706(5) . . no
OS1 N2 1.7748(16) . . no
OS1 C4 2.2396(19) . . no
OS1 H1 1.60(2) . . no
OS1 H2 1.67(3) . . no
P13 C14 1.854(2) . . no
P13 C17 1.854(2) . . no
P13 C20 1.861(2) . . no
P23 C24 1.863(2) . . no
P23 C27 1.860(2) . . no
P23 C30 1.852(2) . . no
O3 N2 1.194(2) . . no
N10 C5 1.280(2) . . no
N10 C9 1.484(3) . . no
C4 C5 1.496(3) . . no
C4 H3 1.00(2) . . no
C4 H4 1.00(2) . . no
C5 C6 1.520(3) . . no
C6 C7 1.512(3) . . no
C6 H5 0.97(3) . . no
C6 H6 0.96(2) . . no
C7 C8 1.503(4) . . no
C7 H7 0.94(3) . . no
C7 H8 1.00(3) . . no
C8 C9 1.514(3) . . no
C8 H9 0.95(3) . . no
C8 H10 0.99(3) . . no
C9 C11 1.529(3) . . no
C9 C12 1.536(4) . . no
C11 H11 0.98(3) . . no
C11 H12 1.00(2) . . no
C11 H13 1.00(3) . . no
C12 H14 0.95(3) . . no
C12 H15 0.96(3) . . no
C12 H16 0.99(3) . . no
C14 C15 1.529(3) . . no
C14 C16 1.530(3) . . no
C14 H17 0.93(2) . . no
C15 H18 0.98(2) . . no
C15 H19 0.98(3) . . no
C15 H20 0.96(3) . . no
C16 H21 0.94(2) . . no
C16 H22 0.97(3) . . no
C16 H23 0.96(3) . . no
C17 C18 1.528(3) . . no
C17 C19 1.531(3) . . no
C17 H24 0.95(2) . . no
C18 H25 1.03(2) . . no
C18 H26 0.93(2) . . no
C18 H27 0.98(3) . . no
C19 H28 0.95(2) . . no
C19 H29 0.95(2) . . no
C19 H30 1.00(2) . . no
C20 C21 1.522(3) . . no
C20 C22 1.530(3) . . no
C20 H31 0.92(2) . . no
C21 H32 0.95(2) . . no
C21 H33 0.94(3) . . no
C21 H34 0.95(3) . . no
C22 H35 0.92(3) . . no
C22 H36 0.98(3) . . no
C22 H37 0.97(3) . . no
C24 C25 1.524(3) . . no
C24 C26 1.529(3) . . no
C24 H38 0.92(2) . . no
C25 H39 0.96(2) . . no
C25 H40 0.97(3) . . no
C25 H41 0.94(3) . . no
C26 H42 0.94(3) . . no
C26 H43 1.00(3) . . no
C26 H44 0.95(2) . . no
C27 C28 1.527(3) . . no
C27 C29 1.528(3) . . no
C27 H45 0.94(2) . . no
C28 H46 1.00(3) . . no
C28 H47 0.93(3) . . no
C28 H48 0.99(3) . . no
C29 H49 0.96(3) . . no
C29 H50 0.95(3) . . no
C29 H51 1.00(2) . . no
C30 C31 1.530(3) . . no
C30 C32 1.525(3) . . no
C30 H52 0.96(2) . . no
C31 H53 1.00(3) . . no
C31 H54 1.00(3) . . no
C31 H55 0.97(3) . . no
C32 H56 1.03(3) . . no
C32 H57 0.91(3) . . no
C32 H58 0.93(3) . . no
