#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/15/7011513.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_7011513
loop_
_publ_author_name
'Sergey P. Tunik'
'Irina A. Balova'
'Maxim E. Borovitov'
'Ebbe Nordlander'
'Matti Haukka'
'Tapani A. Pakkanen'
_publ_section_title
;
 Unusual C--H bond activation---aldol condensation of aromatic
 aldehydes with the methyl group of a carbene-like triosmium cluster
;
_journal_issue                   6
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              827
_journal_page_last               828
_journal_paper_doi               10.1039/b200707j
_journal_year                    2002
_chemical_formula_moiety         HOs3(CO)10(C13H9O)
_chemical_formula_sum            'C23 H10 O11 Os3'
_chemical_formula_weight         1032.91
_chemical_name_common            HOs3(CO)10(C13H9O)
_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     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.8138(6)
_cell_angle_beta                 91.0860(7)
_cell_angle_gamma                96.8966(8)
_cell_formula_units_Z            2
_cell_length_a                   9.52160(10)
_cell_length_b                   9.66420(10)
_cell_length_c                   13.9842(2)
_cell_measurement_reflns_used    22008
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      0.998
_cell_volume                     1264.82(3)
_computing_cell_refinement       'Denzo/Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'Denzo/Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'XP in SHELXTL v.5.1 (Bruker Axs, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF99 (Beurskens et al., 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19096
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         3.71
_exptl_absorpt_coefficient_mu    15.090
_exptl_absorpt_correction_T_max  0.13092
_exptl_absorpt_correction_T_min  0.08487
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Xprep in Shelxtl v. 5.1 (Bruker AXS, 1998)'
_exptl_crystal_colour            'greenish yellow'
_exptl_crystal_density_diffrn    2.712
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.400
_refine_diff_density_min         -1.509
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4929
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.141
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0225
_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)+(0.0169P)²+3.7584P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0549
_refine_ls_wR_factor_ref         0.0556
_reflns_number_gt                4735
_reflns_number_total             4929
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b200707j.txt
_cod_data_source_block           HOs3(CO)10(C13H9O)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 
;
_cod_database_code               7011513
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2336(5) 0.4190(5) 0.1064(4) 0.0288(11) Uani 1 1 d . . .
C2 C 0.3237(6) 0.4329(6) 0.2964(4) 0.0310(11) Uani 1 1 d . . .
C3 C 0.0908(6) 0.5853(5) 0.2360(4) 0.0277(11) Uani 1 1 d . . .
C4 C 0.2027(5) 0.2199(5) 0.4317(4) 0.0278(11) Uani 1 1 d . . .
C5 C -0.0386(6) 0.0239(6) 0.3760(4) 0.0293(11) Uani 1 1 d . . .
C6 C -0.0665(5) 0.2927(5) 0.4748(4) 0.0284(11) Uani 1 1 d . . .
C7 C -0.3474(5) 0.1780(6) 0.3622(4) 0.0319(11) Uani 1 1 d . . .
C8 C -0.3885(6) 0.2589(7) 0.1731(4) 0.0368(13) Uani 1 1 d . . .
C9 C -0.2120(5) 0.0429(6) 0.2024(4) 0.0312(11) Uani 1 1 d . . .
C10 C -0.2053(5) 0.4323(6) 0.3194(4) 0.0298(11) Uani 1 1 d . . .
C11 C -0.0709(5) 0.2821(5) 0.1529(3) 0.0219(9) Uani 1 1 d . . .
C12 C -0.1030(6) 0.2966(6) 0.0520(4) 0.0303(11) Uani 1 1 d . . .
H12 H -0.1682 0.3539 0.0307 0.036 Uiso 1 1 calc R . .
C13 C -0.0253(6) 0.2157(6) -0.0048(4) 0.0312(11) Uani 1 1 d . . .
H13 H -0.0294 0.2063 -0.0733 0.037 Uiso 1 1 calc R . .
C14 C 0.0352(5) 0.1893(5) 0.1442(3) 0.0217(9) Uani 1 1 d . . .
C15 C 0.1191(5) 0.1620(5) 0.2234(3) 0.0183(9) Uani 1 1 d . . .
C16 C 0.2291(5) 0.0683(5) 0.1999(3) 0.0212(9) Uani 1 1 d . . .
H16 H 0.2658 0.0651 0.1370 0.025 Uiso 1 1 calc R . .
C17 C 0.2818(5) -0.0120(5) 0.2583(4) 0.0271(10) Uani 1 1 d . . .
H17 H 0.2506 -0.0029 0.3227 0.033 Uiso 1 1 calc R . .
C18 C 0.3825(5) -0.1129(5) 0.2336(4) 0.0253(10) Uani 1 1 d . . .
C19 C 0.4106(6) -0.1643(6) 0.1381(4) 0.0307(11) Uani 1 1 d . . .
H19 H 0.3648 -0.1315 0.0861 0.037 Uiso 1 1 calc R . .
C20 C 0.5042(6) -0.2621(6) 0.1191(4) 0.0364(12) Uani 1 1 d . . .
H20 H 0.5207 -0.2971 0.0540 0.044 Uiso 1 1 calc R . .
C21 C 0.5744(6) -0.3101(6) 0.1928(4) 0.0342(12) Uani 1 1 d . . .
H21 H 0.6387 -0.3773 0.1786 0.041 Uiso 1 1 calc R . .
C22 C 0.5502(6) -0.2595(6) 0.2872(4) 0.0356(12) Uani 1 1 d . . .
H22 H 0.6002 -0.2895 0.3385 0.043 Uiso 1 1 calc R . .
C23 C 0.4525(6) -0.1644(5) 0.3072(4) 0.0310(11) Uani 1 1 d . . .
H23 H 0.4330 -0.1337 0.3725 0.037 Uiso 1 1 calc R . .
O1 O 0.2842(4) 0.4346(4) 0.0356(3) 0.0378(9) Uani 1 1 d . . .
O2 O 0.4276(4) 0.4465(5) 0.3391(3) 0.0497(11) Uani 1 1 d . . .
O3 O 0.0587(5) 0.6941(4) 0.2389(3) 0.0420(10) Uani 1 1 d . . .
O4 O 0.3017(4) 0.2242(5) 0.4787(3) 0.0437(10) Uani 1 1 d . . .
O5 O -0.0762(5) -0.0901(4) 0.3845(3) 0.0439(10) Uani 1 1 d . . .
O6 O -0.1236(4) 0.3378(5) 0.5398(3) 0.0414(10) Uani 1 1 d . . .
O7 O -0.4096(5) 0.1449(5) 0.4240(3) 0.0482(11) Uani 1 1 d . . .
O8 O -0.4813(5) 0.2713(6) 0.1247(3) 0.0537(12) Uani 1 1 d . . .
O9 O -0.1944(4) -0.0665(4) 0.1661(3) 0.0437(10) Uani 1 1 d . . .
O10 O -0.1894(4) 0.5456(4) 0.3552(3) 0.0417(10) Uani 1 1 d . . .
O13 O 0.0627(4) 0.1467(4) 0.0486(2) 0.0259(7) Uani 1 1 d . . .
Os1 Os 0.144445(19) 0.395163(18) 0.225387(13) 0.02052(6) Uani 1 1 d . . .
H23B H 0.0708 0.4024 0.3473 0.050 Uiso 1 1 d . . .
Os2 Os 0.026227(18) 0.214737(18) 0.361511(12) 0.01946(6) Uani 1 1 d . . .
Os3 Os -0.232105(19) 0.23672(2) 0.257633(13) 0.02343(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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 '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
O1 C1 Os1 178.6(5) . . ?
O2 C2 Os1 175.7(5) . . ?
O3 C3 Os1 177.7(5) . . ?
O4 C4 Os2 175.3(5) . . ?
O5 C5 Os2 179.4(5) . . ?
O6 C6 Os2 178.4(4) . . ?
O7 C7 Os3 177.7(5) . . ?
O8 C8 Os3 178.9(5) . . ?
O9 C9 Os3 175.5(5) . . ?
O10 C10 Os3 179.8(5) . . ?
C14 C11 C12 102.6(4) . . ?
C14 C11 Os3 114.8(3) . . ?
C12 C11 Os3 124.0(3) . . ?
C14 C11 Os1 69.3(2) . . ?
C12 C11 Os1 118.6(3) . . ?
Os3 C11 Os1 113.10(19) . . ?
C13 C12 C11 108.7(4) . . ?
C13 C12 H12 125.7 . . ?
C11 C12 H12 125.7 . . ?
C12 C13 O13 111.9(4) . . ?
C12 C13 H13 124.1 . . ?
O13 C13 H13 124.1 . . ?
O13 C14 C15 123.4(4) . . ?
O13 C14 C11 111.8(4) . . ?
C15 C14 C11 124.1(4) . . ?
O13 C14 Os1 121.2(3) . . ?
C15 C14 Os1 70.0(2) . . ?
C11 C14 Os1 74.8(3) . . ?
C14 C15 C16 116.5(4) . . ?
C14 C15 Os2 113.0(3) . . ?
C16 C15 Os2 127.9(3) . . ?
C14 C15 Os1 73.2(3) . . ?
C16 C15 Os1 126.2(3) . . ?
Os2 C15 Os1 82.74(15) . . ?
C17 C16 C15 126.3(4) . . ?
C17 C16 H16 116.8 . . ?
C15 C16 H16 116.8 . . ?
C16 C17 C18 126.7(5) . . ?
C16 C17 H17 116.6 . . ?
C18 C17 H17 116.6 . . ?
C23 C18 C19 117.5(4) . . ?
C23 C18 C17 119.4(5) . . ?
C19 C18 C17 123.0(4) . . ?
C20 C19 C18 120.5(5) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C21 C20 C19 121.3(5) . . ?
C21 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
C20 C21 C22 119.3(5) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C21 C22 C23 119.8(5) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C22 C23 C18 121.5(5) . . ?
C22 C23 H23 119.2 . . ?
C18 C23 H23 119.2 . . ?
C14 O13 C13 105.1(4) . . ?
C1 Os1 C2 91.8(2) . . ?
C1 Os1 C3 90.6(2) . . ?
C2 Os1 C3 100.1(2) . . ?
C1 Os1 C15 102.96(18) . . ?
C2 Os1 C15 96.39(19) . . ?
C3 Os1 C15 158.34(19) . . ?
C1 Os1 C14 85.4(2) . . ?
C2 Os1 C14 129.6(2) . . ?
C3 Os1 C14 130.24(19) . . ?
C15 Os1 C14 36.85(16) . . ?
C1 Os1 C11 95.13(19) . . ?
C2 Os1 C11 162.73(19) . . ?
C3 Os1 C11 95.68(19) . . ?
C15 Os1 C11 66.64(16) . . ?
C14 Os1 C11 35.90(16) . . ?
C1 Os1 Os2 150.54(15) . . ?
C2 Os1 Os2 91.63(16) . . ?
C3 Os1 Os2 117.56(15) . . ?
C15 Os1 Os2 47.59(11) . . ?
C14 Os1 Os2 70.11(12) . . ?
C11 Os1 Os2 74.70(11) . . ?
C1 Os1 H23B 170.6 . . ?
C2 Os1 H23B 83.5 . . ?
C3 Os1 H23B 82.2 . . ?
C15 Os1 H23B 85.7 . . ?
C14 Os1 H23B 103.9 . . ?
C11 Os1 H23B 91.7 . . ?
Os2 Os1 H23B 38.3 . . ?
C5 Os2 C4 94.8(2) . . ?
C5 Os2 C6 94.1(2) . . ?
C4 Os2 C6 92.8(2) . . ?
C5 Os2 C15 94.68(19) . . ?
C4 Os2 C15 92.93(19) . . ?
C6 Os2 C15 169.08(19) . . ?
C5 Os2 Os3 90.77(15) . . ?
C4 Os2 Os3 174.35(16) . . ?
C6 Os2 Os3 85.59(14) . . ?
C15 Os2 Os3 87.79(12) . . ?
C5 Os2 Os1 143.57(15) . . ?
C4 Os2 Os1 94.41(16) . . ?
C6 Os2 Os1 120.56(15) . . ?
C15 Os2 Os1 49.67(11) . . ?
Os3 Os2 Os1 81.784(7) . . ?
C5 Os2 H23B 174.5 . . ?
C4 Os2 H23B 90.0 . . ?
C6 Os2 H23B 82.9 . . ?
C15 Os2 H23B 87.8 . . ?
Os3 Os2 H23B 84.4 . . ?
Os1 Os2 H23B 38.3 . . ?
C8 Os3 C7 96.2(2) . . ?
C8 Os3 C10 95.4(2) . . ?
C7 Os3 C10 91.9(2) . . ?
C8 Os3 C9 96.2(2) . . ?
C7 Os3 C9 93.3(2) . . ?
C10 Os3 C9 166.7(2) . . ?
C8 Os3 C11 94.2(2) . . ?
C7 Os3 C11 168.76(19) . . ?
C10 Os3 C11 91.3(2) . . ?
C9 Os3 C11 81.45(19) . . ?
C8 Os3 Os2 171.76(17) . . ?
C7 Os3 Os2 92.03(15) . . ?
C10 Os3 Os2 84.56(14) . . ?
C9 Os3 Os2 83.04(16) . . ?
C11 Os3 Os2 77.54(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
C1 O1 1.130(6) . ?
C1 Os1 1.911(5) . ?
C2 O2 1.130(7) . ?
C2 Os1 1.929(5) . ?
C3 O3 1.126(6) . ?
C3 Os1 1.953(5) . ?
C4 O4 1.132(6) . ?
C4 Os2 1.922(5) . ?
C5 O5 1.140(7) . ?
C5 Os2 1.912(5) . ?
C6 O6 1.131(6) . ?
C6 Os2 1.935(5) . ?
C7 O7 1.118(7) . ?
C7 Os3 1.950(6) . ?
C8 O8 1.130(7) . ?
C8 Os3 1.934(5) . ?
C9 O9 1.141(7) . ?
C9 Os3 1.960(6) . ?
C10 O10 1.131(7) . ?
C10 Os3 1.954(6) . ?
C11 C14 1.426(6) . ?
C11 C12 1.466(6) . ?
C11 Os3 2.189(5) . ?
C11 Os1 2.347(5) . ?
C12 C13 1.334(7) . ?
C12 H12 0.9500 . ?
C13 O13 1.397(6) . ?
C13 H13 0.9500 . ?
C14 O13 1.383(6) . ?
C14 C15 1.425(6) . ?
C14 Os1 2.274(4) . ?
C15 C16 1.479(6) . ?
C15 Os2 2.163(4) . ?
C15 Os1 2.233(4) . ?
C16 C17 1.331(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.461(7) . ?
C17 H17 0.9500 . ?
C18 C23 1.395(7) . ?
C18 C19 1.402(7) . ?
C19 C20 1.379(7) . ?
C19 H19 0.9500 . ?
C20 C21 1.378(8) . ?
C20 H20 0.9500 . ?
C21 C22 1.378(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.390(7) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
Os1 Os2 2.9058(3) . ?
Os1 H23B 1.8511 . ?
Os2 Os3 2.8774(2) . ?
Os2 H23B 1.8504 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C14 C11 C12 C13 2.0(6) . . . . ?
Os3 C11 C12 C13 -130.0(4) . . . . ?
Os1 C11 C12 C13 75.0(5) . . . . ?
C11 C12 C13 O13 -1.3(6) . . . . ?
C12 C11 C14 O13 -2.0(5) . . . . ?
Os3 C11 C14 O13 135.2(3) . . . . ?
Os1 C11 C14 O13 -118.1(4) . . . . ?
C12 C11 C14 C15 168.5(4) . . . . ?
Os3 C11 C14 C15 -54.3(5) . . . . ?
Os1 C11 C14 C15 52.4(4) . . . . ?
C12 C11 C14 Os1 116.1(3) . . . . ?
Os3 C11 C14 Os1 -106.7(2) . . . . ?
O13 C14 C15 C16 -7.6(7) . . . . ?
C11 C14 C15 C16 -177.0(4) . . . . ?
Os1 C14 C15 C16 -122.5(4) . . . . ?
O13 C14 C15 Os2 -170.9(3) . . . . ?
C11 C14 C15 Os2 19.8(6) . . . . ?
Os1 C14 C15 Os2 74.2(2) . . . . ?
O13 C14 C15 Os1 114.9(4) . . . . ?
C11 C14 C15 Os1 -54.4(4) . . . . ?
C14 C15 C16 C17 -153.3(5) . . . . ?
Os2 C15 C16 C17 7.0(7) . . . . ?
Os1 C15 C16 C17 118.8(5) . . . . ?
C15 C16 C17 C18 175.0(5) . . . . ?
C16 C17 C18 C23 165.0(5) . . . . ?
C16 C17 C18 C19 -16.6(8) . . . . ?
C23 C18 C19 C20 0.0(8) . . . . ?
C17 C18 C19 C20 -178.4(5) . . . . ?
C18 C19 C20 C21 -1.2(9) . . . . ?
C19 C20 C21 C22 0.1(9) . . . . ?
C20 C21 C22 C23 2.0(9) . . . . ?
C21 C22 C23 C18 -3.2(8) . . . . ?
C19 C18 C23 C22 2.1(8) . . . . ?
C17 C18 C23 C22 -179.4(5) . . . . ?
C15 C14 O13 C13 -169.2(4) . . . . ?
C11 C14 O13 C13 1.3(5) . . . . ?
Os1 C14 O13 C13 -83.7(4) . . . . ?
C12 C13 O13 C14 0.1(6) . . . . ?
O1 C1 Os1 C2 -137(21) . . . . ?
O1 C1 Os1 C3 -37(21) . . . . ?
O1 C1 Os1 C15 126(21) . . . . ?
O1 C1 Os1 C14 93(21) . . . . ?
O1 C1 Os1 C11 59(21) . . . . ?
O1 C1 Os1 Os2 126(21) . . . . ?
O2 C2 Os1 C1 -113(7) . . . . ?
O2 C2 Os1 C3 156(7) . . . . ?
O2 C2 Os1 C15 -10(7) . . . . ?
O2 C2 Os1 C14 -27(7) . . . . ?
O2 C2 Os1 C11 1(8) . . . . ?
O2 C2 Os1 Os2 38(7) . . . . ?
O3 C3 Os1 C1 43(12) . . . . ?
O3 C3 Os1 C2 135(12) . . . . ?
O3 C3 Os1 C15 -86(12) . . . . ?
O3 C3 Os1 C14 -41(12) . . . . ?
O3 C3 Os1 C11 -52(12) . . . . ?
O3 C3 Os1 Os2 -128(12) . . . . ?
C14 C15 Os1 C1 -63.6(3) . . . . ?
C16 C15 Os1 C1 47.3(4) . . . . ?
Os2 C15 Os1 C1 179.68(17) . . . . ?
C14 C15 Os1 C2 -156.9(3) . . . . ?
C16 C15 Os1 C2 -46.0(4) . . . . ?
Os2 C15 Os1 C2 86.4(2) . . . . ?
C14 C15 Os1 C3 63.8(6) . . . . ?
C16 C15 Os1 C3 174.6(4) . . . . ?
Os2 C15 Os1 C3 -53.0(5) . . . . ?
C16 C15 Os1 C14 110.8(5) . . . . ?
Os2 C15 Os1 C14 -116.8(3) . . . . ?
C14 C15 Os1 C11 26.5(3) . . . . ?
C16 C15 Os1 C11 137.3(4) . . . . ?
Os2 C15 Os1 C11 -90.29(17) . . . . ?
C14 C15 Os1 Os2 116.8(3) . . . . ?
C16 C15 Os1 Os2 -132.4(4) . . . . ?
O13 C14 Os1 C1 1.2(4) . . . . ?
C15 C14 Os1 C1 118.9(3) . . . . ?
C11 C14 Os1 C1 -105.4(3) . . . . ?
O13 C14 Os1 C2 -87.3(4) . . . . ?
C15 C14 Os1 C2 30.4(4) . . . . ?
C11 C14 Os1 C2 166.2(3) . . . . ?
O13 C14 Os1 C3 88.0(4) . . . . ?
C15 C14 Os1 C3 -154.3(3) . . . . ?
C11 C14 Os1 C3 -18.6(4) . . . . ?
O13 C14 Os1 C15 -117.7(5) . . . . ?
C11 C14 Os1 C15 135.7(4) . . . . ?
O13 C14 Os1 C11 106.6(5) . . . . ?
C15 C14 Os1 C11 -135.7(4) . . . . ?
O13 C14 Os1 Os2 -162.2(4) . . . . ?
C15 C14 Os1 Os2 -44.5(2) . . . . ?
C11 C14 Os1 Os2 91.2(3) . . . . ?
C14 C11 Os1 C1 74.8(3) . . . . ?
C12 C11 Os1 C1 -18.6(4) . . . . ?
Os3 C11 Os1 C1 -176.2(2) . . . . ?
C14 C11 Os1 C2 -38.4(8) . . . . ?
C12 C11 Os1 C2 -131.8(7) . . . . ?
Os3 C11 Os1 C2 70.6(7) . . . . ?
C14 C11 Os1 C3 165.9(3) . . . . ?
C12 C11 Os1 C3 72.5(4) . . . . ?
Os3 C11 Os1 C3 -85.1(2) . . . . ?
C14 C11 Os1 C15 -27.1(3) . . . . ?
C12 C11 Os1 C15 -120.5(4) . . . . ?
Os3 C11 Os1 C15 81.9(2) . . . . ?
C12 C11 Os1 C14 -93.4(4) . . . . ?
Os3 C11 Os1 C14 109.0(3) . . . . ?
C14 C11 Os1 Os2 -77.1(3) . . . . ?
C12 C11 Os1 Os2 -170.4(4) . . . . ?
Os3 C11 Os1 Os2 31.93(15) . . . . ?
O5 C5 Os2 C4 -47(49) . . . . ?
O5 C5 Os2 C6 -140(49) . . . . ?
O5 C5 Os2 C15 46(49) . . . . ?
O5 C5 Os2 Os3 134(49) . . . . ?
O5 C5 Os2 Os1 57(49) . . . . ?
O4 C4 Os2 C5 -79(6) . . . . ?
O4 C4 Os2 C6 15(6) . . . . ?
O4 C4 Os2 C15 -174(6) . . . . ?
O4 C4 Os2 Os3 89(6) . . . . ?
O4 C4 Os2 Os1 136(6) . . . . ?
O6 C6 Os2 C5 -79(17) . . . . ?
O6 C6 Os2 C4 -174(100) . . . . ?
O6 C6 Os2 C15 64(17) . . . . ?
O6 C6 Os2 Os3 11(17) . . . . ?
O6 C6 Os2 Os1 89(17) . . . . ?
C14 C15 Os2 C5 103.5(3) . . . . ?
C16 C15 Os2 C5 -57.4(4) . . . . ?
Os1 C15 Os2 C5 171.69(18) . . . . ?
C14 C15 Os2 C4 -161.5(3) . . . . ?
C16 C15 Os2 C4 37.6(4) . . . . ?
Os1 C15 Os2 C4 -93.29(19) . . . . ?
C14 C15 Os2 C6 -39.8(11) . . . . ?
C16 C15 Os2 C6 159.3(9) . . . . ?
Os1 C15 Os2 C6 28.4(10) . . . . ?
C14 C15 Os2 Os3 12.9(3) . . . . ?
C16 C15 Os2 Os3 -148.0(4) . . . . ?
Os1 C15 Os2 Os3 81.10(10) . . . . ?
C14 C15 Os2 Os1 -68.2(3) . . . . ?
C16 C15 Os2 Os1 130.9(4) . . . . ?
C1 Os1 Os2 C5 -14.7(4) . . . . ?
C2 Os1 Os2 C5 -111.2(3) . . . . ?
C3 Os1 Os2 C5 146.5(3) . . . . ?
C15 Os1 Os2 C5 -14.0(3) . . . . ?
C14 Os1 Os2 C5 20.7(3) . . . . ?
C11 Os1 Os2 C5 58.1(3) . . . . ?
C1 Os1 Os2 C4 89.5(3) . . . . ?
C2 Os1 Os2 C4 -7.1(2) . . . . ?
C3 Os1 Os2 C4 -109.3(2) . . . . ?
C15 Os1 Os2 C4 90.1(2) . . . . ?
C14 Os1 Os2 C4 124.82(19) . . . . ?
C11 Os1 Os2 C4 162.24(19) . . . . ?
C1 Os1 Os2 C6 -174.6(4) . . . . ?
C2 Os1 Os2 C6 88.8(2) . . . . ?
C3 Os1 Os2 C6 -13.4(2) . . . . ?
C15 Os1 Os2 C6 -174.0(2) . . . . ?
C14 Os1 Os2 C6 -139.3(2) . . . . ?
C11 Os1 Os2 C6 -101.9(2) . . . . ?
C1 Os1 Os2 C15 -0.6(3) . . . . ?
C2 Os1 Os2 C15 -97.2(2) . . . . ?
C3 Os1 Os2 C15 160.6(2) . . . . ?
C14 Os1 Os2 C15 34.7(2) . . . . ?
C11 Os1 Os2 C15 72.14(19) . . . . ?
C1 Os1 Os2 Os3 -94.7(3) . . . . ?
C2 Os1 Os2 Os3 168.74(16) . . . . ?
C3 Os1 Os2 Os3 66.49(17) . . . . ?
C15 Os1 Os2 Os3 -94.09(15) . . . . ?
C14 Os1 Os2 Os3 -59.39(13) . . . . ?
C11 Os1 Os2 Os3 -21.96(12) . . . . ?
O8 C8 Os3 C7 2(32) . . . . ?
O8 C8 Os3 C10 -90(32) . . . . ?
O8 C8 Os3 C9 96(32) . . . . ?
O8 C8 Os3 C11 178(100) . . . . ?
O8 C8 Os3 Os2 -179(100) . . . . ?
O7 C7 Os3 C8 -167(13) . . . . ?
O7 C7 Os3 C10 -72(13) . . . . ?
O7 C7 Os3 C9 96(13) . . . . ?
O7 C7 Os3 C11 35(14) . . . . ?
O7 C7 Os3 Os2 13(13) . . . . ?
O10 C10 Os3 C8 -158(100) . . . . ?
O10 C10 Os3 C7 105(100) . . . . ?
O10 C10 Os3 C9 -7(100) . . . . ?
O10 C10 Os3 C11 -64(100) . . . . ?
O10 C10 Os3 Os2 13(100) . . . . ?
O9 C9 Os3 C8 89(6) . . . . ?
O9 C9 Os3 C7 -175(6) . . . . ?
O9 C9 Os3 C10 -62(7) . . . . ?
O9 C9 Os3 C11 -5(6) . . . . ?
O9 C9 Os3 Os2 -83(6) . . . . ?
C14 C11 Os3 C8 -135.3(4) . . . . ?
C12 C11 Os3 C8 -8.4(4) . . . . ?
Os1 C11 Os3 C8 147.8(2) . . . . ?
C14 C11 Os3 C7 22.9(12) . . . . ?
C12 C11 Os3 C7 149.7(9) . . . . ?
Os1 C11 Os3 C7 -54.0(11) . . . . ?
C14 C11 Os3 C10 129.2(3) . . . . ?
C12 C11 Os3 C10 -104.0(4) . . . . ?
Os1 C11 Os3 C10 52.3(2) . . . . ?
C14 C11 Os3 C9 -39.7(3) . . . . ?
C12 C11 Os3 C9 87.2(4) . . . . ?
Os1 C11 Os3 C9 -116.5(2) . . . . ?
C14 C11 Os3 Os2 45.0(3) . . . . ?
C12 C11 Os3 Os2 171.9(4) . . . . ?
Os1 C11 Os3 Os2 -31.84(15) . . . . ?
C5 Os2 Os3 C8 -123.3(13) . . . . ?
C4 Os2 Os3 C8 69(2) . . . . ?
C6 Os2 Os3 C8 142.7(13) . . . . ?
C15 Os2 Os3 C8 -28.6(13) . . . . ?
Os1 Os2 Os3 C8 20.9(13) . . . . ?
C5 Os2 Os3 C7 54.9(2) . . . . ?
C4 Os2 Os3 C7 -113.0(15) . . . . ?
C6 Os2 Os3 C7 -39.1(2) . . . . ?
C15 Os2 Os3 C7 149.6(2) . . . . ?
Os1 Os2 Os3 C7 -160.89(16) . . . . ?
C5 Os2 Os3 C10 146.6(2) . . . . ?
C4 Os2 Os3 C10 -21.3(15) . . . . ?
C6 Os2 Os3 C10 52.5(2) . . . . ?
C15 Os2 Os3 C10 -118.8(2) . . . . ?
Os1 Os2 Os3 C10 -69.22(16) . . . . ?
C5 Os2 Os3 C9 -38.1(2) . . . . ?
C4 Os2 Os3 C9 154.0(15) . . . . ?
C6 Os2 Os3 C9 -132.2(2) . . . . ?
C15 Os2 Os3 C9 56.52(19) . . . . ?
Os1 Os2 Os3 C9 106.07(15) . . . . ?
C5 Os2 Os3 C11 -120.9(2) . . . . ?
C4 Os2 Os3 C11 71.2(15) . . . . ?
C6 Os2 Os3 C11 145.1(2) . . . . ?
C15 Os2 Os3 C11 -26.22(17) . . . . ?
Os1 Os2 Os3 C11 23.33(12) . . . . ?
