#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:28:34 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179846 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/42/7014226.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_7014226
loop_
_publ_author_name
'Tunik, Sergey P.'
'Khripun, Vassily D.'
'Haukka, Matti'
'Pakkanen, Tapani A.'
_publ_section_title
;
 Reactions of 2,4-hexadiyne-1,6-diol with [H2Os3(CO)9(PR3)] clusters.
 Cyclization of the diyne and reversible exchange of the phosphine
 ligands between different positions of the "Os3C3" framework.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1775
_journal_page_last               1782
_journal_paper_doi               10.1039/b403861b
_journal_year                    2004
_chemical_formula_sum            'C21 H21 O10 Os3 P'
_chemical_formula_weight         1034.95
_chemical_name_common            Os3(CO)9(C6H6O)(PEt3)
_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     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.3000(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.33170(10)
_cell_length_b                   15.5444(2)
_cell_length_c                   15.7323(2)
_cell_measurement_temperature    140(2)
_cell_volume                     2506.13(5)
_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.6.12 (Bruker AXS, 2001)'
_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      140(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.919
_diffrn_measured_fraction_theta_max 0.919
_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  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0323
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            31146
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.62
_exptl_absorpt_coefficient_mu    15.289
_exptl_absorpt_correction_T_max  0.17688
_exptl_absorpt_correction_T_min  0.06670
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Xprep in Shelxtl v.6.12 (Bruker AXS, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.743
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1880
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.121
_refine_diff_density_min         -1.492
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         5284
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0330
_refine_ls_R_factor_gt           0.0270
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0204P)²+8.8475P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0587
_refine_ls_wR_factor_ref         0.0607
_reflns_number_gt                4699
_reflns_number_total             5284
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b403861b.txt
_cod_data_source_block           VIII
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7014226
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
C1 C 1.0845(7) 0.8207(4) 0.6569(4) 0.0320(14) Uani 1 1 d . . .
C2 C 0.8894(6) 0.7013(4) 0.6416(4) 0.0313(14) Uani 1 1 d . . .
C3 C 1.0357(6) 0.7420(4) 0.8026(4) 0.0283(13) Uani 1 1 d . . .
C4 C 0.7250(6) 0.9395(4) 0.8860(4) 0.0276(13) Uani 1 1 d . . .
C5 C 0.6879(6) 0.7417(4) 0.7364(4) 0.0290(13) Uani 1 1 d . . .
C6 C 0.8184(6) 0.7730(4) 0.9023(4) 0.0278(13) Uani 1 1 d . . .
C7 C 0.8351(6) 1.0710(4) 0.7987(4) 0.0299(13) Uani 1 1 d . . .
C8 C 1.0218(6) 0.9388(4) 0.8752(5) 0.0333(14) Uani 1 1 d . . .
C9 C 1.0447(7) 1.0163(4) 0.7194(4) 0.0336(14) Uani 1 1 d . . .
C14 C 0.6273(6) 0.9192(4) 0.7059(4) 0.0274(13) Uani 1 1 d . . .
H1 H 0.5849 0.9701 0.7297 0.033 Uiso 1 1 calc R . .
C13 C 0.7366(6) 0.9493(3) 0.6619(4) 0.0249(12) Uani 1 1 d . . .
C11 C 0.8758(6) 0.9459(4) 0.5606(4) 0.0297(13) Uani 1 1 d . . .
H11 H 0.9440 0.9306 0.5283 0.036 Uiso 1 1 calc R . .
C10 C 0.7923(6) 1.0125(4) 0.5444(4) 0.0348(15) Uani 1 1 d . . .
H10 H 0.7925 1.0502 0.4969 0.042 Uiso 1 1 calc R . .
C16 C 0.5280(6) 0.8764(4) 0.6357(4) 0.0378(15) Uani 1 1 d . . .
H16A H 0.5732 0.8339 0.6041 0.057 Uiso 1 1 calc R . .
H16B H 0.4890 0.9206 0.5959 0.057 Uiso 1 1 calc R . .
H16C H 0.4592 0.8478 0.6628 0.057 Uiso 1 1 calc R . .
C20 C 0.5294(6) 0.8208(4) 0.9833(4) 0.0329(14) Uani 1 1 d . . .
H20A H 0.5979 0.7815 1.0105 0.040 Uiso 1 1 calc R . .
H20B H 0.5573 0.8803 0.9987 0.040 Uiso 1 1 calc R . .
C21 C 0.4026(7) 0.8023(5) 1.0205(5) 0.0414(17) Uani 1 1 d . . .
H21A H 0.3768 0.7424 1.0089 0.062 Uiso 1 1 calc R . .
H21B H 0.3338 0.8406 0.9939 0.062 Uiso 1 1 calc R . .
H21C H 0.4159 0.8121 1.0825 0.062 Uiso 1 1 calc R . .
C26 C 0.3761(6) 0.8739(5) 0.8284(5) 0.0398(16) Uani 1 1 d . . .
H26A H 0.3618 0.8710 0.7650 0.048 Uiso 1 1 calc R . .
H26B H 0.2989 0.8480 0.8498 0.048 Uiso 1 1 calc R . .
C27 C 0.3843(8) 0.9675(5) 0.8548(5) 0.0487(19) Uani 1 1 d . . .
H27A H 0.4679 0.9915 0.8430 0.073 Uiso 1 1 calc R . .
H27B H 0.3776 0.9721 0.9162 0.073 Uiso 1 1 calc R . .
H27C H 0.3127 0.9995 0.8224 0.073 Uiso 1 1 calc R . .
C32 C 0.4627(7) 0.6982(4) 0.8457(6) 0.0455(19) Uani 1 1 d . . .
H32A H 0.3781 0.6906 0.8682 0.055 Uiso 1 1 calc R . .
H32B H 0.4476 0.6888 0.7830 0.055 Uiso 1 1 calc R . .
C33 C 0.5583(8) 0.6302(4) 0.8861(5) 0.0491(19) Uani 1 1 d . . .
H33A H 0.5814 0.6428 0.9472 0.074 Uiso 1 1 calc R . .
H33B H 0.6374 0.6310 0.8576 0.074 Uiso 1 1 calc R . .
H33C H 0.5176 0.5733 0.8793 0.074 Uiso 1 1 calc R . .
O1 O 1.1750(5) 0.8342(3) 0.6233(3) 0.0414(11) Uani 1 1 d . . .
O2 O 0.8657(5) 0.6417(3) 0.5996(3) 0.0377(11) Uani 1 1 d . . .
O3 O 1.1035(5) 0.7107(3) 0.8576(3) 0.0416(11) Uani 1 1 d . . .
O4 O 0.7119(5) 0.9933(3) 0.9354(3) 0.0392(11) Uani 1 1 d . . .
O5 O 0.6448(4) 0.6834(3) 0.6970(3) 0.0369(11) Uani 1 1 d . . .
O6 O 0.8754(5) 0.7323(3) 0.9553(3) 0.0385(11) Uani 1 1 d . . .
O7 O 0.7916(5) 1.1356(3) 0.8150(3) 0.0406(11) Uani 1 1 d . . .
O8 O 1.0833(5) 0.9224(3) 0.9382(3) 0.0461(12) Uani 1 1 d . . .
O9 O 1.1257(5) 1.0484(3) 0.6865(3) 0.0442(12) Uani 1 1 d . . .
O10 O 0.7081(4) 1.0195(3) 0.6034(3) 0.0323(10) Uani 1 1 d . . .
C12 C 0.8423(6) 0.9022(4) 0.6360(4) 0.0257(12) Uani 1 1 d . . .
P1 P 0.51871(15) 0.80872(10) 0.86632(11) 0.0278(3) Uani 1 1 d . . .
Os1 Os 0.93436(2) 0.801586(13) 0.709254(15) 0.02291(7) Uani 1 1 d . . .
Os2 Os 0.71948(2) 0.839200(13) 0.813620(14) 0.02163(6) Uani 1 1 d . . .
Os3 Os 0.91000(2) 0.963197(13) 0.771441(15) 0.02367(7) 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'
P P 0.1023 0.0942 '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 178.1(6) . . ?
O2 C2 Os1 177.9(6) . . ?
O3 C3 Os1 174.9(5) . . ?
O4 C4 Os2 168.7(5) . . ?
O5 C5 Os2 166.0(5) . . ?
O6 C6 Os2 178.7(5) . . ?
O7 C7 Os3 179.3(5) . . ?
O8 C8 Os3 176.8(6) . . ?
O9 C9 Os3 179.0(6) . . ?
C13 C14 C16 106.1(5) . . ?
C13 C14 Os2 104.9(4) . . ?
C16 C14 Os2 118.8(4) . . ?
C13 C14 H1 108.9 . . ?
C16 C14 H1 108.9 . . ?
Os2 C14 H1 108.9 . . ?
C12 C13 O10 108.2(5) . . ?
C12 C13 C14 129.5(5) . . ?
O10 C13 C14 115.8(5) . . ?
C12 C13 Os3 73.3(3) . . ?
O10 C13 Os3 118.6(4) . . ?
C14 C13 Os3 104.2(4) . . ?
C10 C11 C12 107.5(6) . . ?
C10 C11 H11 126.2 . . ?
C12 C11 H11 126.2 . . ?
C11 C10 O10 112.5(6) . . ?
C11 C10 H10 123.7 . . ?
O10 C10 H10 123.7 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C21 C20 P1 114.7(5) . . ?
C21 C20 H20A 108.6 . . ?
P1 C20 H20A 108.6 . . ?
C21 C20 H20B 108.6 . . ?
P1 C20 H20B 108.6 . . ?
H20A C20 H20B 107.6 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C27 C26 P1 115.4(5) . . ?
C27 C26 H26A 108.4 . . ?
P1 C26 H26A 108.4 . . ?
C27 C26 H26B 108.4 . . ?
P1 C26 H26B 108.4 . . ?
H26A C26 H26B 107.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C33 C32 P1 113.7(5) . . ?
C33 C32 H32A 108.8 . . ?
P1 C32 H32A 108.8 . . ?
C33 C32 H32B 108.8 . . ?
P1 C32 H32B 108.8 . . ?
H32A C32 H32B 107.7 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C10 O10 C13 106.3(5) . . ?
C13 C12 C11 105.4(5) . . ?
C13 C12 Os1 122.7(4) . . ?
C11 C12 Os1 131.4(4) . . ?
C13 C12 Os3 71.5(3) . . ?
C11 C12 Os3 118.6(4) . . ?
Os1 C12 Os3 75.03(19) . . ?
C26 P1 C32 103.8(3) . . ?
C26 P1 C20 102.4(3) . . ?
C32 P1 C20 104.5(4) . . ?
C26 P1 Os2 118.6(2) . . ?
C32 P1 Os2 113.3(2) . . ?
C20 P1 Os2 112.6(2) . . ?
C1 Os1 C2 92.3(3) . . ?
C1 Os1 C3 90.7(3) . . ?
C2 Os1 C3 95.9(3) . . ?
C1 Os1 C12 89.0(2) . . ?
C2 Os1 C12 103.9(2) . . ?
C3 Os1 C12 160.2(2) . . ?
C1 Os1 Os3 97.56(19) . . ?
C2 Os1 Os3 157.94(19) . . ?
C3 Os1 Os3 103.66(17) . . ?
C12 Os1 Os3 56.81(15) . . ?
C1 Os1 Os2 158.21(19) . . ?
C2 Os1 Os2 108.8(2) . . ?
C3 Os1 Os2 92.59(18) . . ?
C12 Os1 Os2 80.72(16) . . ?
Os3 Os1 Os2 60.747(8) . . ?
C6 Os2 C4 91.8(3) . . ?
C6 Os2 C5 93.9(2) . . ?
C4 Os2 C5 171.9(3) . . ?
C6 Os2 C14 173.3(2) . . ?
C4 Os2 C14 88.6(2) . . ?
C5 Os2 C14 86.5(2) . . ?
C6 Os2 P1 92.69(19) . . ?
C4 Os2 P1 85.23(18) . . ?
C5 Os2 P1 88.72(19) . . ?
C14 Os2 P1 93.98(16) . . ?
C6 Os2 Os3 102.09(18) . . ?
C4 Os2 Os3 68.06(18) . . ?
C5 Os2 Os3 116.21(18) . . ?
C14 Os2 Os3 71.90(15) . . ?
P1 Os2 Os3 149.59(4) . . ?
C6 Os2 Os1 86.01(18) . . ?
C4 Os2 Os1 121.05(18) . . ?
C5 Os2 Os1 65.22(18) . . ?
C14 Os2 Os1 88.09(16) . . ?
P1 Os2 Os1 153.71(4) . . ?
Os3 Os2 Os1 55.128(7) . . ?
C9 Os3 C8 93.3(3) . . ?
C9 Os3 C7 93.2(2) . . ?
C8 Os3 C7 101.5(3) . . ?
C9 Os3 C13 105.0(3) . . ?
C8 Os3 C13 159.3(2) . . ?
C7 Os3 C13 87.3(2) . . ?
C9 Os3 C12 86.2(2) . . ?
C8 Os3 C12 140.3(2) . . ?
C7 Os3 C12 118.2(2) . . ?
C13 Os3 C12 35.19(19) . . ?
C9 Os3 Os1 98.06(18) . . ?
C8 Os3 Os1 92.89(18) . . ?
C7 Os3 Os1 161.17(18) . . ?
C13 Os3 Os1 75.30(13) . . ?
C12 Os3 Os1 48.16(14) . . ?
C9 Os3 Os2 161.77(18) . . ?
C8 Os3 Os2 91.54(18) . . ?
C7 Os3 Os2 103.04(17) . . ?
C13 Os3 Os2 68.06(14) . . ?
C12 Os3 Os2 78.85(14) . . ?
Os1 Os3 Os2 64.124(8) . . ?
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 1.150(8) . ?
C1 Os1 1.871(7) . ?
C2 O2 1.147(7) . ?
C2 Os1 1.911(6) . ?
C3 O3 1.150(7) . ?
C3 Os1 1.929(6) . ?
C4 O4 1.161(7) . ?
C4 Os2 1.927(6) . ?
C5 O5 1.155(7) . ?
C5 Os2 1.943(6) . ?
C6 O6 1.148(7) . ?
C6 Os2 1.921(6) . ?
C7 O7 1.143(7) . ?
C7 Os3 1.917(6) . ?
C8 O8 1.135(8) . ?
C8 Os3 1.914(7) . ?
C9 O9 1.151(8) . ?
C9 Os3 1.892(7) . ?
C14 C13 1.473(8) . ?
C14 C16 1.558(8) . ?
C14 Os2 2.218(6) . ?
C14 H1 1.0000 . ?
C13 C12 1.417(8) . ?
C13 O10 1.434(7) . ?
C13 Os3 2.333(6) . ?
C11 C10 1.350(9) . ?
C11 C12 1.447(8) . ?
C11 H11 0.9500 . ?
C10 O10 1.355(8) . ?
C10 H10 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C20 C21 1.529(9) . ?
C20 P1 1.839(7) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C26 C27 1.513(10) . ?
C26 P1 1.824(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C32 C33 1.529(11) . ?
C32 P1 1.828(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C12 Os1 2.097(6) . ?
C12 Os3 2.355(6) . ?
P1 Os2 2.3773(16) . ?
Os1 Os3 2.7192(3) . ?
Os1 Os2 2.9820(3) . ?
Os2 Os3 2.8917(3) . ?
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
C16 C14 C13 C12 -79.2(7) . . . . ?
Os2 C14 C13 C12 47.4(7) . . . . ?
C16 C14 C13 O10 68.7(6) . . . . ?
Os2 C14 C13 O10 -164.7(4) . . . . ?
C16 C14 C13 Os3 -159.1(4) . . . . ?
Os2 C14 C13 Os3 -32.5(3) . . . . ?
C12 C11 C10 O10 2.0(7) . . . . ?
C11 C10 O10 C13 -2.0(7) . . . . ?
C12 C13 O10 C10 1.3(6) . . . . ?
C14 C13 O10 C10 -153.2(5) . . . . ?
Os3 C13 O10 C10 81.8(5) . . . . ?
O10 C13 C12 C11 -0.2(6) . . . . ?
C14 C13 C12 C11 149.6(6) . . . . ?
Os3 C13 C12 C11 -115.5(4) . . . . ?
O10 C13 C12 Os1 172.8(4) . . . . ?
C14 C13 C12 Os1 -37.4(8) . . . . ?
Os3 C13 C12 Os1 57.5(4) . . . . ?
O10 C13 C12 Os3 115.4(4) . . . . ?
C14 C13 C12 Os3 -94.8(6) . . . . ?
C10 C11 C12 C13 -1.0(7) . . . . ?
C10 C11 C12 Os1 -173.2(5) . . . . ?
C10 C11 C12 Os3 -78.1(6) . . . . ?
C27 C26 P1 C32 167.2(6) . . . . ?
C27 C26 P1 C20 58.6(6) . . . . ?
C27 C26 P1 Os2 -66.0(6) . . . . ?
C33 C32 P1 C26 -170.2(6) . . . . ?
C33 C32 P1 C20 -63.2(6) . . . . ?
C33 C32 P1 Os2 59.8(6) . . . . ?
C21 C20 P1 C26 51.2(6) . . . . ?
C21 C20 P1 C32 -56.8(6) . . . . ?
C21 C20 P1 Os2 179.7(4) . . . . ?
O1 C1 Os1 C2 102(19) . . . . ?
O1 C1 Os1 C3 -162(19) . . . . ?
O1 C1 Os1 C12 -2(19) . . . . ?
O1 C1 Os1 Os3 -58(19) . . . . ?
O1 C1 Os1 Os2 -63(19) . . . . ?
O2 C2 Os1 C1 -4(16) . . . . ?
O2 C2 Os1 C3 -95(16) . . . . ?
O2 C2 Os1 C12 85(16) . . . . ?
O2 C2 Os1 Os3 113(16) . . . . ?
O2 C2 Os1 Os2 170(16) . . . . ?
O3 C3 Os1 C1 35(6) . . . . ?
O3 C3 Os1 C2 128(6) . . . . ?
O3 C3 Os1 C12 -54(6) . . . . ?
O3 C3 Os1 Os3 -63(6) . . . . ?
O3 C3 Os1 Os2 -123(6) . . . . ?
C13 C12 Os1 C1 -155.6(5) . . . . ?
C11 C12 Os1 C1 15.4(6) . . . . ?
Os3 C12 Os1 C1 -99.7(2) . . . . ?
C13 C12 Os1 C2 112.3(5) . . . . ?
C11 C12 Os1 C2 -76.7(6) . . . . ?
Os3 C12 Os1 C2 168.2(2) . . . . ?
C13 C12 Os1 C3 -66.3(9) . . . . ?
C11 C12 Os1 C3 104.6(8) . . . . ?
Os3 C12 Os1 C3 -10.5(8) . . . . ?
C13 C12 Os1 Os3 -55.9(4) . . . . ?
C11 C12 Os1 Os3 115.1(6) . . . . ?
C13 C12 Os1 Os2 5.1(4) . . . . ?
C11 C12 Os1 Os2 176.1(6) . . . . ?
Os3 C12 Os1 Os2 61.00(10) . . . . ?
O6 C6 Os2 C4 117(24) . . . . ?
O6 C6 Os2 C5 -57(24) . . . . ?
O6 C6 Os2 C14 -150(23) . . . . ?
O6 C6 Os2 P1 32(24) . . . . ?
O6 C6 Os2 Os3 -175(100) . . . . ?
O6 C6 Os2 Os1 -122(24) . . . . ?
O4 C4 Os2 C6 -80(3) . . . . ?
O4 C4 Os2 C5 55(4) . . . . ?
O4 C4 Os2 C14 107(3) . . . . ?
O4 C4 Os2 P1 13(3) . . . . ?
O4 C4 Os2 Os3 178(3) . . . . ?
O4 C4 Os2 Os1 -166(3) . . . . ?
O5 C5 Os2 C6 99(2) . . . . ?
O5 C5 Os2 C4 -35(3) . . . . ?
O5 C5 Os2 C14 -88(2) . . . . ?
O5 C5 Os2 P1 6(2) . . . . ?
O5 C5 Os2 Os3 -156(2) . . . . ?
O5 C5 Os2 Os1 -177(2) . . . . ?
C13 C14 Os2 C6 0(2) . . . . ?
C16 C14 Os2 C6 118.5(19) . . . . ?
C13 C14 Os2 C4 93.6(4) . . . . ?
C16 C14 Os2 C4 -148.1(5) . . . . ?
C13 C14 Os2 C5 -92.8(4) . . . . ?
C16 C14 Os2 C5 25.5(5) . . . . ?
C13 C14 Os2 P1 178.7(3) . . . . ?
C16 C14 Os2 P1 -63.0(5) . . . . ?
C13 C14 Os2 Os3 26.2(3) . . . . ?
C16 C14 Os2 Os3 144.5(5) . . . . ?
C13 C14 Os2 Os1 -27.6(3) . . . . ?
C16 C14 Os2 Os1 90.7(5) . . . . ?
C26 P1 Os2 C6 164.7(3) . . . . ?
C32 P1 Os2 C6 -73.1(3) . . . . ?
C20 P1 Os2 C6 45.3(3) . . . . ?
C26 P1 Os2 C4 73.1(3) . . . . ?
C32 P1 Os2 C4 -164.7(4) . . . . ?
C20 P1 Os2 C4 -46.3(3) . . . . ?
C26 P1 Os2 C5 -101.5(3) . . . . ?
C32 P1 Os2 C5 20.7(3) . . . . ?
C20 P1 Os2 C5 139.1(3) . . . . ?
C26 P1 Os2 C14 -15.1(3) . . . . ?
C32 P1 Os2 C14 107.1(3) . . . . ?
C20 P1 Os2 C14 -134.6(3) . . . . ?
C26 P1 Os2 Os3 45.1(3) . . . . ?
C32 P1 Os2 Os3 167.3(3) . . . . ?
C20 P1 Os2 Os3 -74.4(3) . . . . ?
C26 P1 Os2 Os1 -108.8(3) . . . . ?
C32 P1 Os2 Os1 13.3(3) . . . . ?
C20 P1 Os2 Os1 131.7(2) . . . . ?
C1 Os1 Os2 C6 -101.8(5) . . . . ?
C2 Os1 Os2 C6 93.6(3) . . . . ?
C3 Os1 Os2 C6 -3.5(2) . . . . ?
C12 Os1 Os2 C6 -164.7(2) . . . . ?
Os3 Os1 Os2 C6 -107.72(17) . . . . ?
C1 Os1 Os2 C4 -12.1(6) . . . . ?
C2 Os1 Os2 C4 -176.7(3) . . . . ?
C3 Os1 Os2 C4 86.2(3) . . . . ?
C12 Os1 Os2 C4 -75.0(3) . . . . ?
Os3 Os1 Os2 C4 -18.0(2) . . . . ?
C1 Os1 Os2 C5 162.1(5) . . . . ?
C2 Os1 Os2 C5 -2.5(3) . . . . ?
C3 Os1 Os2 C5 -99.6(3) . . . . ?
C12 Os1 Os2 C5 99.1(2) . . . . ?
Os3 Os1 Os2 C5 156.15(19) . . . . ?
C1 Os1 Os2 C14 75.1(5) . . . . ?
C2 Os1 Os2 C14 -89.5(2) . . . . ?
C3 Os1 Os2 C14 173.4(2) . . . . ?
C12 Os1 Os2 C14 12.2(2) . . . . ?
Os3 Os1 Os2 C14 69.17(14) . . . . ?
C1 Os1 Os2 P1 170.2(5) . . . . ?
C2 Os1 Os2 P1 5.6(2) . . . . ?
C3 Os1 Os2 P1 -91.51(19) . . . . ?
C12 Os1 Os2 P1 107.26(18) . . . . ?
Os3 Os1 Os2 P1 164.28(9) . . . . ?
C1 Os1 Os2 Os3 5.9(5) . . . . ?
C2 Os1 Os2 Os3 -158.7(2) . . . . ?
C3 Os1 Os2 Os3 104.21(17) . . . . ?
C12 Os1 Os2 Os3 -57.02(15) . . . . ?
O9 C9 Os3 C8 162(32) . . . . ?
O9 C9 Os3 C7 -96(32) . . . . ?
O9 C9 Os3 C13 -8(32) . . . . ?
O9 C9 Os3 C12 22(32) . . . . ?
O9 C9 Os3 Os1 69(32) . . . . ?
O9 C9 Os3 Os2 57(32) . . . . ?
O8 C8 Os3 C9 -177(100) . . . . ?
O8 C8 Os3 C7 89(11) . . . . ?
O8 C8 Os3 C13 -25(11) . . . . ?
O8 C8 Os3 C12 -89(11) . . . . ?
O8 C8 Os3 Os1 -79(11) . . . . ?
O8 C8 Os3 Os2 -15(11) . . . . ?
O7 C7 Os3 C9 -31(50) . . . . ?
O7 C7 Os3 C8 63(50) . . . . ?
O7 C7 Os3 C13 -136(50) . . . . ?
O7 C7 Os3 C12 -119(50) . . . . ?
O7 C7 Os3 Os1 -158(100) . . . . ?
O7 C7 Os3 Os2 157(100) . . . . ?
C12 C13 Os3 C9 60.1(4) . . . . ?
O10 C13 Os3 C9 -41.8(5) . . . . ?
C14 C13 Os3 C9 -172.4(4) . . . . ?
C12 C13 Os3 C8 -91.4(7) . . . . ?
O10 C13 Os3 C8 166.7(6) . . . . ?
C14 C13 Os3 C8 36.1(8) . . . . ?
C12 C13 Os3 C7 152.7(4) . . . . ?
O10 C13 Os3 C7 50.8(4) . . . . ?
C14 C13 Os3 C7 -79.8(4) . . . . ?
O10 C13 Os3 C12 -101.9(6) . . . . ?
C14 C13 Os3 C12 127.5(5) . . . . ?
C12 C13 Os3 Os1 -34.5(3) . . . . ?
O10 C13 Os3 Os1 -136.4(4) . . . . ?
C14 C13 Os3 Os1 93.0(3) . . . . ?
C12 C13 Os3 Os2 -102.1(3) . . . . ?
O10 C13 Os3 Os2 156.0(5) . . . . ?
C14 C13 Os3 Os2 25.4(3) . . . . ?
C13 C12 Os3 C9 -122.9(4) . . . . ?
C11 C12 Os3 C9 -25.0(5) . . . . ?
Os1 C12 Os3 C9 104.3(2) . . . . ?
C13 C12 Os3 C8 146.4(4) . . . . ?
C11 C12 Os3 C8 -115.7(5) . . . . ?
Os1 C12 Os3 C8 13.6(4) . . . . ?
C13 C12 Os3 C7 -31.3(4) . . . . ?
C11 C12 Os3 C7 66.6(5) . . . . ?
Os1 C12 Os3 C7 -164.1(2) . . . . ?
C11 C12 Os3 C13 97.9(6) . . . . ?
Os1 C12 Os3 C13 -132.7(4) . . . . ?
C13 C12 Os3 Os1 132.7(4) . . . . ?
C11 C12 Os3 Os1 -129.4(5) . . . . ?
C13 C12 Os3 Os2 67.6(3) . . . . ?
C11 C12 Os3 Os2 165.5(5) . . . . ?
Os1 C12 Os3 Os2 -65.13(12) . . . . ?
C1 Os1 Os3 C9 6.3(3) . . . . ?
C2 Os1 Os3 C9 -109.5(6) . . . . ?
C3 Os1 Os3 C9 98.8(3) . . . . ?
C12 Os1 Os3 C9 -77.5(3) . . . . ?
Os2 Os1 Os3 C9 -175.9(2) . . . . ?
C1 Os1 Os3 C8 -87.5(3) . . . . ?
C2 Os1 Os3 C8 156.7(6) . . . . ?
C3 Os1 Os3 C8 5.1(3) . . . . ?
C12 Os1 Os3 C8 -171.3(3) . . . . ?
Os2 Os1 Os3 C8 90.31(19) . . . . ?
C1 Os1 Os3 C7 132.4(6) . . . . ?
C2 Os1 Os3 C7 16.6(8) . . . . ?
C3 Os1 Os3 C7 -135.0(6) . . . . ?
C12 Os1 Os3 C7 48.6(6) . . . . ?
Os2 Os1 Os3 C7 -49.8(6) . . . . ?
C1 Os1 Os3 C13 109.8(2) . . . . ?
C2 Os1 Os3 C13 -6.0(5) . . . . ?
C3 Os1 Os3 C13 -157.7(2) . . . . ?
C12 Os1 Os3 C13 26.0(2) . . . . ?
Os2 Os1 Os3 C13 -72.42(15) . . . . ?
C1 Os1 Os3 C12 83.8(3) . . . . ?
C2 Os1 Os3 C12 -32.0(6) . . . . ?
C3 Os1 Os3 C12 176.4(3) . . . . ?
Os2 Os1 Os3 C12 -98.38(19) . . . . ?
C1 Os1 Os3 Os2 -177.78(19) . . . . ?
C2 Os1 Os3 Os2 66.4(5) . . . . ?
C3 Os1 Os3 Os2 -85.25(18) . . . . ?
C12 Os1 Os3 Os2 98.38(19) . . . . ?
C6 Os2 Os3 C9 89.4(7) . . . . ?
C4 Os2 Os3 C9 176.5(7) . . . . ?
C5 Os2 Os3 C9 -11.1(7) . . . . ?
C14 Os2 Os3 C9 -87.6(7) . . . . ?
P1 Os2 Os3 C9 -153.2(7) . . . . ?
Os1 Os2 Os3 C9 13.1(6) . . . . ?
C6 Os2 Os3 C8 -16.1(3) . . . . ?
C4 Os2 Os3 C8 70.9(3) . . . . ?
C5 Os2 Os3 C8 -116.6(3) . . . . ?
C14 Os2 Os3 C8 166.9(2) . . . . ?
P1 Os2 Os3 C8 101.2(2) . . . . ?
Os1 Os2 Os3 C8 -92.47(19) . . . . ?
C6 Os2 Os3 C7 -118.3(3) . . . . ?
C4 Os2 Os3 C7 -31.2(3) . . . . ?
C5 Os2 Os3 C7 141.2(3) . . . . ?
C14 Os2 Os3 C7 64.7(3) . . . . ?
P1 Os2 Os3 C7 -0.9(2) . . . . ?
Os1 Os2 Os3 C7 165.3(2) . . . . ?
C6 Os2 Os3 C13 160.1(2) . . . . ?
C4 Os2 Os3 C13 -112.8(2) . . . . ?
C5 Os2 Os3 C13 59.6(2) . . . . ?
C14 Os2 Os3 C13 -16.9(2) . . . . ?
P1 Os2 Os3 C13 -82.53(17) . . . . ?
Os1 Os2 Os3 C13 83.76(15) . . . . ?
C6 Os2 Os3 C12 125.1(2) . . . . ?
C4 Os2 Os3 C12 -147.9(2) . . . . ?
C5 Os2 Os3 C12 24.5(2) . . . . ?
C14 Os2 Os3 C12 -52.0(2) . . . . ?
P1 Os2 Os3 C12 -117.59(16) . . . . ?
Os1 Os2 Os3 C12 48.70(14) . . . . ?
C6 Os2 Os3 Os1 76.35(18) . . . . ?
C4 Os2 Os3 Os1 163.41(19) . . . . ?
C5 Os2 Os3 Os1 -24.15(19) . . . . ?
C14 Os2 Os3 Os1 -100.66(16) . . . . ?
P1 Os2 Os3 Os1 -166.29(8) . . . . ?
