# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 1534959'
_audit_update_record             
;
2017-02-27 deposited with the CCDC.
2017-04-06 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            JA-ii-32
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H40 Cl N Os P2'
_chemical_formula_iupac          ?
_chemical_formula_weight         582.12

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 2/c 1'
_space_group_name_Hall           '-P 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   11.4519(6)
_cell_length_b                   8.5831(4)
_cell_length_c                   13.3683(6)
_cell_angle_alpha                90
_cell_angle_beta                 113.000(2)
_cell_angle_gamma                90
_cell_volume                     1209.55(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9996
_cell_measurement_theta_min      2.8935
_cell_measurement_theta_max      28.3279
_cell_measurement_temperature    112.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            'clear intense brown'
_exptl_crystal_size_max          0.187
_exptl_crystal_size_mid          0.157
_exptl_crystal_size_min          0.072
_exptl_crystal_density_diffrn    1.598
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             580

_exptl_absorpt_coefficient_mu    5.518
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.63
_exptl_absorpt_correction_T_max  0.75

_exptl_special_details           
;
;

_diffrn_ambient_temperature      112.(2)

_diffrn_source                   'microfucus sealed tube'
_diffrn_source_type              'INCOATEC microfocus sealed tube'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'multilayer optics'

_diffrn_measurement_device_type  'Bruker D8 Venture CMOS'
_diffrn_measurement_method       'omega and phi scans'

_diffrn_detector_area_resol_mean 10.4167

_diffrn_reflns_number            36752
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_unetI/netI     0.0197
_diffrn_reflns_theta_min         2.37
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_full        28.37
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17

_refine_special_details          
;
;

_reflns_number_total             3027
_reflns_number_gt                2473
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0161
_refine_ls_wR_factor_gt          0.0301
_refine_ls_wR_factor_ref         0.0329
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_restrained_S_all      1.122
_refine_ls_number_reflns         3027
_refine_ls_number_parameters     121
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0130P)²+0.3856P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.484
_refine_diff_density_min         -0.634
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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'

_computing_data_collection       'Bruker Instrument Service v4.2.3'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.60261(19) 0.5681(2) 0.32316(16) 0.0153(4) Uani d . . . 1 . .
H H1 0.5997 0.6787 0.3211 0.018 Uiso calc U . R 1 . .
C C2 0.7041(2) 0.4972(2) 0.39553(17) 0.0171(4) Uani d . . . 1 . .
H H2 0.7745 0.5532 0.4451 0.021 Uiso calc U . R 1 . .
C C3 0.8365(2) 0.2270(3) 0.35992(18) 0.0213(5) Uani d . . . 1 . .
C C4 0.8013(2) 0.2810(3) 0.2417(2) 0.0314(6) Uani d . . . 1 . .
H H4A 0.8695 0.2528 0.2181 0.047 Uiso calc U . R 1 . .
H H4B 0.7896 0.3943 0.2374 0.047 Uiso calc U . R 1 . .
H H4C 0.7223 0.2302 0.1944 0.047 Uiso calc U . R 1 . .
C C5 0.8500(2) 0.0502(3) 0.3640(2) 0.0287(6) Uani d . . . 1 . .
H H5A 0.7676 0.0026 0.3218 0.043 Uiso calc U . R 1 . .
H H5B 0.8797 0.015 0.4396 0.043 Uiso calc U . R 1 . .
H H5C 0.9114 0.0194 0.3332 0.043 Uiso calc U . R 1 . .
C C6 0.9620(2) 0.3034(3) 0.4308(2) 0.0342(6) Uani d . . . 1 . .
H H6A 1.0289 0.2679 0.4077 0.051 Uiso calc U . R 1 . .
H H6B 0.984 0.2744 0.5069 0.051 Uiso calc U . R 1 . .
H H6C 0.9537 0.4168 0.4233 0.051 Uiso calc U . R 1 . .
C C7 0.7139(2) 0.2287(2) 0.53226(17) 0.0200(5) Uani d . . . 1 . .
C C8 0.6973(3) 0.0526(3) 0.5380(2) 0.0369(7) Uani d . . . 1 . .
H H8A 0.6233 0.0186 0.4747 0.055 Uiso calc U . R 1 . .
H H8B 0.6847 0.027 0.6046 0.055 Uiso calc U . R 1 . .
H H8C 0.7733 -0.0005 0.5386 0.055 Uiso calc U . R 1 . .
C C9 0.6028(3) 0.3085(3) 0.5479(2) 0.0333(6) Uani d . . . 1 . .
H H9A 0.6122 0.4217 0.5457 0.05 Uiso calc U . R 1 . .
H H9B 0.602 0.2782 0.6183 0.05 Uiso calc U . R 1 . .
H H9C 0.5231 0.2765 0.4896 0.05 Uiso calc U . R 1 . .
C C10 0.8374(2) 0.2803(3) 0.62342(19) 0.0344(6) Uani d . . . 1 . .
H H10A 0.9081 0.2192 0.6202 0.052 Uiso calc U . R 1 . .
H H10B 0.8314 0.2636 0.6938 0.052 Uiso calc U . R 1 . .
H H10C 0.8518 0.3911 0.6148 0.052 Uiso calc U . R 1 . .
N N1 0.5 0.4833(3) 0.25 0.0111(5) Uani d T P S 1 . .
P P1 0.69774(5) 0.28747(6) 0.39238(4) 0.01267(11) Uani d . . . 1 . .
Cl Cl1 0.5 -0.02165(8) 0.25 0.02368(19) Uani d T P S 1 . .
Os Os1 0.5 0.25263(2) 0.25 0.01025(4) Uani d T P S 1 . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.333(3) ?
C1 N1 . 1.403(2) ?
C2 P1 . 1.802(2) ?
C3 C5 . 1.524(3) ?
C3 C6 . 1.526(3) ?
C3 C4 . 1.542(3) ?
C3 P1 . 1.877(2) ?
C7 C10 . 1.528(3) ?
C7 C9 . 1.528(3) ?
C7 C8 . 1.529(3) ?
C7 P1 . 1.875(2) ?
N1 C1 2_655 1.403(2) ?
N1 Os1 . 1.980(2) ?
P1 Os1 . 2.3392(5) ?
Cl1 Os1 . 2.3542(7) ?
Os1 P1 2_655 2.3392(5) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 N1 . . 121.60(19) ?
C1 C2 P1 . . 115.04(16) ?
C5 C3 C6 . . 110.3(2) ?
C5 C3 C4 . . 108.57(19) ?
C6 C3 C4 . . 108.2(2) ?
C5 C3 P1 . . 110.53(16) ?
C6 C3 P1 . . 114.49(16) ?
C4 C3 P1 . . 104.33(15) ?
C10 C7 C9 . . 108.8(2) ?
C10 C7 C8 . . 109.9(2) ?
C9 C7 C8 . . 108.0(2) ?
C10 C7 P1 . . 114.67(16) ?
C9 C7 P1 . . 104.65(15) ?
C8 C7 P1 . . 110.51(15) ?
C1 N1 C1 . 2_655 117.5(2) ?
C1 N1 Os1 . . 121.25(12) ?
C1 N1 Os1 2_655 . 121.25(12) ?
C2 P1 C7 . . 104.95(10) ?
C2 P1 C3 . . 104.59(10) ?
C7 P1 C3 . . 113.19(10) ?
C2 P1 Os1 . . 99.45(7) ?
C7 P1 Os1 . . 117.65(7) ?
C3 P1 Os1 . . 114.48(7) ?
N1 Os1 P1 . . 82.656(13) ?
N1 Os1 P1 . 2_655 82.656(13) ?
P1 Os1 P1 . 2_655 165.31(3) ?
N1 Os1 Cl1 . . 180.0 ?
P1 Os1 Cl1 . . 97.344(13) ?
P1 Os1 Cl1 2_655 . 97.344(13) ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N1 C1 C2 P1 . . . . -0.6(3) ?
C2 C1 N1 C1 . . . 2_655 180.0(2) ?
C2 C1 N1 Os1 . . . . 0.0(2) ?
C1 C2 P1 C7 . . . . -121.35(17) ?
C1 C2 P1 C3 . . . . 119.26(18) ?
C1 C2 P1 Os1 . . . . 0.74(18) ?
C10 C7 P1 C2 . . . . -60.52(18) ?
C9 C7 P1 C2 . . . . 58.56(18) ?
C8 C7 P1 C2 . . . . 174.58(18) ?
C10 C7 P1 C3 . . . . 52.93(19) ?
C9 C7 P1 C3 . . . . 172.02(16) ?
C8 C7 P1 C3 . . . . -72.0(2) ?
C10 C7 P1 Os1 . . . . -169.89(14) ?
C9 C7 P1 Os1 . . . . -50.81(18) ?
C8 C7 P1 Os1 . . . . 65.21(18) ?
C5 C3 P1 C2 . . . . 175.19(16) ?
C6 C3 P1 C2 . . . . 49.9(2) ?
C4 C3 P1 C2 . . . . -68.28(16) ?
C5 C3 P1 C7 . . . . 61.52(18) ?
C6 C3 P1 C7 . . . . -63.8(2) ?
C4 C3 P1 C7 . . . . 178.05(14) ?
C5 C3 P1 Os1 . . . . -77.06(17) ?
C6 C3 P1 Os1 . . . . 157.60(16) ?
C4 C3 P1 Os1 . . . . 39.47(16) ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 1534960'
_audit_update_record             
;
2017-02-27 deposited with the CCDC.
2017-04-06 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            JA-i-10
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H40 Cl2 N Os P2'
_chemical_formula_iupac          ?
_chemical_formula_weight         617.57

_chemical_melting_point          ?

_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   16.8714(6)
_cell_length_b                   16.9302(7)
_cell_length_c                   17.1112(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4887.6(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9798
_cell_measurement_theta_min      2.6693
_cell_measurement_theta_max      26.8239
_cell_measurement_temperature    102.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            'clear intense green'
_exptl_crystal_size_max          0.154
_exptl_crystal_size_mid          0.097
_exptl_crystal_size_min          0.056
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2456

_exptl_absorpt_coefficient_mu    5.573
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.59
_exptl_absorpt_correction_T_max  0.75

_exptl_special_details           
;
;

_diffrn_ambient_temperature      102.(2)

_diffrn_source                   'microfucus sealed tube'
_diffrn_source_type              'INCOATEC microfocus sealed tube'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'multilayer optics'

_diffrn_measurement_device_type  'Bruker D8 Venture CMOS'
_diffrn_measurement_method       'omega and phi scans'

_diffrn_detector_area_resol_mean 10.4167

_diffrn_reflns_number            70085
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_av_unetI/netI     0.0193
_diffrn_reflns_theta_min         2.08
_diffrn_reflns_theta_max         26.73
_diffrn_reflns_theta_full        26.73
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21

_refine_special_details          
;
;

_reflns_number_total             5375
_reflns_number_gt                4814
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0392
_refine_ls_wR_factor_gt          0.0761
_refine_ls_wR_factor_ref         0.0784
_refine_ls_goodness_of_fit_ref   1.549
_refine_ls_restrained_S_all      1.544
_refine_ls_number_reflns         5375
_refine_ls_number_parameters     357
_refine_ls_number_restraints     64
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+23.5473P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.331
_refine_diff_density_min         -2.360
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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'

_computing_data_collection       'Bruker Instrument Service v4.2.3'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.9157(3) 0.3210(4) 0.2363(3) 0.0269(12) Uani d . . . 1.0 . .
H H1 0.9716 0.3185 0.2301 0.032 Uiso calc U . R 1.0 . .
C C20 0.4016(3) 0.3519(4) 0.9370(3) 0.0279(13) Uani d . . . 1.0 . .
H H20A 0.3953 0.3628 0.8811 0.042 Uiso calc U P R 0.503(6) A 3
H H20B 0.3861 0.3987 0.9672 0.042 Uiso calc U P R 0.503(6) A 3
H H20C 0.3678 0.3072 0.9518 0.042 Uiso calc U P R 0.503(6) A 3
H H20D 0.3733 0.3331 0.8906 0.042 Uiso calc U P R 0.497(6) A 4
H H20E 0.3864 0.4067 0.9478 0.042 Uiso calc U P R 0.497(6) A 4
H H20F 0.3878 0.3187 0.9819 0.042 Uiso calc U P R 0.497(6) A 4
C C14 0.4145(3) 0.3530(4) 0.5500(3) 0.0275(13) Uani d . . . 1.0 . .
H H14A 0.409 0.37 0.6045 0.041 Uiso calc U P R 0.503(6) A 3
H H14B 0.3782 0.309 0.5399 0.041 Uiso calc U P R 0.503(6) A 3
H H14C 0.4016 0.3971 0.5152 0.041 Uiso calc U P R 0.503(6) A 3
H H14D 0.3979 0.4071 0.5377 0.041 Uiso calc U P R 0.497(6) A 4
H H14E 0.3837 0.3333 0.5945 0.041 Uiso calc U P R 0.497(6) A 4
H H14F 0.4054 0.319 0.5046 0.041 Uiso calc U P R 0.497(6) A 4
C C9 0.6663(4) 0.4483(4) 0.3554(4) 0.0411(17) Uani d . . D 1.0 . .
H H9A 0.6298 0.4629 0.3133 0.062 Uiso calc U P R 0.911(3) B 1
H H9B 0.6554 0.4808 0.4016 0.062 Uiso calc U P R 0.911(3) B 1
H H9C 0.6591 0.3925 0.3686 0.062 Uiso calc U P R 0.911(3) B 1
H H9D 0.6337 0.4006 0.3522 0.062 Uiso calc U P R 0.089(3) B 2
H H9E 0.6533 0.4835 0.3117 0.062 Uiso calc U P R 0.089(3) B 2
H H9F 0.6557 0.4755 0.4049 0.062 Uiso calc U P R 0.089(3) B 2
C C13 0.5009(6) 0.3259(7) 0.5350(6) 0.0186(18) Uani d . P D 0.503(6) A 3
C C15 0.5113(8) 0.3013(8) 0.4504(6) 0.028(3) Uani d . P . 0.503(6) A 3
H H15A 0.5014 0.3467 0.4163 0.042 Uiso calc U P R 0.503(6) A 3
H H15B 0.4736 0.259 0.438 0.042 Uiso calc U P R 0.503(6) A 3
H H15C 0.5655 0.2822 0.4423 0.042 Uiso calc U P R 0.503(6) A 3
C C16 0.5541(7) 0.3964(8) 0.5520(8) 0.026(3) Uani d . P . 0.503(6) A 3
H H16A 0.6092 0.3826 0.5401 0.039 Uiso calc U P R 0.503(6) A 3
H H16B 0.5496 0.4108 0.6073 0.039 Uiso calc U P R 0.503(6) A 3
H H16C 0.5378 0.4412 0.5195 0.039 Uiso calc U P R 0.503(6) A 3
C C19 0.4885(10) 0.3317(10) 0.9543(8) 0.024(3) Uani d . P . 0.503(6) A 3
C C21 0.4945(7) 0.3107(8) 1.0413(6) 0.0245(18) Uani d . P . 0.503(6) A 3
H H21A 0.4586 0.2666 1.0529 0.037 Uiso calc U P R 0.503(6) A 3
H H21B 0.4795 0.3566 1.0729 0.037 Uiso calc U P R 0.503(6) A 3
H H21C 0.549 0.2953 1.0537 0.037 Uiso calc U P R 0.503(6) A 3
C C22 0.5420(8) 0.4035(7) 0.9393(7) 0.027(3) Uani d . P . 0.503(6) A 3
H H22A 0.5387 0.4185 0.8841 0.041 Uiso calc U P R 0.503(6) A 3
H H22B 0.5969 0.3901 0.9524 0.041 Uiso calc U P R 0.503(6) A 3
H H22C 0.5244 0.4478 0.9719 0.041 Uiso calc U P R 0.503(6) A 3
C C13A 0.5018(7) 0.3525(7) 0.5706(6) 0.0186(18) Uani d . P D 0.497(6) A 4
C C15A 0.5139(7) 0.4100(8) 0.6408(6) 0.025(3) Uani d . P . 0.497(6) A 4
H H15D 0.5082 0.4646 0.6228 0.037 Uiso calc U P R 0.497(6) A 4
H H15E 0.5671 0.4025 0.6628 0.037 Uiso calc U P R 0.497(6) A 4
H H15F 0.4741 0.399 0.6811 0.037 Uiso calc U P R 0.497(6) A 4
C C16A 0.5552(7) 0.3808(7) 0.5051(7) 0.024(3) Uani d . P . 0.497(6) A 4
H H16D 0.5483 0.3467 0.4593 0.036 Uiso calc U P R 0.497(6) A 4
H H16E 0.6106 0.3788 0.5223 0.036 Uiso calc U P R 0.497(6) A 4
H H16F 0.5413 0.4352 0.4913 0.036 Uiso calc U P R 0.497(6) A 4
C C19A 0.4906(9) 0.3477(9) 0.9226(8) 0.018(3) Uani d . P . 0.497(6) A 4
C C21A 0.5091(7) 0.4052(8) 0.8547(6) 0.0245(18) Uani d . P . 0.497(6) A 4
H H21D 0.4705 0.3973 0.8125 0.037 Uiso calc U P R 0.497(6) A 4
H H21E 0.5626 0.3949 0.8349 0.037 Uiso calc U P R 0.497(6) A 4
H H21F 0.5057 0.4597 0.8735 0.037 Uiso calc U P R 0.497(6) A 4
C C22A 0.5383(8) 0.3735(8) 0.9943(7) 0.030(3) Uani d . P . 0.497(6) A 4
H H22D 0.5949 0.3731 0.9816 0.045 Uiso calc U P R 0.497(6) A 4
H H22E 0.5281 0.337 1.0375 0.045 Uiso calc U P R 0.497(6) A 4
H H22F 0.5223 0.427 1.0096 0.045 Uiso calc U P R 0.497(6) A 4
C C2 0.8809(3) 0.3910(4) 0.2388(4) 0.0302(13) Uani d . . . 1.0 . .
H H2 0.91 0.4388 0.2355 0.036 Uiso calc U . R 1.0 . .
C C5 0.6510(4) 0.4489(4) 0.1558(4) 0.0325(14) Uani d . . D 1.0 . .
H H5A 0.6211 0.4055 0.1795 0.049 Uiso calc U P R 0.911(3) B 1
H H5B 0.6311 0.4588 0.1029 0.049 Uiso calc U P R 0.911(3) B 1
H H5C 0.6446 0.4967 0.1875 0.049 Uiso calc U P R 0.911(3) B 1
H H5D 0.6183 0.4752 0.1954 0.049 Uiso calc U P R 0.089(3) B 2
H H5E 0.6401 0.3921 0.1563 0.049 Uiso calc U P R 0.089(3) B 2
H H5F 0.6385 0.4705 0.1041 0.049 Uiso calc U P R 0.089(3) B 2
C C11 0.6691(4) 0.25 0.6819(4) 0.0186(15) Uani d T P S 1.0 A .
H H11 0.7252 0.25 0.6861 0.022 Uiso calc U P R 1.0 . .
C C12 0.6363(5) 0.25 0.6108(4) 0.0225(17) Uani d T P S 1.0 A .
H H12 0.6671 0.25 0.5643 0.027 Uiso calc U P R 1.0 . .
C C17 0.6648(4) 0.25 0.8219(4) 0.0187(15) Uani d T P S 1.0 A .
H H17 0.7211 0.25 0.8211 0.022 Uiso calc U P R 1.0 . .
C C18 0.6269(4) 0.25 0.8905(4) 0.0178(15) Uani d T P S 1.0 A .
H H18 0.6544 0.25 0.939 0.021 Uiso calc U P R 1.0 . .
N N1 0.8725(4) 0.25 0.2425(4) 0.0192(13) Uani d T P S 1.0 . .
N N2 0.6232(3) 0.25 0.7514(3) 0.0139(12) Uani d T P S 1.0 . .
P P1 0.77476(8) 0.38946(7) 0.24901(8) 0.0164(3) Uani d . . D 1.0 . .
P P2 0.52931(11) 0.25 0.60946(10) 0.0135(4) Uani d T P DS 1.0 . .
P P3 0.52082(11) 0.25 0.88524(10) 0.0151(4) Uani d T P S 1.0 . .
Os Os2 0.50710(2) 0.26116(7) 0.74663(2) 0.0115(2) Uani d . P . 0.5 A -1
Cl Cl3 0.48782(18) 0.39585(15) 0.74388(16) 0.0265(6) Uani d . P . 0.5 A -1
Cl Cl4 0.37004(13) 0.22786(16) 0.74188(14) 0.0262(8) Uani d . P . 0.5 A -1
Cl Cl1 0.61868(14) 0.25 0.23921(15) 0.0230(5) Uani d T P S 0.911(3) B 1
Cl Cl2 0.74173(16) 0.25 0.39731(11) 0.0286(5) Uani d T P S 0.911(3) B 1
Os Os1 0.75775(4) 0.25 0.26269(6) 0.01012(13) Uani d T P S 0.911(3) B 1
C C3 0.7377(4) 0.4270(3) 0.1519(3) 0.0233(13) Uani d . P D 0.911(3) B 1
C C4 0.7863(4) 0.4958(4) 0.1198(4) 0.0366(17) Uani d . P D 0.911(3) B 1
H H4A 0.8415 0.4792 0.113 0.055 Uiso calc U P R 0.911(3) B 1
H H4B 0.7839 0.5402 0.1564 0.055 Uiso calc U P R 0.911(3) B 1
H H4C 0.7645 0.5122 0.0692 0.055 Uiso calc U P R 0.911(3) B 1
C C6 0.7463(4) 0.3567(4) 0.0956(3) 0.0273(13) Uani d . P D 0.911(3) B 1
H H6A 0.7323 0.3734 0.0426 0.041 Uiso calc U P R 0.911(3) B 1
H H6B 0.7107 0.314 0.1121 0.041 Uiso calc U P R 0.911(3) B 1
H H6C 0.8011 0.3377 0.0964 0.041 Uiso calc U P R 0.911(3) B 1
C C7 0.7520(4) 0.4621(3) 0.3286(3) 0.0288(14) Uani d . P D 0.911(3) B 1
C C8 0.7629(5) 0.5491(4) 0.3047(4) 0.0428(19) Uani d . P D 0.911(3) B 1
H H8A 0.8159 0.5564 0.2824 0.064 Uiso calc U P R 0.911(3) B 1
H H8B 0.757 0.5829 0.3508 0.064 Uiso calc U P R 0.911(3) B 1
H H8C 0.7228 0.5634 0.2658 0.064 Uiso calc U P R 0.911(3) B 1
C C10 0.8095(5) 0.4441(4) 0.3955(4) 0.0376(18) Uani d . P D 0.911(3) B 1
H H10A 0.8639 0.455 0.3784 0.056 Uiso calc U P R 0.911(3) B 1
H H10B 0.8048 0.3884 0.4103 0.056 Uiso calc U P R 0.911(3) B 1
H H10C 0.7966 0.4775 0.4406 0.056 Uiso calc U P R 0.911(3) B 1
Cl Cl1A 0.6183(18) 0.25 0.2686(18) 0.0230(5) Uani d T P S 0.089(3) B 2
Cl Cl2A 0.7333(16) 0.25 0.1041(11) 0.0286(5) Uani d T P S 0.089(3) B 2
Os Os1A 0.7567(5) 0.25 0.2351(5) 0.0212(14) Uani d T P S 0.089(3) B 2
C C3A 0.7390(10) 0.4631(13) 0.1740(15) 0.0233(13) Uani d . P D 0.089(3) B 2
C C4A 0.7873(17) 0.450(4) 0.100(3) 0.0366(17) Uani d . P D 0.089(3) B 2
H H4D 0.7527 0.4558 0.0539 0.055 Uiso calc U P R 0.089(3) B 2
H H4E 0.8105 0.3973 0.1002 0.055 Uiso calc U P R 0.089(3) B 2
H H4F 0.8297 0.4898 0.0968 0.055 Uiso calc U P R 0.089(3) B 2
C C6A 0.750(2) 0.549(2) 0.201(3) 0.0273(13) Uani d . P D 0.089(3) B 2
H H6D 0.7819 0.5771 0.1622 0.041 Uiso calc U P R 0.089(3) B 2
H H6E 0.7764 0.5494 0.2514 0.041 Uiso calc U P R 0.089(3) B 2
H H6F 0.6977 0.5739 0.2051 0.041 Uiso calc U P R 0.089(3) B 2
C C7A 0.7545(11) 0.4256(17) 0.3513(11) 0.0288(14) Uani d . P D 0.089(3) B 2
C C8A 0.767(2) 0.354(2) 0.407(3) 0.0428(19) Uani d . P D 0.089(3) B 2
H H8D 0.7236 0.3162 0.3993 0.064 Uiso calc U P R 0.089(3) B 2
H H8E 0.7662 0.373 0.4612 0.064 Uiso calc U P R 0.089(3) B 2
H H8F 0.8175 0.3292 0.3956 0.064 Uiso calc U P R 0.089(3) B 2
C C10A 0.8032(16) 0.495(3) 0.383(4) 0.0376(18) Uani d . P D 0.089(3) B 2
H H10D 0.7961 0.5414 0.3493 0.056 Uiso calc U P R 0.089(3) B 2
H H10E 0.8595 0.4808 0.3847 0.056 Uiso calc U P R 0.089(3) B 2
H H10F 0.7852 0.5082 0.4362 0.056 Uiso calc U P R 0.089(3) B 2


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.323(9) ?
C1 N1 . 1.409(6) ?
C20 C19A . 1.524(16) ?
C20 C19 . 1.535(17) ?
C14 C13A . 1.515(12) ?
C14 C13 . 1.550(12) ?
C9 C7 . 1.534(8) ?
C9 C7A . 1.538(16) ?
C13 C15 . 1.516(15) ?
C13 C16 . 1.522(17) ?
C13 P2 . 1.872(10) ?
C19 C21 . 1.535(16) ?
C19 C22 . 1.54(2) ?
C19 P3 . 1.899(16) ?
C13A C16A . 1.516(15) ?
C13A C15A . 1.561(15) ?
C13A P2 . 1.915(11) ?
C19A C22A . 1.530(16) ?
C19A C21A . 1.547(19) ?
C19A P3 . 1.845(15) ?
C2 P1 . 1.799(6) ?
C5 C3 . 1.511(8) ?
C5 C3A . 1.536(15) ?
C11 C12 . 1.337(10) ?
C11 N2 . 1.419(9) ?
C12 P2 . 1.806(8) ?
C17 C18 . 1.338(10) ?
C17 N2 . 1.395(9) ?
C18 P3 . 1.791(8) ?
N1 C1 7_565 1.409(6) ?
N1 Os1A . 1.957(10) ?
N1 Os1 . 1.966(6) ?
N2 Os2 . 1.970(5) ?
P1 C7 . 1.875(6) ?
P1 C7A . 1.885(19) ?
P1 C3 . 1.885(6) ?
P1 C3A . 1.888(19) ?
P1 Os1 . 2.3899(13) ?
P1 Os1A . 2.3924(18) ?
P2 C13 7_565 1.872(10) ?
P2 C13A 7_565 1.915(11) ?
P2 Os2 . 2.3845(17) ?
P3 C19A 7_565 1.845(15) ?
P3 C19 7_565 1.899(16) ?
P3 Os2 . 2.3904(18) ?
Os2 Cl3 . 2.304(3) ?
Os2 Cl4 . 2.382(2) ?
Cl1 Os1 . 2.380(3) ?
Cl2 Os1 . 2.319(2) ?
Os1 P1 7_565 2.3899(13) ?
C3 C4 . 1.527(7) ?
C3 C6 . 1.538(7) ?
C7 C10 . 1.531(8) ?
C7 C8 . 1.539(8) ?
Cl1A Os1A . 2.40(3) ?
Cl2A Os1A . 2.28(2) ?
Os1A P1 7_565 2.3924(18) ?
C3A C4A . 1.527(15) ?
C3A C6A . 1.527(15) ?
C7A C10A . 1.541(16) ?
C7A C8A . 1.549(16) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 N1 . . 122.1(5) ?
C15 C13 C16 . . 109.3(10) ?
C15 C13 C14 . . 110.4(8) ?
C16 C13 C14 . . 106.9(9) ?
C15 C13 P2 . . 115.6(9) ?
C16 C13 P2 . . 104.9(7) ?
C14 C13 P2 . . 109.3(6) ?
C21 C19 C20 . . 107.5(10) ?
C21 C19 C22 . . 107.9(12) ?
C20 C19 C22 . . 110.6(12) ?
C21 C19 P3 . . 114.6(10) ?
C20 C19 P3 . . 108.5(9) ?
C22 C19 P3 . . 107.7(9) ?
C14 C13A C16A . . 113.9(9) ?
C14 C13A C15A . . 107.6(9) ?
C16A C13A C15A . . 107.1(10) ?
C14 C13A P2 . . 108.7(7) ?
C16A C13A P2 . . 113.6(8) ?
C15A C13A P2 . . 105.4(7) ?
C20 C19A C22A . . 112.0(11) ?
C20 C19A C21A . . 106.9(10) ?
C22A C19A C21A . . 108.5(12) ?
C20 C19A P3 . . 111.7(9) ?
C22A C19A P3 . . 112.9(10) ?
C21A C19A P3 . . 104.4(9) ?
C1 C2 P1 . . 115.6(4) ?
C12 C11 N2 . . 122.5(7) ?
C11 C12 P2 . . 115.1(6) ?
C18 C17 N2 . . 121.2(7) ?
C17 C18 P3 . . 115.7(6) ?
C1 N1 C1 7_565 . 116.9(6) ?
C1 N1 Os1A 7_565 . 120.8(3) ?
C1 N1 Os1A . . 120.8(3) ?
C1 N1 Os1 7_565 . 121.5(3) ?
C1 N1 Os1 . . 121.5(3) ?
C17 N2 C11 . . 116.8(6) ?
C17 N2 Os2 . . 122.4(5) ?
C11 N2 Os2 . . 120.5(4) ?
C2 P1 C7 . . 105.4(3) ?
C2 P1 C7A . . 105.4(6) ?
C2 P1 C3 . . 103.9(3) ?
C7 P1 C3 . . 110.5(3) ?
C2 P1 C3A . . 104.0(6) ?
C7A P1 C3A . . 111.0(7) ?
C2 P1 Os1 . . 98.2(2) ?
C7 P1 Os1 . . 123.55(19) ?
C3 P1 Os1 . . 112.31(18) ?
C2 P1 Os1A . . 97.5(3) ?
C7A P1 Os1A . . 112.9(9) ?
C3A P1 Os1A . . 122.9(8) ?
C12 P2 C13 . 7_565 105.3(4) ?
C12 P2 C13 . . 105.3(4) ?
C13 P2 C13 7_565 . 86.7(8) ?
C12 P2 C13A . . 104.3(4) ?
C12 P2 C13A . 7_565 104.3(4) ?
C13A P2 C13A . 7_565 129.9(7) ?
C12 P2 Os2 . . 98.3(2) ?
C18 P3 C19A . 7_565 105.0(5) ?
C18 P3 C19A . . 105.0(5) ?
C19A P3 C19A 7_565 . 127.4(10) ?
C18 P3 C19 . . 104.8(5) ?
C18 P3 C19 . 7_565 104.8(5) ?
C19 P3 C19 . 7_565 93.5(9) ?
C18 P3 Os2 . . 98.4(2) ?
N2 Os2 Cl3 . . 103.66(9) ?
N2 Os2 Cl4 . . 160.80(9) ?
Cl3 Os2 Cl4 . . 95.54(10) ?
N2 Os2 P2 . . 82.94(17) ?
Cl3 Os2 P2 . . 94.62(7) ?
Cl4 Os2 P2 . . 95.75(7) ?
N2 Os2 P3 . . 81.65(18) ?
Cl3 Os2 P3 . . 96.44(7) ?
Cl4 Os2 P3 . . 96.27(8) ?
P2 Os2 P3 . . 162.78(6) ?
N1 Os1 Cl2 . . 106.82(19) ?
N1 Os1 Cl1 . . 160.16(19) ?
Cl2 Os1 Cl1 . . 93.02(10) ?
N1 Os1 P1 . 7_565 82.22(4) ?
Cl2 Os1 P1 . 7_565 96.39(4) ?
Cl1 Os1 P1 . 7_565 95.85(4) ?
N1 Os1 P1 . . 82.22(4) ?
Cl2 Os1 P1 . . 96.39(4) ?
Cl1 Os1 P1 . . 95.84(4) ?
P1 Os1 P1 7_565 . 162.17(7) ?
C5 C3 C4 . . 110.4(5) ?
C5 C3 C6 . . 108.0(5) ?
C4 C3 C6 . . 108.4(5) ?
C5 C3 P1 . . 111.4(4) ?
C4 C3 P1 . . 113.4(4) ?
C6 C3 P1 . . 105.0(4) ?
C10 C7 C9 . . 110.1(5) ?
C10 C7 C8 . . 108.2(5) ?
C9 C7 C8 . . 109.7(6) ?
C10 C7 P1 . . 106.4(4) ?
C9 C7 P1 . . 108.1(4) ?
C8 C7 P1 . . 114.3(4) ?
N1 Os1A Cl2A . . 103.7(8) ?
N1 Os1A P1 . 7_565 82.34(19) ?
Cl2A Os1A P1 . 7_565 96.9(2) ?
N1 Os1A P1 . . 82.34(19) ?
Cl2A Os1A P1 . . 96.9(2) ?
P1 Os1A P1 7_565 . 161.4(4) ?
N1 Os1A Cl1A . . 162.5(10) ?
Cl2A Os1A Cl1A . . 93.8(11) ?
P1 Os1A Cl1A 7_565 . 95.7(2) ?
P1 Os1A Cl1A . . 95.7(2) ?
C4A C3A C6A . . 108.6(14) ?
C4A C3A C5 . . 109.0(14) ?
C6A C3A C5 . . 108.8(14) ?
C4A C3A P1 . . 108.(3) ?
C6A C3A P1 . . 113.(3) ?
C5 C3A P1 . . 110.1(11) ?
C9 C7A C10A . . 107.9(14) ?
C9 C7A C8A . . 107.1(14) ?
C10A C7A C8A . . 107.9(14) ?
C9 C7A P1 . . 107.4(11) ?
C10A C7A P1 . . 119.(3) ?
C8A C7A P1 . . 107.(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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N1 C1 C2 P1 . . . . -1.0(8) ?
N2 C11 C12 P2 . . . . 0.000(2) ?
N2 C17 C18 P3 . . . . 0.000(2) ?
C2 C1 N1 C1 . . . 7_565 177.9(4) ?
C2 C1 N1 Os1A . . . . 11.8(9) ?
C2 C1 N1 Os1 . . . . -4.3(9) ?
C18 C17 N2 C11 . . . . 180.000(2) ?
C18 C17 N2 Os2 . . . . 6.53(6) ?
C12 C11 N2 C17 . . . . 180.000(2) ?
C12 C11 N2 Os2 . . . . -6.39(6) ?
C1 C2 P1 C7 . . . . 132.5(5) ?
C1 C2 P1 C7A . . . . 109.2(10) ?
C1 C2 P1 C3 . . . . -111.2(5) ?
C1 C2 P1 C3A . . . . -133.8(10) ?
C1 C2 P1 Os1 . . . . 4.3(5) ?
C1 C2 P1 Os1A . . . . -7.1(6) ?
C11 C12 P2 C13 . . . 7_565 -134.6(4) ?
C11 C12 P2 C13 . . . . 134.6(4) ?
C11 C12 P2 C13A . . . . 110.8(4) ?
C11 C12 P2 C13A . . . 7_565 -110.8(4) ?
C11 C12 P2 Os2 . . . . 4.59(3) ?
C15 C13 P2 C12 . . . . 75.5(9) ?
C16 C13 P2 C12 . . . . -44.9(9) ?
C14 C13 P2 C12 . . . . -159.2(6) ?
C15 C13 P2 C13 . . . 7_565 -29.5(11) ?
C16 C13 P2 C13 . . . 7_565 -149.9(6) ?
C14 C13 P2 C13 . . . 7_565 95.8(7) ?
C17 C18 P3 C19A . . . 7_565 111.9(5) ?
C17 C18 P3 C19A . . . . -111.9(5) ?
C17 C18 P3 C19 . . . . -131.1(5) ?
C17 C18 P3 C19 . . . 7_565 131.1(5) ?
C17 C18 P3 Os2 . . . . -4.58(3) ?
C20 C19A P3 C18 . . . . -168.9(7) ?
C22A C19A P3 C18 . . . . -41.6(12) ?
C21A C19A P3 C18 . . . . 76.0(8) ?
C20 C19A P3 C19A . . . 7_565 -46.2(15) ?
C22A C19A P3 C19A . . . 7_565 81.1(14) ?
C21A C19A P3 C19A . . . 7_565 -161.3(6) ?
C21 C19 P3 C18 . . . . -75.5(11) ?
C20 C19 P3 C18 . . . . 164.4(7) ?
C22 C19 P3 C18 . . . . 44.6(10) ?
C21 C19 P3 C19 . . . 7_565 30.8(15) ?
C20 C19 P3 C19 . . . 7_565 -89.3(9) ?
C22 C19 P3 C19 . . . 7_565 150.9(6) ?
C2 P1 C3 C5 . . . . -166.0(4) ?
C7 P1 C3 C5 . . . . -53.4(5) ?
Os1 P1 C3 C5 . . . . 88.9(4) ?
C2 P1 C3 C4 . . . . -40.8(5) ?
C7 P1 C3 C4 . . . . 71.8(5) ?
Os1 P1 C3 C4 . . . . -145.9(4) ?
C2 P1 C3 C6 . . . . 77.4(4) ?
C7 P1 C3 C6 . . . . -170.1(4) ?
Os1 P1 C3 C6 . . . . -27.7(4) ?
C2 P1 C7 C10 . . . . -47.0(5) ?
C3 P1 C7 C10 . . . . -158.7(4) ?
Os1 P1 C7 C10 . . . . 64.1(5) ?
C2 P1 C7 C9 . . . . -165.2(4) ?
C3 P1 C7 C9 . . . . 83.2(5) ?
Os1 P1 C7 C9 . . . . -54.1(5) ?
C2 P1 C7 C8 . . . . 72.3(6) ?
C3 P1 C7 C8 . . . . -39.3(6) ?
Os1 P1 C7 C8 . . . . -176.6(4) ?
C2 P1 C3A C4A . . . . 42.3(15) ?
C7A P1 C3A C4A . . . . 155.3(15) ?
Os1A P1 C3A C4A . . . . -66.5(17) ?
C2 P1 C3A C6A . . . . -77.4(16) ?
C7A P1 C3A C6A . . . . 35.6(18) ?
Os1A P1 C3A C6A . . . . 173.8(16) ?
C2 P1 C3A C5 . . . . 161.0(13) ?
C7A P1 C3A C5 . . . . -86.1(13) ?
Os1A P1 C3A C5 . . . . 52.2(19) ?
C2 P1 C7A C9 . . . . 163.9(12) ?
C3A P1 C7A C9 . . . . 51.8(17) ?
Os1A P1 C7A C9 . . . . -90.8(14) ?
C2 P1 C7A C10A . . . . 41.1(18) ?
C3A P1 C7A C10A . . . . -70.9(19) ?
Os1A P1 C7A C10A . . . . 146.4(17) ?
C2 P1 C7A C8A . . . . -81.3(15) ?
C3A P1 C7A C8A . . . . 166.6(16) ?
Os1A P1 C7A C8A . . . . 24.0(16) ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 1534961'
_audit_update_record             
;
2017-02-27 deposited with the CCDC.
2017-04-06 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            JA-i-94
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H49 Cl N2 Os P2'
_chemical_formula_iupac          ?
_chemical_formula_weight         665.25

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.2391(7)
_cell_length_b                   10.9698(5)
_cell_length_c                   16.9742(8)
_cell_angle_alpha                90
_cell_angle_beta                 96.832(2)
_cell_angle_gamma                90
_cell_volume                     2817.4(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8947
_cell_measurement_theta_min      2.2049
_cell_measurement_theta_max      40.9183
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            'clear intense blue'
_exptl_crystal_size_max          0.947
_exptl_crystal_size_mid          0.766
_exptl_crystal_size_min          0.556
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1344

_exptl_absorpt_coefficient_mu    4.750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.14
_exptl_absorpt_correction_T_max  0.75

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'microfucus sealed tube'
_diffrn_source_type              'INCOATEC microfocus sealed tube'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'multilayer optics'

_diffrn_measurement_device_type  'Bruker D8 Venture CMOS'
_diffrn_measurement_method       'omega and phi scans'

_diffrn_detector_area_resol_mean 10.4167

_diffrn_reflns_number            76131
_diffrn_reflns_av_R_equivalents  0.0694
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_theta_min         2.21
_diffrn_reflns_theta_max         27.20
_diffrn_reflns_theta_full        27.20
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21

_refine_special_details          
;
;

_reflns_number_total             6264
_reflns_number_gt                5640
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0290
_refine_ls_wR_factor_gt          0.0755
_refine_ls_wR_factor_ref         0.0797
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.067
_refine_ls_number_reflns         6264
_refine_ls_number_parameters     283
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0405P)²+11.8558P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.645
_refine_diff_density_min         -2.020
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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'

_computing_data_collection       'Bruker Instrument Service v4.2.3'
_computing_cell_refinement       'APEX2 v2014.9-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os Os1 0.23038(2) 0.59978(2) 0.41595(2) 0.00563(6) Uani d . . . 1 . .
Cl Cl1 0.19742(6) 0.70427(9) 0.29141(5) 0.01273(19) Uani d . . . 1 . .
P P1 0.18624(6) 0.40113(9) 0.37032(6) 0.00795(19) Uani d . . . 1 . .
C C1 0.2013(3) 0.3976(4) 0.5279(2) 0.0121(8) Uani d . . . 1 . .
H H1 0.1989 0.3625 0.5788 0.015 Uiso calc U . R 1 . .
N N1 0.4244(2) 0.5670(3) 0.3996(2) 0.0107(5) Uani d . . . 1 . .
P P2 0.25061(6) 0.77442(9) 0.49818(6) 0.00777(19) Uani d . . . 1 . .
N N2 0.2214(2) 0.5186(3) 0.52345(18) 0.0081(6) Uani d . . . 1 . .
C C2 0.1848(3) 0.3255(4) 0.4634(2) 0.0126(8) Uani d . . . 1 . .
H H2 0.1732 0.2408 0.4672 0.015 Uiso calc U . R 1 . .
C C3 0.2592(3) 0.3080(4) 0.3115(2) 0.0131(8) Uani d . . . 1 . .
C C4 0.3416(3) 0.2744(4) 0.3688(3) 0.0162(9) Uani d . . . 1 . .
H H4A 0.384 0.2317 0.3396 0.024 Uiso calc U . R 1 . .
H H4B 0.3244 0.2214 0.4108 0.024 Uiso calc U . R 1 . .
H H4C 0.3687 0.3489 0.3924 0.024 Uiso calc U . R 1 . .
C C5 0.2185(3) 0.1892(4) 0.2767(3) 0.0189(9) Uani d . . . 1 . .
H H5A 0.1696 0.208 0.2357 0.028 Uiso calc U . R 1 . .
H H5B 0.1963 0.1414 0.3189 0.028 Uiso calc U . R 1 . .
H H5C 0.2636 0.1422 0.2534 0.028 Uiso calc U . R 1 . .
C C19 0.1447(3) 0.9595(4) 0.4204(2) 0.0153(8) Uani d . . . 1 . .
H H19A 0.1567 0.9171 0.372 0.023 Uiso calc U . R 1 . .
H H19B 0.1901 1.0217 0.4341 0.023 Uiso calc U . R 1 . .
H H19C 0.0865 0.9984 0.4116 0.023 Uiso calc U . R 1 . .
C C18 0.1303(3) 0.9327(4) 0.5655(3) 0.0158(8) Uani d . . . 1 . .
H H18A 0.1737 0.9983 0.5764 0.024 Uiso calc U . R 1 . .
H H18B 0.1365 0.8745 0.6096 0.024 Uiso calc U . R 1 . .
H H18C 0.0705 0.9673 0.5596 0.024 Uiso calc U . R 1 . .
C C9 0.0585(3) 0.4308(5) 0.2367(3) 0.0232(10) Uani d . . . 1 . .
H H9A 0.0855 0.3689 0.2057 0.035 Uiso calc U . R 1 . .
H H9B 0.0883 0.5092 0.2318 0.035 Uiso calc U . R 1 . .
H H9C -0.0043 0.4391 0.2169 0.035 Uiso calc U . R 1 . .
C C8 0.0251(3) 0.2678(4) 0.3325(3) 0.0194(9) Uani d . . . 1 . .
H H8A -0.0381 0.2726 0.3137 0.029 Uiso calc U . R 1 . .
H H8B 0.033 0.2436 0.3885 0.029 Uiso calc U . R 1 . .
H H8C 0.0532 0.2074 0.3011 0.029 Uiso calc U . R 1 . .
C C7 0.0678(3) 0.3926(4) 0.3237(3) 0.0129(6) Uani d . . . 1 . .
C C6 0.2855(3) 0.3875(4) 0.2436(3) 0.0165(9) Uani d . . . 1 . .
H H6A 0.3304 0.3451 0.2171 0.025 Uiso calc U . R 1 . .
H H6B 0.3096 0.4651 0.2651 0.025 Uiso calc U . R 1 . .
H H6C 0.2334 0.4032 0.2053 0.025 Uiso calc U . R 1 . .
C C11 0.2355(3) 0.5855(4) 0.5928(2) 0.0112(8) Uani d . . . 1 . .
H H11 0.2327 0.5448 0.6418 0.013 Uiso calc U . R 1 . .
C C10 0.0183(3) 0.4852(4) 0.3695(3) 0.0225(10) Uani d . . . 1 . .
H H10A 0.0375 0.5678 0.3578 0.034 Uiso calc U . R 1 . .
H H10B 0.0311 0.4695 0.4265 0.034 Uiso calc U . R 1 . .
H H10C -0.0454 0.4775 0.3534 0.034 Uiso calc U . R 1 . .
C C17 0.1461(3) 0.8673(4) 0.4887(2) 0.0112(8) Uani d . . . 1 . .
C C16 0.3650(3) 0.9124(4) 0.4179(3) 0.0158(9) Uani d . . . 1 . .
H H16A 0.3644 0.8393 0.3847 0.024 Uiso calc U . R 1 . .
H H16B 0.4223 0.9533 0.419 0.024 Uiso calc U . R 1 . .
H H16C 0.3179 0.9679 0.3959 0.024 Uiso calc U . R 1 . .
C C15 0.3442(3) 0.9900(4) 0.5540(3) 0.0176(9) Uani d . . . 1 . .
H H15A 0.4016 1.0312 0.5608 0.026 Uiso calc U . R 1 . .
H H15B 0.328 0.9663 0.6061 0.026 Uiso calc U . R 1 . .
H H15C 0.2992 1.0453 0.528 0.026 Uiso calc U . R 1 . .
C C14 0.4284(3) 0.8004(4) 0.5405(3) 0.0175(9) Uani d . . . 1 . .
H H14A 0.431 0.7234 0.5116 0.026 Uiso calc U . R 1 . .
H H14B 0.4211 0.7834 0.596 0.026 Uiso calc U . R 1 . .
H H14C 0.4832 0.8461 0.538 0.026 Uiso calc U . R 1 . .
C C13 0.3498(3) 0.8760(4) 0.5027(2) 0.0129(6) Uani d . . . 1 . .
C C12 0.2529(3) 0.7052(4) 0.5939(2) 0.0127(8) Uani d . . . 1 . .
H H12 0.2656 0.7499 0.6418 0.015 Uiso calc U . R 1 . .
C C20 0.0728(3) 0.7743(4) 0.4675(3) 0.0177(9) Uani d . . . 1 . .
H H20A 0.0765 0.7429 0.4139 0.027 Uiso calc U . R 1 . .
H H20B 0.0152 0.8133 0.4693 0.027 Uiso calc U . R 1 . .
H H20C 0.0795 0.7068 0.5055 0.027 Uiso calc U . R 1 . .
C C21 0.3476(3) 0.5809(4) 0.4055(2) 0.0107(5) Uani d . . . 1 . .
C C22 0.4947(3) 0.5923(4) 0.3500(3) 0.0141(8) Uani d . . . 1 . .
C C23 0.5689(3) 0.6572(6) 0.4014(3) 0.0313(12) Uani d . . . 1 . .
H H23A 0.6192 0.6685 0.3711 0.047 Uiso calc U . R 1 . .
H H23B 0.5873 0.6081 0.4487 0.047 Uiso calc U . R 1 . .
H H23C 0.548 0.7369 0.4174 0.047 Uiso calc U . R 1 . .
C C24 0.5272(3) 0.4727(4) 0.3200(3) 0.0282(11) Uani d . . . 1 . .
H H24A 0.4782 0.4303 0.2889 0.042 Uiso calc U . R 1 . .
H H24B 0.5505 0.4219 0.3652 0.042 Uiso calc U . R 1 . .
H H24C 0.5741 0.4884 0.2865 0.042 Uiso calc U . R 1 . .
C C25 0.4589(3) 0.6721(5) 0.2801(3) 0.0255(10) Uani d . . . 1 . .
H H25A 0.5051 0.6846 0.2453 0.038 Uiso calc U . R 1 . .
H H25B 0.4406 0.7511 0.2997 0.038 Uiso calc U . R 1 . .
H H25C 0.4079 0.6319 0.2502 0.038 Uiso calc U . R 1 . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Os1 C21 . 1.827(4) ?
Os1 N2 . 2.050(3) ?
Os1 P2 . 2.3688(10) ?
Os1 P1 . 2.3827(10) ?
Os1 Cl1 . 2.4046(9) ?
P1 C2 . 1.787(4) ?
P1 C3 . 1.882(4) ?
P1 C7 . 1.885(4) ?
C1 C2 . 1.350(6) ?
C1 N2 . 1.366(5) ?
C1 H1 . 0.95 ?
N1 C21 . 1.197(5) ?
N1 C22 . 1.466(5) ?
P2 C12 . 1.790(4) ?
P2 C13 . 1.872(4) ?
P2 C17 . 1.881(4) ?
N2 C11 . 1.382(5) ?
C2 H2 . 0.95 ?
C3 C5 . 1.530(6) ?
C3 C6 . 1.536(6) ?
C3 C4 . 1.539(6) ?
C4 H4A . 0.98 ?
C4 H4B . 0.98 ?
C4 H4C . 0.98 ?
C5 H5A . 0.98 ?
C5 H5B . 0.98 ?
C5 H5C . 0.98 ?
C19 C17 . 1.537(6) ?
C19 H19A . 0.98 ?
C19 H19B . 0.98 ?
C19 H19C . 0.98 ?
C18 C17 . 1.532(5) ?
C18 H18A . 0.98 ?
C18 H18B . 0.98 ?
C18 H18C . 0.98 ?
C9 C7 . 1.524(6) ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C8 C7 . 1.530(6) ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C7 C10 . 1.532(6) ?
C6 H6A . 0.98 ?
C6 H6B . 0.98 ?
C6 H6C . 0.98 ?
C11 C12 . 1.339(6) ?
C11 H11 . 0.95 ?
C10 H10A . 0.98 ?
C10 H10B . 0.98 ?
C10 H10C . 0.98 ?
C17 C20 . 1.525(6) ?
C16 C13 . 1.539(6) ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
C15 C13 . 1.532(6) ?
C15 H15A . 0.98 ?
C15 H15B . 0.98 ?
C15 H15C . 0.98 ?
C14 C13 . 1.532(6) ?
C14 H14A . 0.98 ?
C14 H14B . 0.98 ?
C14 H14C . 0.98 ?
C12 H12 . 0.95 ?
C20 H20A . 0.98 ?
C20 H20B . 0.98 ?
C20 H20C . 0.98 ?
C22 C24 . 1.512(6) ?
C22 C23 . 1.520(6) ?
C22 C25 . 1.522(6) ?
C23 H23A . 0.98 ?
C23 H23B . 0.98 ?
C23 H23C . 0.98 ?
C24 H24A . 0.98 ?
C24 H24B . 0.98 ?
C24 H24C . 0.98 ?
C25 H25A . 0.98 ?
C25 H25B . 0.98 ?
C25 H25C . 0.98 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C21 Os1 N2 . . 101.93(15) ?
C21 Os1 P2 . . 95.07(13) ?
N2 Os1 P2 . . 81.07(9) ?
C21 Os1 P1 . . 96.11(13) ?
N2 Os1 P1 . . 81.12(9) ?
P2 Os1 P1 . . 160.58(3) ?
C21 Os1 Cl1 . . 94.20(12) ?
N2 Os1 Cl1 . . 163.87(9) ?
P2 Os1 Cl1 . . 97.55(3) ?
P1 Os1 Cl1 . . 97.40(3) ?
C2 P1 C3 . . 106.72(19) ?
C2 P1 C7 . . 103.67(19) ?
C3 P1 C7 . . 110.26(19) ?
C2 P1 Os1 . . 99.78(14) ?
C3 P1 Os1 . . 120.49(13) ?
C7 P1 Os1 . . 113.66(13) ?
C2 C1 N2 . . 123.0(4) ?
C2 C1 H1 . . 118.5 ?
N2 C1 H1 . . 118.5 ?
C21 N1 C22 . . 144.4(4) ?
C12 P2 C13 . . 106.64(19) ?
C12 P2 C17 . . 103.45(18) ?
C13 P2 C17 . . 110.64(19) ?
C12 P2 Os1 . . 100.30(14) ?
C13 P2 Os1 . . 123.60(14) ?
C17 P2 Os1 . . 109.77(13) ?
C1 N2 C11 . . 118.8(3) ?
C1 N2 Os1 . . 120.7(3) ?
C11 N2 Os1 . . 120.5(3) ?
C1 C2 P1 . . 115.1(3) ?
C1 C2 H2 . . 122.4 ?
P1 C2 H2 . . 122.4 ?
C5 C3 C6 . . 109.0(3) ?
C5 C3 C4 . . 107.6(3) ?
C6 C3 C4 . . 110.1(3) ?
C5 C3 P1 . . 115.4(3) ?
C6 C3 P1 . . 108.3(3) ?
C4 C3 P1 . . 106.5(3) ?
C3 C4 H4A . . 109.5 ?
C3 C4 H4B . . 109.5 ?
H4A C4 H4B . . 109.5 ?
C3 C4 H4C . . 109.5 ?
H4A C4 H4C . . 109.5 ?
H4B C4 H4C . . 109.5 ?
C3 C5 H5A . . 109.5 ?
C3 C5 H5B . . 109.5 ?
H5A C5 H5B . . 109.5 ?
C3 C5 H5C . . 109.5 ?
H5A C5 H5C . . 109.5 ?
H5B C5 H5C . . 109.5 ?
C17 C19 H19A . . 109.5 ?
C17 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C17 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C17 C18 H18A . . 109.5 ?
C17 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
C17 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
C7 C9 H9A . . 109.5 ?
C7 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C7 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C7 C8 H8A . . 109.5 ?
C7 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C7 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C9 C7 C8 . . 110.5(4) ?
C9 C7 C10 . . 108.3(4) ?
C8 C7 C10 . . 107.6(4) ?
C9 C7 P1 . . 111.5(3) ?
C8 C7 P1 . . 113.6(3) ?
C10 C7 P1 . . 105.0(3) ?
C3 C6 H6A . . 109.5 ?
C3 C6 H6B . . 109.5 ?
H6A C6 H6B . . 109.5 ?
C3 C6 H6C . . 109.5 ?
H6A C6 H6C . . 109.5 ?
H6B C6 H6C . . 109.5 ?
C12 C11 N2 . . 122.9(4) ?
C12 C11 H11 . . 118.5 ?
N2 C11 H11 . . 118.5 ?
C7 C10 H10A . . 109.5 ?
C7 C10 H10B . . 109.5 ?
H10A C10 H10B . . 109.5 ?
C7 C10 H10C . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
C20 C17 C18 . . 109.2(3) ?
C20 C17 C19 . . 108.5(3) ?
C18 C17 C19 . . 110.1(4) ?
C20 C17 P2 . . 104.3(3) ?
C18 C17 P2 . . 113.5(3) ?
C19 C17 P2 . . 110.9(3) ?
C13 C16 H16A . . 109.5 ?
C13 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
C13 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C13 C15 H15A . . 109.5 ?
C13 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C13 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C13 C14 H14A . . 109.5 ?
C13 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C13 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
C14 C13 C15 . . 107.4(3) ?
C14 C13 C16 . . 109.6(3) ?
C15 C13 C16 . . 110.2(4) ?
C14 C13 P2 . . 106.4(3) ?
C15 C13 P2 . . 114.2(3) ?
C16 C13 P2 . . 109.0(3) ?
C11 C12 P2 . . 114.9(3) ?
C11 C12 H12 . . 122.6 ?
P2 C12 H12 . . 122.6 ?
C17 C20 H20A . . 109.5 ?
C17 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
C17 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
N1 C21 Os1 . . 178.9(4) ?
N1 C22 C24 . . 108.7(4) ?
N1 C22 C23 . . 107.7(3) ?
C24 C22 C23 . . 110.4(4) ?
N1 C22 C25 . . 109.8(3) ?
C24 C22 C25 . . 109.8(4) ?
C23 C22 C25 . . 110.6(4) ?
C22 C23 H23A . . 109.5 ?
C22 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C22 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C22 C24 H24A . . 109.5 ?
C22 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
C22 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
C22 C25 H25A . . 109.5 ?
C22 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
C22 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C2 C1 N2 C11 . . . . 178.6(4) ?
C2 C1 N2 Os1 . . . . -1.3(5) ?
N2 C1 C2 P1 . . . . -2.5(5) ?
C3 P1 C2 C1 . . . . 130.3(3) ?
C7 P1 C2 C1 . . . . -113.2(3) ?
Os1 P1 C2 C1 . . . . 4.2(3) ?
C2 P1 C3 C5 . . . . 74.9(3) ?
C7 P1 C3 C5 . . . . -37.0(4) ?
Os1 P1 C3 C5 . . . . -172.6(2) ?
C2 P1 C3 C6 . . . . -162.7(3) ?
C7 P1 C3 C6 . . . . 85.3(3) ?
Os1 P1 C3 C6 . . . . -50.2(3) ?
C2 P1 C3 C4 . . . . -44.4(3) ?
C7 P1 C3 C4 . . . . -156.4(3) ?
Os1 P1 C3 C4 . . . . 68.1(3) ?
C2 P1 C7 C9 . . . . -169.1(3) ?
C3 P1 C7 C9 . . . . -55.2(4) ?
Os1 P1 C7 C9 . . . . 83.6(3) ?
C2 P1 C7 C8 . . . . -43.4(3) ?
C3 P1 C7 C8 . . . . 70.5(3) ?
Os1 P1 C7 C8 . . . . -150.7(3) ?
C2 P1 C7 C10 . . . . 73.9(3) ?
C3 P1 C7 C10 . . . . -172.2(3) ?
Os1 P1 C7 C10 . . . . -33.4(3) ?
C1 N2 C11 C12 . . . . -178.0(4) ?
Os1 N2 C11 C12 . . . . 1.9(5) ?
C12 P2 C17 C20 . . . . -78.2(3) ?
C13 P2 C17 C20 . . . . 167.9(3) ?
Os1 P2 C17 C20 . . . . 28.1(3) ?
C12 P2 C17 C18 . . . . 40.5(4) ?
C13 P2 C17 C18 . . . . -73.3(3) ?
Os1 P2 C17 C18 . . . . 146.9(3) ?
C12 P2 C17 C19 . . . . 165.1(3) ?
C13 P2 C17 C19 . . . . 51.2(3) ?
Os1 P2 C17 C19 . . . . -88.6(3) ?
C12 P2 C13 C14 . . . . 47.6(3) ?
C17 P2 C13 C14 . . . . 159.4(3) ?
Os1 P2 C13 C14 . . . . -67.4(3) ?
C12 P2 C13 C15 . . . . -70.6(3) ?
C17 P2 C13 C15 . . . . 41.2(4) ?
Os1 P2 C13 C15 . . . . 174.4(2) ?
C12 P2 C13 C16 . . . . 165.7(3) ?
C17 P2 C13 C16 . . . . -82.5(3) ?
Os1 P2 C13 C16 . . . . 50.7(3) ?
N2 C11 C12 P2 . . . . 3.3(5) ?
C13 P2 C12 C11 . . . . -135.6(3) ?
C17 P2 C12 C11 . . . . 107.6(3) ?
Os1 P2 C12 C11 . . . . -5.8(3) ?
C21 N1 C22 C24 . . . . -116.0(7) ?
C21 N1 C22 C23 . . . . 124.5(7) ?
C21 N1 C22 C25 . . . . 4.1(8) ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 1534958'
_audit_update_record             
;
2017-02-27 deposited with the CCDC.
2017-04-06 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            JA-ii-81
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H40 Cl N O Os P2'
_chemical_formula_iupac          ?
_chemical_formula_weight         610.13
_chemical_absolute_configuration ?

_chemical_melting_point          ?

_space_group_crystal_system      tetragonal
_space_group_name_H-M_alt        'I 4'
_space_group_name_Hall           'I 4'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'

_cell_length_a                   12.0393(7)
_cell_length_b                   12.0393(7)
_cell_length_c                   8.5145(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1234.13(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9978
_cell_measurement_theta_min      2.3924
_cell_measurement_theta_max      27.8764
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            'dark brown'
_exptl_crystal_size_max          0.309
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.142
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             608

_exptl_absorpt_coefficient_mu    5.415
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.56
_exptl_absorpt_correction_T_max  0.75

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'microfucus sealed tube'
_diffrn_source_type              'INCOATEC microfocus sealed tube'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'multilayer optics'

_diffrn_measurement_device_type  'Bruker D8 Venture CMOS'
_diffrn_measurement_method       'omega and phi scans'

_diffrn_detector_area_resol_mean 10.4167

_diffrn_reflns_number            28153
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_av_unetI/netI     0.0424
_diffrn_reflns_theta_min         2.39
_diffrn_reflns_theta_max         33.14
_diffrn_reflns_theta_full        33.14
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       12

_refine_special_details          'Refined as a 2-component inversion twin.'

_reflns_number_total             2296
_reflns_number_gt                2055
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0355
_refine_ls_wR_factor_gt          0.0641
_refine_ls_wR_factor_ref         0.0685
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.055
_refine_ls_number_reflns         2296
_refine_ls_number_parameters     201
_refine_ls_number_restraints     310
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0308P)²+4.4853P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.354
_refine_diff_density_min         -1.026
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Refined as an inversion twin.'
_refine_ls_abs_structure_Flack   0.50(3)

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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_computing_data_collection       'Bruker Instrument Service v4.2.3'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os Os1 0.5 0.5 0.50719(18) 0.02797(12) Uani d TU P S 1 A .
Cl Cl1 0.5 0.5 0.7703(10) 0.081(3) Uani d TU P S 1 . .
N N1 0.5 0.5 0.250(2) 0.027(4) Uani d TU P S 1 A .
P P1 0.3616(3) 0.3616(3) 0.4575(4) 0.0256(6) Uani d U P D 0.5 . .
C C1 0.4310(13) 0.4309(13) 0.1789(16) 0.042(3) Uani d U P . 0.5 . .
H H1 0.4311 0.4309 0.0674 0.05 Uiso calc U P R 0.5 A .
C C2 0.3590(13) 0.3587(13) 0.2527(17) 0.040(3) Uani d U P . 0.5 A .
H H2 0.311 0.3106 0.1958 0.047 Uiso calc U P R 0.5 . .
C C3A 0.223(4) 0.424(3) 0.471(4) 0.055(6) Uani d U P D 0.25 A 1
C C4A 0.137(3) 0.375(4) 0.581(6) 0.071(9) Uani d U P D 0.25 A 1
H H4D 0.1708 0.3613 0.6843 0.106 Uiso calc U P R 0.25 A 1
H H4E 0.1101 0.3044 0.5378 0.106 Uiso calc U P R 0.25 A 1
H H4F 0.075 0.4267 0.5924 0.106 Uiso calc U P R 0.25 A 1
C C5A 0.226(3) 0.552(2) 0.476(4) 0.042(4) Uani d U P D 0.25 A 1
H H5D 0.1568 0.5798 0.5229 0.063 Uiso calc U P R 0.25 A 1
H H5E 0.2334 0.5812 0.3693 0.063 Uiso calc U P R 0.25 A 1
H H5F 0.2892 0.5769 0.5397 0.063 Uiso calc U P R 0.25 A 1
C C6A 0.166(4) 0.433(5) 0.310(6) 0.078(10) Uani d U P D 0.25 A 1
H H6D 0.2085 0.4839 0.2432 0.117 Uiso calc U P R 0.25 A 1
H H6E 0.0907 0.4609 0.3239 0.117 Uiso calc U P R 0.25 A 1
H H6F 0.1639 0.3593 0.261 0.117 Uiso calc U P R 0.25 A 1
C C7A 0.3750(16) 0.2136(17) 0.483(3) 0.034(5) Uani d U P D 0.25 A 1
C C9A 0.461(3) 0.177(3) 0.611(4) 0.061(8) Uani d U P D 0.25 A 1
H H9D 0.5265 0.2248 0.6046 0.091 Uiso calc U P R 0.25 A 1
H H9E 0.4818 0.0998 0.5937 0.091 Uiso calc U P R 0.25 A 1
H H9F 0.4268 0.1849 0.7154 0.091 Uiso calc U P R 0.25 A 1
C C10A 0.418(4) 0.159(3) 0.325(4) 0.078(10) Uani d U P D 0.25 A 1
H H10D 0.3549 0.1331 0.2625 0.117 Uiso calc U P R 0.25 A 1
H H10E 0.4665 0.0955 0.3496 0.117 Uiso calc U P R 0.25 A 1
H H10F 0.4605 0.2139 0.2645 0.117 Uiso calc U P R 0.25 A 1
C C8A 0.2647(18) 0.1511(18) 0.522(6) 0.048(6) Uani d U P D 0.25 A 1
H H8D 0.2162 0.1518 0.4292 0.072 Uiso calc U P R 0.25 A 1
H H8E 0.2271 0.1882 0.6094 0.072 Uiso calc U P R 0.25 A 1
H H8F 0.2814 0.0742 0.5508 0.072 Uiso calc U P R 0.25 A 1
C C5 0.2090(17) 0.406(2) 0.695(3) 0.023(4) Uani d U P . 0.25 A 2
H H5A 0.2669 0.461 0.7188 0.034 Uiso calc U P R 0.25 A 2
H H5B 0.2197 0.3402 0.7597 0.034 Uiso calc U P R 0.25 A 2
H H5C 0.1359 0.4386 0.7163 0.034 Uiso calc U P R 0.25 A 2
C C3 0.2161(18) 0.375(2) 0.524(4) 0.033(3) Uani d U P . 0.25 A 2
C C4 0.148(2) 0.266(2) 0.483(3) 0.035(7) Uani d U P . 0.25 A 2
H H4A 0.0727 0.2864 0.4484 0.053 Uiso calc U P R 0.25 A 2
H H4B 0.1427 0.2185 0.5762 0.053 Uiso calc U P R 0.25 A 2
H H4C 0.1853 0.2252 0.3984 0.053 Uiso calc U P R 0.25 A 2
C C7 0.427(2) 0.227(2) 0.517(3) 0.042(4) Uani d U P D 0.25 A 2
C C8 0.381(3) 0.124(3) 0.430(3) 0.051(6) Uani d U P D 0.25 A 2
H H8A 0.3605 0.1442 0.3226 0.076 Uiso calc U P R 0.25 A 2
H H8B 0.3152 0.0957 0.4854 0.076 Uiso calc U P R 0.25 A 2
H H8C 0.4381 0.0658 0.4277 0.076 Uiso calc U P R 0.25 A 2
C C9 0.5562(18) 0.229(3) 0.494(4) 0.033(3) Uani d U P D 0.25 A 2
H H9A 0.5733 0.2363 0.382 0.05 Uiso calc U P R 0.25 A 2
H H9B 0.5882 0.1602 0.5347 0.05 Uiso calc U P R 0.25 A 2
H H9C 0.5876 0.2927 0.551 0.05 Uiso calc U P R 0.25 A 2
C C6 0.168(3) 0.463(3) 0.420(5) 0.051(6) Uani d U P . 0.25 A 2
H H6A 0.1455 0.5265 0.4834 0.077 Uiso calc U P R 0.25 A 2
H H6B 0.1035 0.4328 0.364 0.077 Uiso calc U P R 0.25 A 2
H H6C 0.2243 0.4863 0.3431 0.077 Uiso calc U P R 0.25 A 2
C C10 0.4063(18) 0.2098(17) 0.697(2) 0.023(4) Uani d U P D 0.25 A 2
H H10A 0.3282 0.191 0.7148 0.035 Uiso calc U P R 0.25 A 2
H H10B 0.4246 0.2783 0.7535 0.035 Uiso calc U P R 0.25 A 2
H H10C 0.4536 0.1492 0.7349 0.035 Uiso calc U P R 0.25 A 2
C C11 0.392(2) 0.393(2) 0.531(3) 0.030(4) Uani d U P . 0.25 . .
O O1 0.3231(16) 0.3209(16) 0.481(2) 0.034(3) Uani d U P . 0.25 A .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Os1 C11 2_665 1.85(3) ?
Os1 C11 4_565 1.85(3) ?
Os1 C11 . 1.85(3) ?
Os1 C11 3_655 1.85(3) ?
Os1 N1 . 2.19(2) ?
Os1 Cl1 . 2.240(9) ?
Os1 P1 . 2.394(4) ?
Os1 P1 4_565 2.394(4) ?
Os1 P1 3_655 2.394(4) ?
Os1 P1 2_665 2.394(4) ?
N1 C1 2_665 1.322(17) ?
N1 C1 . 1.322(17) ?
N1 C1 4_565 1.322(17) ?
N1 C1 3_655 1.322(17) ?
P1 O1 . 0.704(19) ?
P1 C2 . 1.744(15) ?
P1 C7A . 1.80(2) ?
P1 C3A . 1.83(5) ?
P1 C3 . 1.85(2) ?
P1 C7 . 1.87(3) ?
C1 C2 . 1.379(19) ?
C1 H1 . 0.95 ?
C2 H2 . 0.95 ?
C3A C4A . 1.52(4) ?
C3A C6A . 1.54(4) ?
C3A C5A . 1.54(3) ?
C4A H4D . 0.98 ?
C4A H4E . 0.98 ?
C4A H4F . 0.98 ?
C5A O1 4_565 1.89(4) ?
C5A H5D . 0.98 ?
C5A H5E . 0.98 ?
C5A H5F . 0.98 ?
C6A H6D . 0.98 ?
C6A H6E . 0.98 ?
C6A H6F . 0.98 ?
C7A O1 . 1.43(3) ?
C7A C9A . 1.56(2) ?
C7A C8A . 1.56(2) ?
C7A C10A . 1.59(2) ?
C9A H9D . 0.98 ?
C9A H9E . 0.98 ?
C9A H9F . 0.98 ?
C10A H10D . 0.98 ?
C10A H10E . 0.98 ?
C10A H10F . 0.98 ?
C8A H8D . 0.98 ?
C8A H8E . 0.98 ?
C8A H8F . 0.98 ?
C5 C3 . 1.51(4) ?
C5 H5A . 0.98 ?
C5 H5B . 0.98 ?
C5 H5C . 0.98 ?
C3 C9 4_565 0.88(4) ?
C3 O1 . 1.49(3) ?
C3 C6 . 1.50(4) ?
C3 C4 . 1.59(3) ?
C4 H4A . 0.98 ?
C4 H4B . 0.98 ?
C4 H4C . 0.98 ?
C7 C8 . 1.55(2) ?
C7 C10 . 1.56(2) ?
C7 C9 . 1.57(2) ?
C7 O1 . 1.71(3) ?
C7 C6 3_655 1.73(5) ?
C7 C11 . 2.04(4) ?
C8 C6 3_655 1.96(5) ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C6 C8 4_565 1.96(5) ?
C6 H6A . 0.98 ?
C6 H6B . 0.98 ?
C6 H6C . 0.98 ?
C10 H10A . 0.98 ?
C10 H10B . 0.98 ?
C10 H10C . 0.98 ?
C11 O1 . 1.27(3) ?
O1 C9 4_565 1.87(3) ?
O1 C5A 3_655 1.89(4) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C11 Os1 C11 2_665 4_565 89.3(2) ?
C11 Os1 C11 2_665 . 167.3(18) ?
C11 Os1 C11 4_565 . 89.3(2) ?
C11 Os1 C11 2_665 3_655 89.3(2) ?
C11 Os1 C11 4_565 3_655 167.3(18) ?
C11 Os1 C11 . 3_655 89.3(2) ?
C11 Os1 N1 2_665 . 96.4(9) ?
C11 Os1 N1 4_565 . 96.4(9) ?
C11 Os1 N1 . . 96.4(9) ?
C11 Os1 N1 3_655 . 96.4(9) ?
C11 Os1 Cl1 2_665 . 83.6(9) ?
C11 Os1 Cl1 4_565 . 83.6(9) ?
C11 Os1 Cl1 . . 83.6(9) ?
C11 Os1 Cl1 3_655 . 83.6(9) ?
N1 Os1 Cl1 . . 180.0 ?
C11 Os1 P1 2_665 . 176.2(9) ?
C11 Os1 P1 4_565 . 91.4(9) ?
C11 Os1 P1 . . 16.5(9) ?
C11 Os1 P1 3_655 . 90.8(8) ?
N1 Os1 P1 . . 79.81(8) ?
Cl1 Os1 P1 . . 100.19(8) ?
C11 Os1 P1 2_665 4_565 91.4(9) ?
C11 Os1 P1 4_565 4_565 16.5(9) ?
C11 Os1 P1 . 4_565 90.8(8) ?
C11 Os1 P1 3_655 4_565 176.2(9) ?
N1 Os1 P1 . 4_565 79.81(8) ?
Cl1 Os1 P1 . 4_565 100.19(8) ?
P1 Os1 P1 . 4_565 88.21(3) ?
C11 Os1 P1 2_665 3_655 90.8(8) ?
C11 Os1 P1 4_565 3_655 176.2(9) ?
C11 Os1 P1 . 3_655 91.4(9) ?
C11 Os1 P1 3_655 3_655 16.5(9) ?
N1 Os1 P1 . 3_655 79.81(8) ?
Cl1 Os1 P1 . 3_655 100.19(8) ?
P1 Os1 P1 . 3_655 88.21(3) ?
P1 Os1 P1 4_565 3_655 159.63(16) ?
C11 Os1 P1 2_665 2_665 16.5(9) ?
C11 Os1 P1 4_565 2_665 90.8(8) ?
C11 Os1 P1 . 2_665 176.2(9) ?
C11 Os1 P1 3_655 2_665 91.4(9) ?
N1 Os1 P1 . 2_665 79.81(8) ?
Cl1 Os1 P1 . 2_665 100.19(8) ?
P1 Os1 P1 . 2_665 159.63(16) ?
P1 Os1 P1 4_565 2_665 88.21(3) ?
P1 Os1 P1 3_655 2_665 88.21(3) ?
C1 N1 C1 2_665 . 126.(2) ?
C1 N1 C1 2_665 4_565 77.9(9) ?
C1 N1 C1 . 4_565 77.9(9) ?
C1 N1 C1 2_665 3_655 77.9(9) ?
C1 N1 C1 . 3_655 77.9(9) ?
C1 N1 C1 4_565 3_655 126.(2) ?
C1 N1 Os1 2_665 . 117.2(10) ?
C1 N1 Os1 . . 117.2(10) ?
C1 N1 Os1 4_565 . 117.2(10) ?
C1 N1 Os1 3_655 . 117.2(10) ?
O1 P1 C2 . . 104.9(17) ?
O1 P1 C7A . . 48.4(16) ?
C2 P1 C7A . . 96.0(9) ?
O1 P1 C3A . . 70.6(17) ?
C2 P1 C3A . . 93.2(12) ?
C7A P1 C3A . . 118.6(10) ?
O1 P1 C3 . . 49.3(17) ?
C2 P1 C3 . . 106.8(13) ?
O1 P1 C7 . . 66.2(16) ?
C2 P1 C7 . . 105.3(10) ?
C3 P1 C7 . . 112.8(11) ?
O1 P1 Os1 . . 153.4(17) ?
C2 P1 Os1 . . 101.7(5) ?
C7A P1 Os1 . . 127.2(6) ?
C3A P1 Os1 . . 109.6(9) ?
C3 P1 Os1 . . 123.1(8) ?
C7 P1 Os1 . . 105.3(8) ?
N1 C1 C2 . . 125.7(15) ?
N1 C1 H1 . . 117.2 ?
C2 C1 H1 . . 117.2 ?
C1 C2 P1 . . 115.5(10) ?
C1 C2 H2 . . 122.2 ?
P1 C2 H2 . . 122.2 ?
C4A C3A C6A . . 106.(4) ?
C4A C3A C5A . . 113.(4) ?
C6A C3A C5A . . 88.(4) ?
C4A C3A P1 . . 120.(2) ?
C6A C3A P1 . . 112.(2) ?
C5A C3A P1 . . 113.(2) ?
C3A C4A H4D . . 109.5 ?
C3A C4A H4E . . 109.5 ?
H4D C4A H4E . . 109.5 ?
C3A C4A H4F . . 109.5 ?
H4D C4A H4F . . 109.5 ?
H4E C4A H4F . . 109.5 ?
C3A C5A O1 . 4_565 144.(3) ?
C3A C5A H5D . . 109.5 ?
O1 C5A H5D 4_565 . 103.7 ?
C3A C5A H5E . . 109.5 ?
O1 C5A H5E 4_565 . 71.4 ?
H5D C5A H5E . . 109.5 ?
C3A C5A H5F . . 109.5 ?
O1 C5A H5F 4_565 . 43.6 ?
H5D C5A H5F . . 109.5 ?
H5E C5A H5F . . 109.5 ?
C3A C6A H6D . . 109.5 ?
C3A C6A H6E . . 109.5 ?
H6D C6A H6E . . 109.5 ?
C3A C6A H6F . . 109.5 ?
H6D C6A H6F . . 109.5 ?
H6E C6A H6F . . 109.5 ?
O1 C7A C9A . . 123.3(18) ?
O1 C7A C8A . . 93.8(15) ?
C9A C7A C8A . . 106.3(17) ?
O1 C7A C10A . . 120.3(19) ?
C9A C7A C10A . . 105.0(16) ?
C8A C7A C10A . . 104.9(16) ?
O1 C7A P1 . . 21.5(8) ?
C9A C7A P1 . . 114.8(15) ?
C8A C7A P1 . . 115.2(13) ?
C10A C7A P1 . . 109.6(16) ?
C7A C9A H9D . . 109.5 ?
C7A C9A H9E . . 109.5 ?
H9D C9A H9E . . 109.5 ?
C7A C9A H9F . . 109.5 ?
H9D C9A H9F . . 109.5 ?
H9E C9A H9F . . 109.5 ?
C7A C10A H10D . . 109.5 ?
C7A C10A H10E . . 109.5 ?
H10D C10A H10E . . 109.5 ?
C7A C10A H10F . . 109.5 ?
H10D C10A H10F . . 109.5 ?
H10E C10A H10F . . 109.5 ?
C7A C8A H8D . . 109.5 ?
C7A C8A H8E . . 109.5 ?
H8D C8A H8E . . 109.5 ?
C7A C8A H8F . . 109.5 ?
H8D C8A H8F . . 109.5 ?
H8E C8A H8F . . 109.5 ?
C3 C5 H5A . . 109.5 ?
C3 C5 H5B . . 109.5 ?
H5A C5 H5B . . 109.5 ?
C3 C5 H5C . . 109.5 ?
H5A C5 H5C . . 109.5 ?
H5B C5 H5C . . 109.5 ?
C9 C3 O1 4_565 . 101.(3) ?
C9 C3 C6 4_565 . 40.(3) ?
O1 C3 C6 . . 120.(3) ?
C9 C3 C5 4_565 . 93.(4) ?
O1 C3 C5 . . 113.(2) ?
C6 C3 C5 . . 112.(2) ?
C9 C3 C4 4_565 . 144.(4) ?
O1 C3 C4 . . 92.0(19) ?
C6 C3 C4 . . 105.(3) ?
C5 C3 C4 . . 113.(2) ?
C9 C3 P1 4_565 . 80.(3) ?
O1 C3 P1 . . 21.0(8) ?
C6 C3 P1 . . 104.(2) ?
C5 C3 P1 . . 111.7(18) ?
C4 C3 P1 . . 110.7(18) ?
C3 C4 H4A . . 109.5 ?
C3 C4 H4B . . 109.5 ?
H4A C4 H4B . . 109.5 ?
C3 C4 H4C . . 109.5 ?
H4A C4 H4C . . 109.5 ?
H4B C4 H4C . . 109.5 ?
C8 C7 C10 . . 107.7(17) ?
C8 C7 C9 . . 107.7(17) ?
C10 C7 C9 . . 106.3(18) ?
C8 C7 O1 . . 101.(2) ?
C10 C7 O1 . . 98.8(17) ?
C9 C7 O1 . . 134.(2) ?
C8 C7 C6 . 3_655 73.3(19) ?
C10 C7 C6 . 3_655 122.(2) ?
C9 C7 C6 . 3_655 34.8(18) ?
O1 C7 C6 . 3_655 138.(2) ?
C8 C7 P1 . . 115.(2) ?
C10 C7 P1 . . 108.6(16) ?
C9 C7 P1 . . 111.6(19) ?
O1 C7 P1 . . 22.1(7) ?
C6 C7 P1 3_655 . 123.(2) ?
C8 C7 C11 . . 138.(2) ?
C10 C7 C11 . . 92.4(16) ?
C9 C7 C11 . . 101.4(18) ?
O1 C7 C11 . . 38.3(11) ?
C6 C7 C11 3_655 . 126.(2) ?
P1 C7 C11 . . 23.6(9) ?
C7 C8 C6 . 3_655 57.5(17) ?
C7 C8 H8A . . 109.5 ?
C6 C8 H8A 3_655 . 97.4 ?
C7 C8 H8B . . 109.5 ?
C6 C8 H8B 3_655 . 153.1 ?
H8A C8 H8B . . 109.5 ?
C7 C8 H8C . . 109.5 ?
C6 C8 H8C 3_655 . 61.2 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C7 C9 H9A . . 109.5 ?
C7 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C7 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C3 C6 C8 . 4_565 139.(3) ?
C3 C6 H6A . . 109.5 ?
C8 C6 H6A 4_565 . 31.2 ?
C3 C6 H6B . . 109.5 ?
C8 C6 H6B 4_565 . 99.1 ?
H6A C6 H6B . . 109.5 ?
C3 C6 H6C . . 109.5 ?
C8 C6 H6C 4_565 . 86.6 ?
H6A C6 H6C . . 109.5 ?
H6B C6 H6C . . 109.5 ?
C7 C10 H10A . . 109.5 ?
C7 C10 H10B . . 109.5 ?
H10A C10 H10B . . 109.5 ?
C7 C10 H10C . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
O1 C11 Os1 . . 154.(2) ?
O1 C11 C7 . . 56.6(15) ?
Os1 C11 C7 . . 122.0(15) ?
P1 O1 C11 . . 36.2(16) ?
P1 O1 C7A . . 110.(2) ?
C11 O1 C7A . . 109.(2) ?
P1 O1 C3 . . 110.(2) ?
C11 O1 C3 . . 101.(2) ?
P1 O1 C7 . . 91.7(18) ?
C11 O1 C7 . . 85.0(18) ?
C3 O1 C7 . . 151.(2) ?
P1 O1 C9 . 4_565 82.2(18) ?
C11 O1 C9 . 4_565 80.4(18) ?
C3 O1 C9 . 4_565 27.8(15) ?
C7 O1 C9 . 4_565 163.(2) ?
P1 O1 C5A . 3_655 83.8(18) ?
C11 O1 C5A . 3_655 84.4(19) ?
C7A O1 C5A . 3_655 27.0(12) ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C1 N1 C1 C2 2_665 . . . -180.(2) ?
C1 N1 C1 C2 4_565 . . . -115.(2) ?
C1 N1 C1 C2 3_655 . . . 115.(2) ?
Os1 N1 C1 C2 . . . . 0.(2) ?
N1 C1 C2 P1 . . . . 0.(2) ?
O1 P1 C2 C1 . . . . -178.5(19) ?
C7A P1 C2 C1 . . . . -130.1(14) ?
C3A P1 C2 C1 . . . . 110.7(16) ?
C3 P1 C2 C1 . . . . 130.1(15) ?
C7 P1 C2 C1 . . . . -109.7(15) ?
Os1 P1 C2 C1 . . . . -0.1(14) ?
O1 P1 C3A C4A . . . . 26.(3) ?
C2 P1 C3A C4A . . . . 131.(3) ?
C7A P1 C3A C4A . . . . 32.(4) ?
Os1 P1 C3A C4A . . . . -125.(3) ?
O1 P1 C3A C6A . . . . -99.(3) ?
C2 P1 C3A C6A . . . . 6.(3) ?
C7A P1 C3A C6A . . . . -93.(3) ?
Os1 P1 C3A C6A . . . . 110.(3) ?
O1 P1 C3A C5A . . . . 164.(3) ?
C2 P1 C3A C5A . . . . -92.(2) ?
C7A P1 C3A C5A . . . . 170.(2) ?
Os1 P1 C3A C5A . . . . 12.(3) ?
C4A C3A C5A O1 . . . 4_565 137.(4) ?
C6A C3A C5A O1 . . . 4_565 -116.(5) ?
P1 C3A C5A O1 . . . 4_565 -3.(5) ?
C2 P1 C7A O1 . . . . -105.(2) ?
C3A P1 C7A O1 . . . . -8.(3) ?
Os1 P1 C7A O1 . . . . 146.(2) ?
O1 P1 C7A C9A . . . . -118.(3) ?
C2 P1 C7A C9A . . . . 137.0(18) ?
C3A P1 C7A C9A . . . . -126.(2) ?
Os1 P1 C7A C9A . . . . 27.(2) ?
O1 P1 C7A C8A . . . . 6.(3) ?
C2 P1 C7A C8A . . . . -99.(2) ?
C3A P1 C7A C8A . . . . -2.(2) ?
Os1 P1 C7A C8A . . . . 151.(2) ?
O1 P1 C7A C10A . . . . 124.(3) ?
C2 P1 C7A C10A . . . . 19.1(18) ?
C3A P1 C7A C10A . . . . 116.(2) ?
Os1 P1 C7A C10A . . . . -90.5(19) ?
O1 P1 C3 C9 . . . 4_565 -172.(5) ?
C2 P1 C3 C9 . . . 4_565 -77.(4) ?
C7 P1 C3 C9 . . . 4_565 168.(4) ?
Os1 P1 C3 C9 . . . 4_565 40.(4) ?
C2 P1 C3 O1 . . . . 95.(2) ?
C7 P1 C3 O1 . . . . -20.(3) ?
Os1 P1 C3 O1 . . . . -148.(2) ?
O1 P1 C3 C6 . . . . -140.(4) ?
C2 P1 C3 C6 . . . . -45.(2) ?
C7 P1 C3 C6 . . . . -160.(2) ?
Os1 P1 C3 C6 . . . . 72.(3) ?
O1 P1 C3 C5 . . . . 99.(3) ?
C2 P1 C3 C5 . . . . -165.9(16) ?
C7 P1 C3 C5 . . . . 79.(2) ?
Os1 P1 C3 C5 . . . . -49.(2) ?
O1 P1 C3 C4 . . . . -28.(3) ?
C2 P1 C3 C4 . . . . 67.(2) ?
C7 P1 C3 C4 . . . . -48.(3) ?
Os1 P1 C3 C4 . . . . -176.1(16) ?
O1 P1 C7 C8 . . . . 54.(2) ?
C2 P1 C7 C8 . . . . -45.9(17) ?
C3 P1 C7 C8 . . . . 70.(2) ?
Os1 P1 C7 C8 . . . . -152.9(14) ?
O1 P1 C7 C10 . . . . -67.(2) ?
C2 P1 C7 C10 . . . . -166.4(13) ?
C3 P1 C7 C10 . . . . -50.3(18) ?
Os1 P1 C7 C10 . . . . 86.6(13) ?
O1 P1 C7 C9 . . . . 177.(3) ?
C2 P1 C7 C9 . . . . 76.9(17) ?
C3 P1 C7 C9 . . . . -167.0(17) ?
Os1 P1 C7 C9 . . . . -30.2(17) ?
C2 P1 C7 O1 . . . . -99.8(19) ?
C3 P1 C7 O1 . . . . 16.(2) ?
Os1 P1 C7 O1 . . . . 153.2(18) ?
O1 P1 C7 C6 . . . 3_655 139.(3) ?
C2 P1 C7 C6 . . . 3_655 40.(2) ?
C3 P1 C7 C6 . . . 3_655 156.(2) ?
Os1 P1 C7 C6 . . . 3_655 -67.(2) ?
O1 P1 C7 C11 . . . . -115.(3) ?
C2 P1 C7 C11 . . . . 145.(2) ?
C3 P1 C7 C11 . . . . -99.(2) ?
Os1 P1 C7 C11 . . . . 37.8(19) ?
C10 C7 C8 C6 . . . 3_655 -119.(2) ?
C9 C7 C8 C6 . . . 3_655 -5.(2) ?
O1 C7 C8 C6 . . . 3_655 138.(2) ?
P1 C7 C8 C6 . . . 3_655 120.(2) ?
C11 C7 C8 C6 . . . 3_655 126.(3) ?
C9 C3 C6 C8 4_565 . . 4_565 -51.(6) ?
O1 C3 C6 C8 . . . 4_565 -121.(4) ?
C5 C3 C6 C8 . . . 4_565 15.(5) ?
C4 C3 C6 C8 . . . 4_565 138.(4) ?
P1 C3 C6 C8 . . . 4_565 -106.(4) ?
C11 Os1 C11 O1 2_665 . . . -177.(5) ?
C11 Os1 C11 O1 4_565 . . . 100.(5) ?
C11 Os1 C11 O1 3_655 . . . -93.(5) ?
N1 Os1 C11 O1 . . . . 3.(5) ?
Cl1 Os1 C11 O1 . . . . -177.(5) ?
P1 Os1 C11 O1 . . . . 2.(3) ?
P1 Os1 C11 O1 4_565 . . . 83.(5) ?
P1 Os1 C11 O1 3_655 . . . -76.(5) ?
C11 Os1 C11 C7 2_665 . . . -98.0(18) ?
C11 Os1 C11 C7 4_565 . . . 178.3(12) ?
C11 Os1 C11 C7 3_655 . . . -14.(3) ?
N1 Os1 C11 C7 . . . . 82.0(18) ?
Cl1 Os1 C11 C7 . . . . -98.0(18) ?
P1 Os1 C11 C7 . . . . 81.(3) ?
P1 Os1 C11 C7 4_565 . . . 161.9(18) ?
P1 Os1 C11 C7 3_655 . . . 2.1(18) ?
C2 P1 O1 C11 . . . . 180.(2) ?
C7A P1 O1 C11 . . . . 95.(3) ?
C3A P1 O1 C11 . . . . -92.(3) ?
C3 P1 O1 C11 . . . . -81.(3) ?
C7 P1 O1 C11 . . . . 79.(2) ?
Os1 P1 O1 C11 . . . . 3.(3) ?
C2 P1 O1 C7A . . . . 84.7(19) ?
C3A P1 O1 C7A . . . . 173.(2) ?
Os1 P1 O1 C7A . . . . -92.(3) ?
C2 P1 O1 C3 . . . . -100.(2) ?
C7 P1 O1 C3 . . . . 160.(3) ?
Os1 P1 O1 C3 . . . . 84.(4) ?
C2 P1 O1 C7 . . . . 100.4(13) ?
C3 P1 O1 C7 . . . . -160.(3) ?
Os1 P1 O1 C7 . . . . -76.(3) ?
C2 P1 O1 C9 . . . 4_565 -96.0(14) ?
C3 P1 O1 C9 . . . 4_565 4.(2) ?
C7 P1 O1 C9 . . . 4_565 164.(2) ?
Os1 P1 O1 C9 . . . 4_565 87.(3) ?
C2 P1 O1 C5A . . . 3_655 90.6(14) ?
C7A P1 O1 C5A . . . 3_655 5.9(18) ?
C3A P1 O1 C5A . . . 3_655 178.8(18) ?
Os1 P1 O1 C5A . . . 3_655 -86.(3) ?
Os1 C11 O1 P1 . . . . -4.(4) ?
C7 C11 O1 P1 . . . . -100.(2) ?
Os1 C11 O1 C7A . . . . 94.(5) ?
Os1 C11 O1 C3 . . . . -113.(5) ?
C7 C11 O1 C3 . . . . 151.(2) ?
Os1 C11 O1 C7 . . . . 96.(5) ?
Os1 C11 O1 C9 . . . 4_565 -94.(5) ?
C7 C11 O1 C9 . . . 4_565 170.4(19) ?
Os1 C11 O1 C5A . . . 3_655 83.(5) ?
C9A C7A O1 P1 . . . . 73.(3) ?
C8A C7A O1 P1 . . . . -175.(3) ?
C10A C7A O1 P1 . . . . -65.(3) ?
C9A C7A O1 C11 . . . . 34.(3) ?
C8A C7A O1 C11 . . . . 147.(2) ?
C10A C7A O1 C11 . . . . -104.(3) ?
P1 C7A O1 C11 . . . . -38.5(19) ?
C9A C7A O1 C5A . . . 3_655 60.(3) ?
C8A C7A O1 C5A . . . 3_655 172.(3) ?
C10A C7A O1 C5A . . . 3_655 -78.(3) ?
P1 C7A O1 C5A . . . 3_655 -13.(4) ?
C9 C3 O1 P1 4_565 . . . 8.(5) ?
C6 C3 O1 P1 . . . . 45.(4) ?
C5 C3 O1 P1 . . . . -90.(3) ?
C4 C3 O1 P1 . . . . 154.(2) ?
C9 C3 O1 C11 4_565 . . . 44.(4) ?
C6 C3 O1 C11 . . . . 82.(3) ?
C5 C3 O1 C11 . . . . -54.(3) ?
C4 C3 O1 C11 . . . . -170.(2) ?
P1 C3 O1 C11 . . . . 36.4(19) ?
C9 C3 O1 C7 4_565 . . . 143.(5) ?
C6 C3 O1 C7 . . . . -179.(3) ?
C5 C3 O1 C7 . . . . 45.(5) ?
C4 C3 O1 C7 . . . . -71.(4) ?
P1 C3 O1 C7 . . . . 135.(5) ?
C6 C3 O1 C9 . . . 4_565 38.(4) ?
C5 C3 O1 C9 . . . 4_565 -98.(4) ?
C4 C3 O1 C9 . . . 4_565 146.(5) ?
P1 C3 O1 C9 . . . 4_565 -8.(5) ?
C8 C7 O1 P1 . . . . -132.(2) ?
C10 C7 O1 P1 . . . . 118.(2) ?
C9 C7 O1 P1 . . . . -4.(3) ?
C6 C7 O1 P1 3_655 . . . -55.(4) ?
C11 C7 O1 P1 . . . . 35.6(17) ?
C8 C7 O1 C11 . . . . -167.(2) ?
C10 C7 O1 C11 . . . . 83.(2) ?
C9 C7 O1 C11 . . . . -40.(3) ?
C6 C7 O1 C11 3_655 . . . -91.(3) ?
P1 C7 O1 C11 . . . . -35.6(17) ?
C8 C7 O1 C3 . . . . 90.(4) ?
C10 C7 O1 C3 . . . . -20.(4) ?
C9 C7 O1 C3 . . . . -143.(4) ?
C6 C7 O1 C3 3_655 . . . 167.(4) ?
P1 C7 O1 C3 . . . . -138.(5) ?
C11 C7 O1 C3 . . . . -103.(4) ?
C8 C7 O1 C9 . . . 4_565 159.(6) ?
C10 C7 O1 C9 . . . 4_565 49.(6) ?
C9 C7 O1 C9 . . . 4_565 -73.(7) ?
C6 C7 O1 C9 3_655 . . 4_565 -124.(6) ?
P1 C7 O1 C9 . . . 4_565 -69.(6) ?
C11 C7 O1 C9 . . . 4_565 -33.(6) ?

