# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_OsAux
_database_code_depnum_ccdc_archive 'CCDC 1981335'
loop_
_audit_author_name
_audit_author_address
'Sergei Ivlev'
;Philipps University of Marburg
Germany
;
_audit_update_record             
;
2020-02-01 deposited with the CCDC.	2020-06-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C36 H29 N5 O2 Os, 2(F6 P)'
_chemical_formula_sum            'C36 H29 F12 N5 O2 Os P2'
_chemical_formula_weight         1043.78

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'
F F 0.0171 0.0103 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.2495(3)
_cell_length_b                   10.7934(4)
_cell_length_c                   35.8310(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3577.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100
_cell_measurement_reflns_used    6883
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      31.94

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.938
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.287
_exptl_crystal_size_mid          0.082
_exptl_crystal_size_min          0.062
_exptl_absorpt_coefficient_mu    3.761
_shelx_estimated_absorpt_T_min   0.412
_shelx_estimated_absorpt_T_max   0.800
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6497
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_process_details   
;Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
J. Appl. Cryst. 48 (2015) 3-10
;

_diffrn_ambient_temperature      100
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector                 'PHOTON 100'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.00
_diffrn_source_power             0.050
_diffrn_radiation_collimation    '0.3 mm diameter'

_diffrn_reflns_number            60283
_diffrn_reflns_av_unetI/netI     0.0499
_diffrn_reflns_av_R_equivalents  0.0571
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -53
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_theta_min         2.203
_diffrn_reflns_theta_max         32.073
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             12430
_reflns_number_gt                11366
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.797
_reflns_Friedel_fraction_max     0.993
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond v4.5.3 (Brandenburg, 2018)'
_computing_publication_material  'SAINT V8.38A (Bruker AXS Inc., 2017)'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0152P)²+9.8471P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 4425 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.011(3)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         12430
_refine_ls_number_parameters     551
_refine_ls_number_restraints     324
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0411
_refine_ls_wR_factor_ref         0.0692
_refine_ls_wR_factor_gt          0.0674
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_restrained_S_all      1.147
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.88185(2) 0.27926(2) 0.39339(2) 0.01133(4) Uani 1 1 d . . . . .
C1 C 1.0141(6) 0.2489(5) 0.43089(16) 0.0186(13) Uani 1 1 d . . . . .
N1 N 0.7500(5) 0.2936(5) 0.34381(12) 0.0134(9) Uani 1 1 d . . . . .
F1 F 0.5559(6) 0.6444(4) 0.35922(12) 0.0421(12) Uani 1 1 d D . . . .
P1 P 0.58867(17) 0.75329(13) 0.33063(5) 0.0231(4) Uani 1 1 d D . . . .
O1 O 1.1015(4) 0.2246(5) 0.45248(11) 0.0288(9) Uani 1 1 d . . . . .
P2 P 0.14694(16) 0.7191(2) 0.44708(4) 0.0278(3) Uani 1 1 d D . . . .
C2 C 0.7860(6) 0.5511(5) 0.41990(16) 0.0154(11) Uani 1 1 d . . . . .
H2 H 0.868425 0.581083 0.406891 0.019 Uiso 1 1 calc R U . . .
N2 N 1.0213(7) -0.0652(5) 0.31547(16) 0.0269(13) Uani 1 1 d . . . . .
F3A F 0.4351(17) 0.808(3) 0.3390(7) 0.083(6) Uani 0.49(3) 1 d D . P A 1
F4A F 0.514(3) 0.666(2) 0.3005(6) 0.088(6) Uani 0.49(3) 1 d D . P A 1
F5A F 0.7379(17) 0.6936(18) 0.3160(7) 0.083(6) Uani 0.49(3) 1 d D . P A 1
F2A F 0.678(3) 0.8418(14) 0.3565(5) 0.088(6) Uani 0.49(3) 1 d D . P A 1
F3B F 0.4214(10) 0.788(2) 0.3274(5) 0.057(3) Uani 0.51(3) 1 d D . P A 2
F5B F 0.7503(9) 0.7089(15) 0.3343(5) 0.057(3) Uani 0.51(3) 1 d D . P A 2
F2B F 0.598(2) 0.8370(11) 0.3668(3) 0.058(4) Uani 0.51(3) 1 d D . P A 2
F4B F 0.559(2) 0.6647(15) 0.2961(4) 0.058(4) Uani 0.51(3) 1 d D . P A 2
O2 O 1.1030(6) 0.5714(4) 0.33227(13) 0.0277(10) Uani 1 1 d . . . . .
C3 C 0.6975(7) 0.6362(6) 0.43834(17) 0.0195(12) Uani 1 1 d . . . . .
H3 H 0.721449 0.721738 0.438053 0.023 Uiso 1 1 calc R U . . .
N3 N 0.7598(5) 0.4298(4) 0.41977(13) 0.0119(9) Uani 1 1 d . . . . .
C4 C 0.5764(6) 0.5969(6) 0.45684(17) 0.0183(12) Uani 1 1 d . . . . .
H4 H 0.514023 0.654390 0.468838 0.022 Uiso 1 1 calc R U . . .
N4 N 0.4919(5) 0.0838(5) 0.46263(14) 0.0163(10) Uani 1 1 d . . . . .
C5 C 0.5469(6) 0.4691(6) 0.45759(16) 0.0152(11) Uani 1 1 d . . . . .
N5 N 1.0249(6) 0.4099(5) 0.36566(15) 0.0158(11) Uani 1 1 d . . . . .
C6 C 0.6417(6) 0.3886(5) 0.43894(14) 0.0112(10) Uani 1 1 d . . . . .
F6 F 0.6187(6) 0.8597(4) 0.30084(14) 0.0484(12) Uani 1 1 d D . . . .
C7 C 0.4271(6) 0.4155(6) 0.47716(16) 0.0178(12) Uani 1 1 d . . . . .
H7 H 0.359697 0.468316 0.489262 0.021 Uiso 1 1 calc R U . . .
F7 F 0.2365(5) 0.7108(6) 0.48500(11) 0.0481(13) Uani 1 1 d D . . . .
C8 C 0.4079(5) 0.2914(6) 0.47882(14) 0.0167(11) Uani 1 1 d . . . . .
H8 H 0.327964 0.258292 0.492153 0.020 Uiso 1 1 calc R U . . .
C9 C 0.5065(6) 0.2102(6) 0.46076(14) 0.0143(10) Uani 1 1 d . . . . .
F12A F 0.0065(15) 0.696(3) 0.4711(6) 0.052(3) Uani 0.57(2) 1 d D . P B 1
F9A F 0.2833(10) 0.7707(17) 0.4235(2) 0.052(3) Uani 0.57(2) 1 d D . P B 1
F8A F 0.1836(19) 0.5821(9) 0.4388(3) 0.054(3) Uani 0.57(2) 1 d D . P B 1
F11A F 0.114(2) 0.8638(7) 0.4568(4) 0.054(3) Uani 0.57(2) 1 d D . P B 1
F9B F 0.2957(10) 0.686(2) 0.4274(4) 0.053(4) Uani 0.43(2) 1 d D . P B 2
F12B F -0.0034(17) 0.709(5) 0.4681(7) 0.053(4) Uani 0.43(2) 1 d D . P B 2
F8B F 0.117(2) 0.5677(8) 0.4469(5) 0.050(4) Uani 0.43(2) 1 d D . P B 2
F11B F 0.150(2) 0.8637(8) 0.4475(5) 0.050(4) Uani 0.43(2) 1 d D . P B 2
F10 F 0.0584(4) 0.7245(5) 0.40877(10) 0.0394(10) Uani 1 1 d D . . . .
C10 C 0.6235(6) 0.2571(4) 0.44024(12) 0.0121(9) Uani 1 1 d . . . . .
C11 C 0.3749(7) 0.0274(6) 0.48470(17) 0.0228(12) Uani 1 1 d . . . . .
H11A H 0.281368 0.058213 0.475783 0.034 Uiso 1 1 calc R U . . .
H11B H 0.387011 0.049342 0.511053 0.034 Uiso 1 1 calc R U . . .
H11C H 0.378286 -0.062891 0.481954 0.034 Uiso 1 1 calc R U . . .
C12 C 0.5870(7) 0.0104(6) 0.44525(18) 0.0214(13) Uani 1 1 d . . . . .
H12 H 0.574406 -0.076777 0.447051 0.026 Uiso 1 1 calc R U . . .
C15 C 0.9503(6) 0.1304(5) 0.36496(16) 0.0166(11) Uani 1 1 d . . . . .
C14 C 0.7264(6) 0.1827(5) 0.42121(15) 0.0131(11) Uani 1 1 d . . . . .
C13 C 0.7026(7) 0.0547(6) 0.42485(18) 0.0207(13) Uani 1 1 d . . . . .
H13 H 0.766802 -0.001975 0.413136 0.025 Uiso 1 1 calc R U . . .
C16 C 1.0460(7) 0.0338(6) 0.37486(18) 0.0224(14) Uani 1 1 d . . . . .
H16 H 1.088260 0.032925 0.399021 0.027 Uiso 1 1 calc R U . . .
C27 C 0.6517(6) 0.3785(5) 0.33492(16) 0.0172(12) Uani 1 1 d . . . . .
H27 H 0.627429 0.439703 0.352928 0.021 Uiso 1 1 calc R U . . .
C26 C 0.5826(6) 0.3819(6) 0.30036(17) 0.0216(13) Uani 1 1 d . . . . .
H26 H 0.514305 0.445194 0.295013 0.026 Uiso 1 1 calc R U . . .
C25 C 0.6134(7) 0.2936(6) 0.27419(14) 0.0218(11) Uani 1 1 d . . . . .
H25 H 0.566629 0.294689 0.250598 0.026 Uiso 1 1 calc R U . . .
C24 C 0.7816(6) 0.2041(5) 0.31789(15) 0.0149(11) Uani 1 1 d . . . . .
C23 C 0.7147(6) 0.2017(6) 0.28260(16) 0.0201(13) Uani 1 1 d . . . . .
C22 C 0.7570(8) 0.1043(7) 0.25821(18) 0.0271(15) Uani 1 1 d . . . . .
H22 H 0.714217 0.099401 0.234149 0.033 Uiso 1 1 calc R U . . .
C21 C 0.8563(8) 0.0182(6) 0.26822(18) 0.0266(16) Uani 1 1 d . . . . .
H21 H 0.882778 -0.044828 0.251012 0.032 Uiso 1 1 calc R U . . .
C20 C 0.8861(7) 0.1160(5) 0.32901(14) 0.0153(10) Uani 1 1 d . . . . .
C19 C 0.9215(7) 0.0210(6) 0.30425(18) 0.0214(13) Uani 1 1 d . . . . .
C18 C 1.0673(10) -0.1643(7) 0.2900(2) 0.040(2) Uani 1 1 d . . . . .
H18A H 0.984336 -0.217071 0.283964 0.059 Uiso 1 1 calc R U . . .
H18B H 1.142623 -0.214178 0.301977 0.059 Uiso 1 1 calc R U . . .
H18C H 1.105639 -0.127591 0.267001 0.059 Uiso 1 1 calc R U . . .
C17 C 1.0786(8) -0.0587(6) 0.3499(2) 0.0283(16) Uani 1 1 d . . . . .
H17 H 1.144843 -0.121245 0.357393 0.034 Uiso 1 1 calc R U . . .
C28 C 0.9954(7) 0.5012(6) 0.34494(18) 0.0199(13) Uani 1 1 d . . . . .
H28 H 0.898038 0.519442 0.338505 0.024 Uiso 1 1 calc R U . . .
C29 C 1.2330(7) 0.5285(6) 0.35122(19) 0.0230(14) Uani 1 1 d . . . . .
H29A H 1.263446 0.587684 0.370804 0.028 Uiso 1 1 calc R U . . .
H29B H 1.313530 0.516874 0.333350 0.028 Uiso 1 1 calc R U . . .
C30 C 1.1862(6) 0.4036(6) 0.36846(17) 0.0175(12) Uani 1 1 d . . . . .
H30 H 1.215617 0.400555 0.395301 0.021 Uiso 1 1 calc R U . . .
C31 C 1.2463(6) 0.2928(6) 0.34817(15) 0.0163(11) Uani 1 1 d . . . . .
C32 C 1.3506(6) 0.2168(7) 0.36514(16) 0.0223(12) Uani 1 1 d . . . . .
H32 H 1.380645 0.233638 0.389980 0.027 Uiso 1 1 calc R U . . .
C33 C 1.4096(7) 0.1183(6) 0.3461(2) 0.0285(15) Uani 1 1 d . . . . .
H33 H 1.479082 0.067016 0.358074 0.034 Uiso 1 1 calc R U . . .
C34 C 1.3683(8) 0.0933(6) 0.3097(2) 0.0286(14) Uani 1 1 d . . . . .
H34 H 1.410313 0.025831 0.296622 0.034 Uiso 1 1 calc R U . . .
C35 C 1.2656(7) 0.1671(6) 0.29251(18) 0.0229(13) Uani 1 1 d . . . . .
H35 H 1.237006 0.150459 0.267548 0.027 Uiso 1 1 calc R U . . .
C36 C 1.2049(6) 0.2650(6) 0.31178(15) 0.0169(11) Uani 1 1 d . . . . .
H36 H 1.133333 0.314458 0.299941 0.020 Uiso 1 1 calc R U . . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os1 C1 1.846(6) . ?
Os1 C15 2.005(6) . ?
Os1 C14 2.037(6) . ?
Os1 N1 2.160(4) . ?
Os1 N5 2.174(5) . ?
Os1 N3 2.193(5) . ?
C1 O1 1.150(7) . ?
N1 C27 1.330(7) . ?
N1 C24 1.372(7) . ?
F1 P1 1.589(4) . ?
P1 F2A 1.567(8) . ?
P1 F3A 1.567(9) . ?
P1 F5B 1.575(7) . ?
P1 F2B 1.584(7) . ?
P1 F4A 1.589(9) . ?
P1 F4B 1.589(8) . ?
P1 F6 1.592(4) . ?
P1 F3B 1.597(7) . ?
P1 F5A 1.610(8) . ?
P2 F8A 1.546(7) . ?
P2 F11B 1.562(9) . ?
P2 F12A 1.578(7) . ?
P2 F12B 1.585(9) . ?
P2 F9B 1.587(8) . ?
P2 F7 1.594(4) . ?
P2 F10 1.600(4) . ?
P2 F9A 1.617(7) . ?
P2 F11A 1.630(7) . ?
P2 F8B 1.657(8) . ?
C2 N3 1.332(7) . ?
C2 C3 1.396(8) . ?
C2 H2 0.9500 . ?
N2 C17 1.345(10) . ?
N2 C19 1.371(9) . ?
N2 C18 1.469(8) . ?
O2 C28 1.331(8) . ?
O2 C29 1.457(9) . ?
C3 C4 1.369(9) . ?
C3 H3 0.9500 . ?
N3 C6 1.365(7) . ?
C4 C5 1.406(8) . ?
C4 H4 0.9500 . ?
N4 C12 1.338(8) . ?
N4 C9 1.373(8) . ?
N4 C11 1.472(8) . ?
C5 C6 1.404(8) . ?
C5 C7 1.433(8) . ?
N5 C28 1.264(8) . ?
N5 C30 1.497(8) . ?
C6 C10 1.429(7) . ?
C7 C8 1.352(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.420(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.404(7) . ?
C10 C14 1.420(7) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.381(9) . ?
C12 H12 0.9500 . ?
C15 C16 1.412(9) . ?
C15 C20 1.427(8) . ?
C14 C13 1.405(8) . ?
C13 H13 0.9500 . ?
C16 C17 1.374(9) . ?
C16 H16 0.9500 . ?
C27 C26 1.394(8) . ?
C27 H27 0.9500 . ?
C26 C25 1.367(9) . ?
C26 H26 0.9500 . ?
C25 C23 1.397(9) . ?
C25 H25 0.9500 . ?
C24 C23 1.408(8) . ?
C24 C20 1.414(8) . ?
C23 C22 1.422(9) . ?
C22 C21 1.355(10) . ?
C22 H22 0.9500 . ?
C21 C19 1.425(9) . ?
C21 H21 0.9500 . ?
C20 C19 1.395(8) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C17 H17 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.544(9) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.506(9) . ?
C30 H30 1.0000 . ?
C31 C36 1.392(8) . ?
C31 C32 1.404(8) . ?
C32 C33 1.375(9) . ?
C32 H32 0.9500 . ?
C33 C34 1.386(10) . ?
C33 H33 0.9500 . ?
C34 C35 1.384(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.382(8) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?

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
C1 Os1 C15 91.1(3) . . ?
C1 Os1 C14 91.2(2) . . ?
C15 Os1 C14 93.5(2) . . ?
C1 Os1 N1 170.1(2) . . ?
C15 Os1 N1 79.5(2) . . ?
C14 Os1 N1 92.33(19) . . ?
C1 Os1 N5 92.6(2) . . ?
C15 Os1 N5 95.5(2) . . ?
C14 Os1 N5 170.2(2) . . ?
N1 Os1 N5 85.49(19) . . ?
C1 Os1 N3 99.1(2) . . ?
C15 Os1 N3 167.3(2) . . ?
C14 Os1 N3 78.7(2) . . ?
N1 Os1 N3 90.60(17) . . ?
N5 Os1 N3 91.69(19) . . ?
O1 C1 Os1 175.1(5) . . ?
C27 N1 C24 118.0(5) . . ?
C27 N1 Os1 129.3(4) . . ?
C24 N1 Os1 112.7(4) . . ?
F2A P1 F3A 97.8(12) . . ?
F5B P1 F2B 93.1(8) . . ?
F2A P1 F1 99.8(7) . . ?
F3A P1 F1 88.9(10) . . ?
F5B P1 F1 84.4(6) . . ?
F2B P1 F1 84.5(6) . . ?
F2A P1 F4A 172.5(12) . . ?
F3A P1 F4A 87.8(13) . . ?
F1 P1 F4A 85.2(10) . . ?
F5B P1 F4B 92.7(9) . . ?
F2B P1 F4B 172.5(10) . . ?
F1 P1 F4B 91.4(8) . . ?
F2A P1 F6 82.2(7) . . ?
F3A P1 F6 90.9(10) . . ?
F5B P1 F6 96.3(6) . . ?
F2B P1 F6 97.4(6) . . ?
F1 P1 F6 178.0(3) . . ?
F4A P1 F6 92.8(10) . . ?
F4B P1 F6 86.7(7) . . ?
F5B P1 F3B 175.9(8) . . ?
F2B P1 F3B 88.7(9) . . ?
F1 P1 F3B 92.2(9) . . ?
F4B P1 F3B 85.2(9) . . ?
F6 P1 F3B 87.1(9) . . ?
F2A P1 F5A 89.1(11) . . ?
F3A P1 F5A 171.8(9) . . ?
F1 P1 F5A 94.4(6) . . ?
F4A P1 F5A 85.0(12) . . ?
F6 P1 F5A 85.5(6) . . ?
F8A P2 F12A 97.6(14) . . ?
F11B P2 F12B 94.6(18) . . ?
F11B P2 F9B 102.4(9) . . ?
F12B P2 F9B 163(2) . . ?
F8A P2 F7 89.8(5) . . ?
F11B P2 F7 92.1(7) . . ?
F12A P2 F7 87.4(9) . . ?
F12B P2 F7 92.7(11) . . ?
F9B P2 F7 85.1(5) . . ?
F8A P2 F10 89.0(5) . . ?
F11B P2 F10 89.0(7) . . ?
F12A P2 F10 93.0(9) . . ?
F12B P2 F10 87.8(11) . . ?
F9B P2 F10 94.1(5) . . ?
F7 P2 F10 178.8(3) . . ?
F8A P2 F9A 93.3(7) . . ?
F12A P2 F9A 169.1(14) . . ?
F7 P2 F9A 93.4(4) . . ?
F10 P2 F9A 86.5(4) . . ?
F8A P2 F11A 177.9(7) . . ?
F12A P2 F11A 83.2(14) . . ?
F7 P2 F11A 88.3(6) . . ?
F10 P2 F11A 93.0(6) . . ?
F9A P2 F11A 85.9(8) . . ?
F11B P2 F8B 171.4(8) . . ?
F12B P2 F8B 77.7(19) . . ?
F9B P2 F8B 85.5(9) . . ?
F7 P2 F8B 92.0(6) . . ?
F10 P2 F8B 87.0(5) . . ?
N3 C2 C3 122.8(5) . . ?
N3 C2 H2 118.6 . . ?
C3 C2 H2 118.6 . . ?
C17 N2 C19 119.9(5) . . ?
C17 N2 C18 119.6(6) . . ?
C19 N2 C18 120.4(6) . . ?
C28 O2 C29 106.1(4) . . ?
C4 C3 C2 120.4(6) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C2 N3 C6 117.7(5) . . ?
C2 N3 Os1 129.5(4) . . ?
C6 N3 Os1 112.8(4) . . ?
C3 C4 C5 118.1(6) . . ?
C3 C4 H4 120.9 . . ?
C5 C4 H4 120.9 . . ?
C12 N4 C9 120.1(5) . . ?
C12 N4 C11 119.3(5) . . ?
C9 N4 C11 120.6(5) . . ?
C6 C5 C4 118.5(5) . . ?
C6 C5 C7 117.7(5) . . ?
C4 C5 C7 123.8(6) . . ?
C28 N5 C30 106.8(6) . . ?
C28 N5 Os1 130.0(5) . . ?
C30 N5 Os1 123.1(4) . . ?
N3 C6 C5 122.5(5) . . ?
N3 C6 C10 115.7(5) . . ?
C5 C6 C10 121.7(5) . . ?
C8 C7 C5 121.6(5) . . ?
C8 C7 H7 119.2 . . ?
C5 C7 H7 119.2 . . ?
C7 C8 C9 120.4(5) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
N4 C9 C10 117.4(5) . . ?
N4 C9 C8 121.9(5) . . ?
C10 C9 C8 120.8(6) . . ?
C9 C10 C14 124.4(5) . . ?
C9 C10 C6 117.8(5) . . ?
C14 C10 C6 117.8(5) . . ?
N4 C11 H11A 109.5 . . ?
N4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N4 C12 C13 123.4(6) . . ?
N4 C12 H12 118.3 . . ?
C13 C12 H12 118.3 . . ?
C16 C15 C20 114.0(5) . . ?
C16 C15 Os1 131.4(5) . . ?
C20 C15 Os1 114.5(4) . . ?
C13 C14 C10 114.0(5) . . ?
C13 C14 Os1 131.2(4) . . ?
C10 C14 Os1 114.8(4) . . ?
C12 C13 C14 120.7(6) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C17 C16 C15 120.7(6) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
N1 C27 C26 123.0(5) . . ?
N1 C27 H27 118.5 . . ?
C26 C27 H27 118.5 . . ?
C25 C26 C27 119.7(6) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C26 C25 C23 119.2(5) . . ?
C26 C25 H25 120.4 . . ?
C23 C25 H25 120.4 . . ?
N1 C24 C23 121.9(5) . . ?
N1 C24 C20 115.4(5) . . ?
C23 C24 C20 122.7(5) . . ?
C25 C23 C24 118.3(5) . . ?
C25 C23 C22 125.2(6) . . ?
C24 C23 C22 116.4(6) . . ?
C21 C22 C23 122.1(6) . . ?
C21 C22 H22 119.0 . . ?
C23 C22 H22 119.0 . . ?
C22 C21 C19 120.8(6) . . ?
C22 C21 H21 119.6 . . ?
C19 C21 H21 119.6 . . ?
C19 C20 C24 118.4(5) . . ?
C19 C20 C15 123.9(6) . . ?
C24 C20 C15 117.7(5) . . ?
N2 C19 C20 118.0(6) . . ?
N2 C19 C21 122.4(6) . . ?
C20 C19 C21 119.5(6) . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C17 C16 123.2(6) . . ?
N2 C17 H17 118.4 . . ?
C16 C17 H17 118.4 . . ?
N5 C28 O2 118.9(6) . . ?
N5 C28 H28 120.6 . . ?
O2 C28 H28 120.6 . . ?
O2 C29 C30 103.5(5) . . ?
O2 C29 H29A 111.1 . . ?
C30 C29 H29A 111.1 . . ?
O2 C29 H29B 111.1 . . ?
C30 C29 H29B 111.1 . . ?
H29A C29 H29B 109.0 . . ?
N5 C30 C31 111.8(5) . . ?
N5 C30 C29 102.3(5) . . ?
C31 C30 C29 113.4(5) . . ?
N5 C30 H30 109.7 . . ?
C31 C30 H30 109.7 . . ?
C29 C30 H30 109.7 . . ?
C36 C31 C32 118.0(6) . . ?
C36 C31 C30 121.4(5) . . ?
C32 C31 C30 120.6(5) . . ?
C33 C32 C31 120.6(6) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C32 C33 C34 120.5(6) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
C35 C34 C33 119.8(6) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C36 C35 C34 119.8(6) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C35 C36 C31 121.4(6) . . ?
C35 C36 H36 119.3 . . ?
C31 C36 H36 119.3 . . ?

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
N3 C2 C3 C4 -1.2(9) . . . . ?
C3 C2 N3 C6 -0.6(8) . . . . ?
C3 C2 N3 Os1 -179.7(4) . . . . ?
C2 C3 C4 C5 1.9(8) . . . . ?
C3 C4 C5 C6 -0.9(8) . . . . ?
C3 C4 C5 C7 177.4(5) . . . . ?
C2 N3 C6 C5 1.7(8) . . . . ?
Os1 N3 C6 C5 -179.1(4) . . . . ?
C2 N3 C6 C10 -175.8(5) . . . . ?
Os1 N3 C6 C10 3.4(6) . . . . ?
C4 C5 C6 N3 -0.9(8) . . . . ?
C7 C5 C6 N3 -179.4(5) . . . . ?
C4 C5 C6 C10 176.4(5) . . . . ?
C7 C5 C6 C10 -2.1(8) . . . . ?
C6 C5 C7 C8 2.1(8) . . . . ?
C4 C5 C7 C8 -176.2(5) . . . . ?
C5 C7 C8 C9 -0.5(8) . . . . ?
C12 N4 C9 C10 -0.1(8) . . . . ?
C11 N4 C9 C10 177.8(5) . . . . ?
C12 N4 C9 C8 -180.0(5) . . . . ?
C11 N4 C9 C8 -2.0(8) . . . . ?
C7 C8 C9 N4 178.5(5) . . . . ?
C7 C8 C9 C10 -1.4(8) . . . . ?
N4 C9 C10 C14 0.5(8) . . . . ?
C8 C9 C10 C14 -179.6(5) . . . . ?
N4 C9 C10 C6 -178.4(5) . . . . ?
C8 C9 C10 C6 1.4(7) . . . . ?
N3 C6 C10 C9 177.8(4) . . . . ?
C5 C6 C10 C9 0.3(7) . . . . ?
N3 C6 C10 C14 -1.2(7) . . . . ?
C5 C6 C10 C14 -178.7(5) . . . . ?
C9 N4 C12 C13 -0.1(9) . . . . ?
C11 N4 C12 C13 -178.1(6) . . . . ?
C9 C10 C14 C13 -0.7(8) . . . . ?
C6 C10 C14 C13 178.3(5) . . . . ?
C9 C10 C14 Os1 179.2(4) . . . . ?
C6 C10 C14 Os1 -1.9(6) . . . . ?
N4 C12 C13 C14 -0.1(10) . . . . ?
C10 C14 C13 C12 0.4(8) . . . . ?
Os1 C14 C13 C12 -179.4(5) . . . . ?
C20 C15 C16 C17 4.4(9) . . . . ?
Os1 C15 C16 C17 -178.9(5) . . . . ?
C24 N1 C27 C26 -1.5(8) . . . . ?
Os1 N1 C27 C26 174.6(4) . . . . ?
N1 C27 C26 C25 1.2(9) . . . . ?
C27 C26 C25 C23 -0.3(9) . . . . ?
C27 N1 C24 C23 0.9(8) . . . . ?
Os1 N1 C24 C23 -175.8(4) . . . . ?
C27 N1 C24 C20 -179.6(5) . . . . ?
Os1 N1 C24 C20 3.7(6) . . . . ?
C26 C25 C23 C24 -0.2(8) . . . . ?
C26 C25 C23 C22 179.8(6) . . . . ?
N1 C24 C23 C25 -0.1(8) . . . . ?
C20 C24 C23 C25 -179.5(5) . . . . ?
N1 C24 C23 C22 179.9(5) . . . . ?
C20 C24 C23 C22 0.5(8) . . . . ?
C25 C23 C22 C21 179.9(6) . . . . ?
C24 C23 C22 C21 -0.1(9) . . . . ?
C23 C22 C21 C19 0.9(10) . . . . ?
N1 C24 C20 C19 178.9(5) . . . . ?
C23 C24 C20 C19 -1.7(8) . . . . ?
N1 C24 C20 C15 -1.7(7) . . . . ?
C23 C24 C20 C15 177.8(5) . . . . ?
C16 C15 C20 C19 -4.7(9) . . . . ?
Os1 C15 C20 C19 178.0(5) . . . . ?
C16 C15 C20 C24 175.9(5) . . . . ?
Os1 C15 C20 C24 -1.4(7) . . . . ?
C17 N2 C19 C20 2.0(9) . . . . ?
C18 N2 C19 C20 -177.4(6) . . . . ?
C17 N2 C19 C21 -179.5(6) . . . . ?
C18 N2 C19 C21 1.1(9) . . . . ?
C24 C20 C19 N2 -179.0(5) . . . . ?
C15 C20 C19 N2 1.6(9) . . . . ?
C24 C20 C19 C21 2.5(8) . . . . ?
C15 C20 C19 C21 -177.0(6) . . . . ?
C22 C21 C19 N2 179.4(6) . . . . ?
C22 C21 C19 C20 -2.2(9) . . . . ?
C19 N2 C17 C16 -2.3(10) . . . . ?
C18 N2 C17 C16 177.2(7) . . . . ?
C15 C16 C17 N2 -1.2(10) . . . . ?
C30 N5 C28 O2 -3.0(8) . . . . ?
Os1 N5 C28 O2 177.3(4) . . . . ?
C29 O2 C28 N5 -7.5(8) . . . . ?
C28 O2 C29 C30 13.8(6) . . . . ?
C28 N5 C30 C31 -110.3(6) . . . . ?
Os1 N5 C30 C31 69.4(6) . . . . ?
C28 N5 C30 C29 11.4(7) . . . . ?
Os1 N5 C30 C29 -168.9(4) . . . . ?
O2 C29 C30 N5 -15.0(6) . . . . ?
O2 C29 C30 C31 105.6(5) . . . . ?
N5 C30 C31 C36 48.9(8) . . . . ?
C29 C30 C31 C36 -66.2(7) . . . . ?
N5 C30 C31 C32 -133.6(6) . . . . ?
C29 C30 C31 C32 111.4(6) . . . . ?
C36 C31 C32 C33 0.1(9) . . . . ?
C30 C31 C32 C33 -177.5(6) . . . . ?
C31 C32 C33 C34 0.8(10) . . . . ?
C32 C33 C34 C35 -0.8(10) . . . . ?
C33 C34 C35 C36 -0.1(10) . . . . ?
C34 C35 C36 C31 1.0(9) . . . . ?
C32 C31 C36 C35 -1.0(9) . . . . ?
C30 C31 C36 C35 176.6(5) . . . . ?

_refine_diff_density_max         2.471
_refine_diff_density_min         -4.409
_refine_diff_density_rms         0.156


# start Validation Reply Form
_vrf_PLAT972_2_a                 
;
PROBLEM: Check Calcd Resid. Dens.  1.14A   From C32            -3.79 eA-3
RESPONSE: The residual positive and negative peaks are comparable in
magnitude and are likely to result due to problematic absorption
correction.
;
_vrf_PLAT220_2_a                 
;
PROBLEM: Non-Solvent  Resd 1  C   Ueq(max)/Ueq(min) Range        3.6 Ratio
RESPONSE: The corresponding carbon atom C32 is located close to the highest
positive difference peak.
;
_vrf_PLAT244_2_a                 
;
PROBLEM: Low    'Solvent' Ueq as Compared to Neighbors of         P1 Check
RESPONSE: P1 corresponds to the central phosphorus atom of rotationally
disordered [PF6]- anion
;
_vrf_PLAT250_2_a                 
;
PROBLEM: Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.8 Note
RESPONSE: This is likely an effect of the problematic absorption correction.
;
_vrf_PLAT342_2_a                 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.00859 Ang.
RESPONSE: This is likely an effect of the problematic absorption correction.
;
_vrf_PLAT971_2_a                 
;
PROBLEM: Check Calcd Resid. Dens.  1.30A   From C32             2.07 eA-3
RESPONSE: The residual positive and negative peaks are comparable in
magnitude and are likely to result due to problematic absorption
correction.
;
_vrf_PLAT978_2_a                 
;
PROBLEM: Number C-C Bonds with Positive Residual Density.          0 Info
RESPONSE: The difference peaks of both signs lie randomly throughout the
structure, which indicates problematic absorption correction likely due to the
presence of a very heavy atom.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_Oslamb
_database_code_depnum_ccdc_archive 'CCDC 1995741'
loop_
_audit_author_name
_audit_author_address
'Sergei Ivlev'
;Philipps University of Marburg
Germany
;
_audit_update_record             
;
2020-04-08 deposited with the CCDC.	2020-06-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C29 H23 N5 O Os, 2(F6 P)'
_chemical_formula_sum            'C29 H23 F12 N5 O Os P2'
_chemical_formula_weight         937.66

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'
F F 0.0171 0.0103 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   14.2056(8)
_cell_length_b                   15.5349(9)
_cell_length_c                   16.0807(9)
_cell_angle_alpha                70.816(2)
_cell_angle_beta                 78.674(2)
_cell_angle_gamma                76.497(2)
_cell_volume                     3231.2(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100
_cell_measurement_reflns_used    9984
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      28.02

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.927
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.106
_exptl_crystal_size_mid          0.073
_exptl_crystal_size_min          0.064
_exptl_absorpt_coefficient_mu    4.149
_shelx_estimated_absorpt_T_min   0.667
_shelx_estimated_absorpt_T_max   0.777
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.686536
_exptl_absorpt_correction_T_max  0.745687
_exptl_absorpt_process_details   
;TWINABS - Bruker AXS scaling for twinned crystals - Version 2012/1
;

_diffrn_ambient_temperature      100
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector                 'PHOTON 100'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.00
_diffrn_source_power             0.050
_diffrn_radiation_collimation    '0.3 mm diameter'

_diffrn_reflns_number            243051
_diffrn_reflns_av_unetI/netI     0.0692
_diffrn_reflns_av_R_equivalents  0.0743
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.137
_diffrn_reflns_theta_max         28.363
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_point_group_measured_fraction_full 0.962
_reflns_number_total             30785
_reflns_number_gt                26058
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.908
_reflns_Friedel_fraction_max     0.906
_reflns_Friedel_fraction_full    0.925

_reflns_special_details          
;
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond v4.6.2 (Brandenburg, 2020)'
_computing_publication_material  'SAINT V8.38A (Bruker AXS Inc., 2017)'

_refine_special_details          
;Refined as a 2-component non-merohedral twin.
 Residual density belonging to a disordered solvent molecule
 was eliminated using the SQUEEZE algorithm.,Twin,SQUEEZE
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0366P)²+9.7390P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 10334 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.014(2)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         30785
_refine_ls_number_parameters     1814
_refine_ls_number_restraints     471
_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0476
_refine_ls_wR_factor_ref         0.0886
_refine_ls_wR_factor_gt          0.0831
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.31699(3) 0.38161(3) 0.65573(3) 0.01663(10) Uani 1 1 d . . . . .
C1 C 0.4131(9) 0.3151(9) 0.8339(8) 0.021(3) Uani 1 1 d . . . . .
H1 H 0.461281 0.351194 0.801386 0.026 Uiso 1 1 calc R U . . .
O1 O 0.2385(7) 0.4751(7) 0.4809(7) 0.033(2) Uani 1 1 d . . . . .
N1 N 0.4396(7) 0.4548(7) 0.6214(7) 0.022(2) Uani 1 1 d . . . . .
F1 F 0.7708(10) 0.1022(9) 0.8130(10) 0.117(5) Uani 1 1 d . U . . .
P1 P 0.6901(3) 0.1833(2) 0.7717(3) 0.0382(8) Uani 1 1 d . U . . .
Os2 Os 0.63217(3) 0.82002(3) 0.73507(3) 0.01859(11) Uani 1 1 d . . . . .
C2 C 0.4206(9) 0.2696(8) 0.9227(8) 0.027(3) Uani 1 1 d . . . . .
H2 H 0.473456 0.272752 0.949067 0.032 Uiso 1 1 calc R U . . .
O2 O 0.5262(7) 0.8992(7) 0.5755(6) 0.031(2) Uani 1 1 d . . . . .
N2 N 0.1949(7) 0.6645(6) 0.7398(6) 0.0259(18) Uani 1 1 d . . . . .
F2 F 0.6101(10) 0.1286(11) 0.8254(18) 0.194(10) Uani 1 1 d . U . . .
P2 P 0.9051(3) 0.4395(4) 0.9005(3) 0.0519(11) Uani 1 1 d . U . . .
Os3 Os 0.73569(3) 0.69497(3) 0.29640(3) 0.02702(13) Uani 1 1 d . . . . .
C3 C 0.3495(8) 0.2196(8) 0.9720(8) 0.028(3) Uani 1 1 d . . . . .
H3 H 0.351462 0.189210 1.033613 0.034 Uiso 1 1 calc R U . . .
O3 O 0.8031(8) 0.5983(8) 0.4751(7) 0.047(3) Uani 1 1 d . . . . .
N3 N 0.3443(7) 0.3125(6) 0.7906(6) 0.0171(19) Uani 1 1 d . . . . .
F3 F 0.7059(14) 0.1443(13) 0.6927(13) 0.153(7) Uani 1 1 d . U . . .
P3 P 0.2426(2) 0.0085(2) 0.6870(3) 0.0310(7) Uani 1 1 d . U . . .
Os4 Os 0.31648(4) 0.35586(4) 0.26523(3) 0.02979(13) Uani 1 1 d . U . . .
C4 C 0.2739(8) 0.2141(7) 0.9298(8) 0.022(2) Uani 1 1 d . . . . .
O4 O 0.4163(8) 0.2957(7) 0.4295(7) 0.043(3) Uani 1 1 d . . . . .
N4 N 0.0547(7) 0.2119(7) 0.7899(7) 0.025(2) Uani 1 1 d . . . . .
F4 F 0.7687(11) 0.2428(9) 0.7222(9) 0.115(5) Uani 1 1 d . U . . .
P4 P 0.7578(4) 0.0868(4) 0.3029(3) 0.0624(12) Uani 1 1 d . U . . .
F24 F 0.7256(10) 0.0372(9) 0.2455(8) 0.090(4) Uani 1 1 d . U . . .
C24 C 0.1610(9) 0.5202(9) 0.7402(8) 0.024(2) Uani 1 1 d . . . . .
H24 H 0.115468 0.479292 0.757988 0.029 Uiso 1 1 calc R U . . .
P5 P 1.0686(2) 0.7801(2) 0.5230(2) 0.0310(7) Uani 1 1 d . U . . .
C5 C 0.2719(7) 0.2628(7) 0.8405(7) 0.018(2) Uani 1 1 d . . . . .
N5 N 0.4051(8) 0.2644(7) 0.6265(7) 0.023(2) Uani 1 1 d . . . . .
F5 F 0.6682(15) 0.2311(12) 0.8441(10) 0.139(6) Uani 1 1 d . U . . .
F25 F 1.1271(8) 0.8420(8) 0.5458(7) 0.070(3) Uani 1 1 d . U . . .
C25 C 0.1359(11) 0.6041(9) 0.7590(9) 0.034(3) Uani 1 1 d . . . . .
H25 H 0.071848 0.619374 0.787670 0.041 Uiso 1 1 calc R U . . .
P8 P 0.3417(3) 0.9701(4) 0.1804(3) 0.0584(12) Uani 1 1 d . U . . .
C8 C 0.1254(8) 0.2106(8) 0.8372(8) 0.024(2) Uani 1 1 d . . . . .
N8 N 0.7244(7) 0.7763(7) 0.8394(6) 0.024(2) Uani 1 1 d . . . . .
F8 F 0.8838(9) 0.3906(9) 1.0008(6) 0.088(4) Uani 1 1 d . U . . .
F13 F 0.3248(8) -0.0758(7) 0.7232(8) 0.075(3) Uani 1 1 d . U . . .
C13 C -0.0239(9) 0.1561(9) 0.8345(10) 0.040(3) Uani 1 1 d . . . . .
H13A H -0.069090 0.164901 0.792203 0.060 Uiso 1 1 calc R U . . .
H13B H -0.059674 0.176457 0.885364 0.060 Uiso 1 1 calc R U . . .
H13C H 0.005450 0.090285 0.854960 0.060 Uiso 1 1 calc R U . . .
N13 N 0.7014(7) 0.7841(8) 0.1671(7) 0.030(2) Uani 1 1 d . . . . .
F14 F 0.1669(8) -0.0348(10) 0.7676(8) 0.088(4) Uani 1 1 d . U . . .
C14 C 0.5304(8) 0.4318(8) 0.5828(8) 0.022(2) Uani 1 1 d . . . . .
H14 H 0.549281 0.372779 0.572961 0.027 Uiso 1 1 calc R U . . .
N14 N 0.9693(8) 0.9033(8) 0.1930(8) 0.035(3) Uani 1 1 d . . . . .
C16 C 0.5725(9) 0.5758(8) 0.5709(7) 0.026(3) Uani 1 1 d . . . . .
H16 H 0.617903 0.616738 0.553132 0.032 Uiso 1 1 calc R U . . .
N16 N 0.2424(7) 0.3770(7) 0.1548(7) 0.028(2) Uani 1 1 d . . . . .
F16 F 0.3146(9) 0.0526(8) 0.6036(7) 0.084(3) Uani 1 1 d . U . . .
C17 C 0.4793(8) 0.6015(8) 0.6117(7) 0.022(2) Uani 1 1 d . . . . .
N17 N 0.1147(8) 0.1207(8) 0.3597(8) 0.039(3) Uani 1 1 d . . . . .
F17 F 0.2716(8) 0.0646(7) 0.7407(7) 0.071(3) Uani 1 1 d . U . . .
C18 C 0.4151(9) 0.5402(8) 0.6358(8) 0.020(2) Uani 1 1 d . . . . .
N18 N 0.3988(11) 0.4623(12) 0.1889(9) 0.061(3) Uani 1 1 d . U . . .
F18 F 0.1563(9) 0.0905(7) 0.6527(10) 0.103(5) Uani 1 1 d . U . . .
N19 N 0.5908(11) 0.2104(14) 0.1065(9) 0.079(3) Uani 1 1 d . U . . .
F19 F 0.7923(12) 0.1373(9) 0.3589(8) 0.110(5) Uani 1 1 d . U . . .
C19 C 0.4440(9) 0.6888(8) 0.6304(7) 0.025(2) Uani 1 1 d . . . . .
H19 H 0.486263 0.732587 0.613637 0.030 Uiso 1 1 calc R U . . .
N20 N 0.2032(10) 0.4558(9) 0.3039(9) 0.037(3) Uani 1 1 d . . . . .
C20 C 0.3534(9) 0.7107(7) 0.6708(7) 0.024(2) Uani 1 1 d . . . . .
H20 H 0.332497 0.768833 0.682296 0.029 Uiso 1 1 calc R U . . .
F20 F 0.8173(14) -0.0068(10) 0.3520(11) 0.141(7) Uani 1 1 d . U . . .
F21 F 0.8487(10) 0.1075(12) 0.2263(12) 0.130(6) Uani 1 1 d . U . . .
C21 C 0.2891(8) 0.6460(7) 0.6961(7) 0.0206(19) Uani 1 1 d . . . . .
F22 F 0.6993(12) 0.1817(10) 0.2530(9) 0.125(6) Uani 1 1 d . U . . .
C22 C 0.3169(8) 0.5611(7) 0.6771(7) 0.0180(19) Uani 1 1 d . . . . .
C23 C 0.2540(8) 0.4949(8) 0.6947(8) 0.017(2) Uani 1 1 d . . . . .
F23 F 0.6655(13) 0.0656(13) 0.3772(10) 0.139(6) Uani 1 1 d . U . . .
C26 C 0.1602(10) 0.7522(8) 0.7623(9) 0.038(3) Uani 1 1 d . . . . .
H26A H 0.163421 0.804478 0.707940 0.057 Uiso 1 1 calc R U . . .
H26B H 0.201620 0.755974 0.802646 0.057 Uiso 1 1 calc R U . . .
H26C H 0.092612 0.754576 0.791293 0.057 Uiso 1 1 calc R U . . .
F26 F 1.1171(5) 0.8112(6) 0.4215(5) 0.048(2) Uani 1 1 d . U . . .
C27 C 0.2732(9) 0.4372(8) 0.5478(9) 0.023(3) Uani 1 1 d . . . . .
F27 F 1.1586(6) 0.6955(7) 0.5450(6) 0.064(3) Uani 1 1 d . U . . .
C28 C 0.4562(9) 0.2017(9) 0.6136(8) 0.025(3) Uani 1 1 d . . . . .
F28 F 1.0199(6) 0.7482(6) 0.6247(5) 0.047(2) Uani 1 1 d . U . . .
F29 F 0.9804(6) 0.8634(6) 0.5003(6) 0.057(2) Uani 1 1 d . U . . .
C29 C 0.5207(11) 0.1204(9) 0.5932(10) 0.040(3) Uani 1 1 d . . . . .
H29A H 0.556168 0.139553 0.533302 0.060 Uiso 1 1 calc R U . . .
H29B H 0.481562 0.074990 0.596216 0.060 Uiso 1 1 calc R U . . .
H29C H 0.567453 0.092542 0.636388 0.060 Uiso 1 1 calc R U . . .
F30 F 1.0130(6) 0.7145(6) 0.4994(5) 0.049(2) Uani 1 1 d . U . . .
C30 C 0.4576(8) 0.7217(9) 0.8522(8) 0.027(3) Uani 1 1 d . . . . .
H30 H 0.427315 0.780305 0.860068 0.032 Uiso 1 1 calc R U . . .
C31 C 0.4080(10) 0.6458(10) 0.8923(9) 0.036(3) Uani 1 1 d . . . . .
H31 H 0.345469 0.654127 0.926023 0.043 Uiso 1 1 calc R U . . .
F31 F 0.0126(12) 0.2740(11) 0.4926(10) 0.126(6) Uani 1 1 d . U . . .
F32 F -0.1397(14) 0.3181(11) 0.5313(11) 0.154(8) Uani 1 1 d . U . . .
C32 C 0.4498(10) 0.5617(9) 0.8825(9) 0.034(3) Uani 1 1 d . . . . .
H32 H 0.417396 0.510339 0.910066 0.040 Uiso 1 1 calc R U . . .
F34 F 0.0005(10) 0.3654(9) 0.3557(7) 0.093(4) Uani 1 1 d . U . . .
C34 C 0.5866(8) 0.6296(7) 0.7922(7) 0.020(2) Uani 1 1 d . . . . .
F33 F -0.0971(11) 0.2609(8) 0.4179(8) 0.091(4) Uani 1 1 d . U . . .
C33 C 0.5409(9) 0.5506(8) 0.8314(8) 0.026(3) Uani 1 1 d . . . . .
C35 C 0.5947(10) 0.4642(9) 0.8166(9) 0.033(3) Uani 1 1 d . . . . .
H35 H 0.568012 0.409450 0.844454 0.039 Uiso 1 1 calc R U . . .
F35 F -0.0344(10) 0.4198(9) 0.4695(9) 0.108(5) Uani 1 1 d . U . . .
C36 C 0.6816(10) 0.4591(8) 0.7645(8) 0.031(3) Uani 1 1 d . . . . .
H36 H 0.714753 0.401470 0.755849 0.037 Uiso 1 1 calc R U . . .
F36 F -0.1562(12) 0.4140(12) 0.3956(16) 0.197(11) Uani 1 1 d . U . . .
F37 F 0.1549(16) 0.6109(10) 0.1239(11) 0.157(8) Uani 1 1 d . U . . .
C37 C 0.7248(9) 0.5424(7) 0.7214(8) 0.026(2) Uani 1 1 d . U . . .
F38 F 0.0133(10) 0.7079(12) 0.1118(10) 0.125(5) Uani 1 1 d . U . . .
C38 C 0.6765(8) 0.6252(7) 0.7367(7) 0.022(2) Uani 1 1 d . U . . .
F39 F 0.1059(11) 0.6711(10) -0.0098(8) 0.110(5) Uani 1 1 d . U . . .
C39 C 0.7142(10) 0.7129(9) 0.6944(9) 0.024(3) Uani 1 1 d . U . . .
C40 C 0.8044(8) 0.7015(8) 0.6419(8) 0.025(2) Uani 1 1 d . U . . .
H40 H 0.835367 0.753540 0.612879 0.029 Uiso 1 1 calc R U . . .
F40 F 0.2263(11) 0.7078(18) 0.0244(15) 0.183(9) Uani 1 1 d . U . . .
C41 C 0.8484(10) 0.6179(9) 0.6316(9) 0.026(3) Uani 1 1 d . U . . .
H41 H 0.909503 0.614536 0.594894 0.031 Uiso 1 1 calc R U . . .
F41 F 0.1419(11) 0.7498(11) 0.1377(9) 0.111(5) Uani 1 1 d . U . . .
C42 C 0.8660(11) 0.4530(9) 0.6507(9) 0.044(3) Uani 1 1 d . . . . .
H42A H 0.824517 0.429442 0.624370 0.066 Uiso 1 1 calc R U . . .
H42B H 0.884207 0.406683 0.706041 0.066 Uiso 1 1 calc R U . . .
H42C H 0.925048 0.465594 0.609053 0.066 Uiso 1 1 calc R U . . .
F42 F 0.0864(14) 0.8103(13) 0.0102(11) 0.148(7) Uani 1 1 d . U . . .
C43 C 0.7240(12) 0.7076(12) 0.9137(10) 0.041(4) Uani 1 1 d . . . . .
H43 H 0.675671 0.670103 0.927297 0.050 Uiso 1 1 calc R U . . .
F43 F 0.3941(8) 0.8664(8) 0.1901(7) 0.084(3) Uani 1 1 d . U . . .
C44 C 0.7901(12) 0.6872(10) 0.9732(10) 0.048(4) Uani 1 1 d . . . . .
H44 H 0.785118 0.637674 1.026637 0.057 Uiso 1 1 calc R U . . .
F44 F 0.2663(9) 0.9370(10) 0.2648(7) 0.101(5) Uani 1 1 d . U . . .
C45 C 0.8618(12) 0.7370(10) 0.9559(10) 0.048(4) Uani 1 1 d . . . . .
H45 H 0.907311 0.723076 0.996688 0.058 Uiso 1 1 calc R U . . .
F45 F 0.2705(9) 0.9596(8) 0.1188(8) 0.085(4) Uani 1 1 d . U . . .
C46 C 0.8676(9) 0.8105(9) 0.8755(9) 0.033(3) Uani 1 1 d . . . . .
F46 F 0.4122(7) 1.0030(7) 0.0924(6) 0.066(3) Uani 1 1 d . U . . .
C47 C 0.7994(8) 0.8262(8) 0.8183(7) 0.023(2) Uani 1 1 d . . . . .
F47 F 0.4134(8) 0.9779(10) 0.2392(7) 0.093(4) Uani 1 1 d . U . . .
F48 F 0.2900(7) 1.0764(7) 0.1691(6) 0.067(3) Uani 1 1 d . U . . .
C48 C 0.9400(9) 0.8667(9) 0.8490(9) 0.034(3) Uani 1 1 d . . . . .
H48 H 0.986314 0.858023 0.887726 0.041 Uiso 1 1 calc R U . . .
C49 C 0.9441(8) 0.9312(9) 0.7709(9) 0.031(3) Uani 1 1 d . . . . .
H49 H 0.993236 0.968170 0.754686 0.038 Uiso 1 1 calc R U . . .
C50 C 0.8762(8) 0.9464(8) 0.7107(8) 0.024(3) Uani 1 1 d . . . . .
C53 C 0.7454(9) 0.9674(8) 0.5945(9) 0.025(3) Uani 1 1 d . . . . .
H53 H 0.704335 0.975233 0.551471 0.030 Uiso 1 1 calc R U . . .
C52 C 0.7303(9) 0.9029(8) 0.6793(8) 0.020(3) Uani 1 1 d . . . . .
C51 C 0.8037(8) 0.8936(8) 0.7341(8) 0.020(3) Uani 1 1 d . . . . .
C55 C 0.9507(10) 1.0745(11) 0.6023(10) 0.046(4) Uani 1 1 d . . . . .
H55A H 0.945469 1.114456 0.541275 0.069 Uiso 1 1 calc R U . . .
H55B H 1.017509 1.039518 0.606343 0.069 Uiso 1 1 calc R U . . .
H55C H 0.934776 1.112766 0.642715 0.069 Uiso 1 1 calc R U . . .
C54 C 0.8173(8) 1.0184(8) 0.5729(8) 0.025(3) Uani 1 1 d . . . . .
H54 H 0.822163 1.063107 0.516074 0.031 Uiso 1 1 calc R U . . .
C59 C 0.6261(12) 0.7843(15) 0.1264(11) 0.059(6) Uani 1 1 d . . . . .
H59 H 0.583686 0.740730 0.152821 0.071 Uiso 1 1 calc R U . . .
C58 C 0.4294(12) 1.0359(11) 0.8688(12) 0.054(5) Uani 1 1 d . . . . .
H58A H 0.453079 1.094791 0.843458 0.081 Uiso 1 1 calc R U . . .
H58B H 0.428868 1.015425 0.933403 0.081 Uiso 1 1 calc R U . . .
H58C H 0.363012 1.044471 0.854989 0.081 Uiso 1 1 calc R U . . .
C57 C 0.4935(10) 0.9662(8) 0.8311(8) 0.028(3) Uani 1 1 d . . . . .
C56 C 0.5663(9) 0.8663(7) 0.6376(8) 0.021(2) Uani 1 1 d . . . . .
C60 C 0.6127(11) 0.8536(13) 0.0408(10) 0.056(5) Uani 1 1 d . . . . .
H60 H 0.558657 0.857087 0.012413 0.067 Uiso 1 1 calc R U . . .
C61 C 0.6750(10) 0.9127(12) 0.0010(8) 0.051(4) Uani 1 1 d . . . . .
H61 H 0.665784 0.955672 -0.055798 0.061 Uiso 1 1 calc R U . . .
C62 C 0.7523(10) 0.9114(11) 0.0421(8) 0.043(4) Uani 1 1 d . . . . .
C63 C 0.7617(8) 0.8455(9) 0.1279(8) 0.029(3) Uani 1 1 d . . . . .
C64 C 0.8230(11) 0.9711(10) 0.0084(9) 0.046(4) Uani 1 1 d . . . . .
H64 H 0.819883 1.014704 -0.048934 0.055 Uiso 1 1 calc R U . . .
C65 C 0.8947(11) 0.9678(11) 0.0555(10) 0.044(4) Uani 1 1 d . . . . .
H65 H 0.941203 1.007501 0.030311 0.053 Uiso 1 1 calc R U . . .
C66 C 0.8994(9) 0.9047(9) 0.1421(9) 0.034(3) Uani 1 1 d . . . . .
C67 C 0.8354(9) 0.8433(10) 0.1772(9) 0.031(3) Uani 1 1 d . . . . .
C68 C 0.8327(8) 0.7792(9) 0.2664(8) 0.023(3) Uani 1 1 d . . . . .
C69 C 0.9017(10) 0.7851(10) 0.3133(10) 0.034(3) Uani 1 1 d . . . . .
H69 H 0.905082 0.745992 0.372487 0.041 Uiso 1 1 calc R U . . .
C70 C 0.9654(10) 0.8462(10) 0.2763(9) 0.040(3) Uani 1 1 d . . . . .
H70 H 1.009952 0.847954 0.312481 0.048 Uiso 1 1 calc R U . . .
C71 C 1.0436(12) 0.9615(11) 0.1574(12) 0.053(4) Uani 1 1 d . . . . .
H71A H 1.082740 0.946670 0.104878 0.080 Uiso 1 1 calc R U . . .
H71B H 1.086025 0.950166 0.202609 0.080 Uiso 1 1 calc R U . . .
H71C H 1.011935 1.026917 0.140885 0.080 Uiso 1 1 calc R U . . .
C72 C 0.6235(12) 0.5330(10) 0.3130(10) 0.045(4) Uani 1 1 d . . . . .
H72 H 0.685144 0.502237 0.292093 0.054 Uiso 1 1 calc R U . . .
C73 C 0.5429(11) 0.4887(11) 0.3345(10) 0.042(4) Uani 1 1 d . . . . .
H73 H 0.549085 0.429891 0.326012 0.051 Uiso 1 1 calc R U . . .
C74 C 0.4572(10) 0.5305(11) 0.3673(8) 0.038(3) Uani 1 1 d . . . . .
H74 H 0.402601 0.500133 0.383876 0.045 Uiso 1 1 calc R U . . .
C75 C 0.4466(10) 0.6199(10) 0.3777(8) 0.035(3) Uani 1 1 d . . . . .
C76 C 0.5320(9) 0.6596(10) 0.3554(8) 0.029(3) Uani 1 1 d . . . . .
C77 C 0.3598(10) 0.6709(10) 0.4120(9) 0.038(3) Uani 1 1 d . . . . .
H77 H 0.301782 0.645566 0.427736 0.046 Uiso 1 1 calc R U . . .
C78 C 0.3567(9) 0.7543(11) 0.4231(8) 0.036(3) Uani 1 1 d . . . . .
H78 H 0.296901 0.787525 0.444404 0.044 Uiso 1 1 calc R U . . .
C79 C 0.4449(8) 0.7922(9) 0.4022(7) 0.029(3) Uani 1 1 d . . . . .
C80 C 0.5321(8) 0.7437(9) 0.3683(7) 0.028(3) Uani 1 1 d . . . . .
C81 C 0.6230(9) 0.7811(10) 0.3491(8) 0.026(3) Uani 1 1 d . . . . .
C82 C 0.6195(10) 0.8604(10) 0.3633(8) 0.036(3) Uani 1 1 d . . . . .
H82 H 0.677533 0.884833 0.353042 0.043 Uiso 1 1 calc R U . . .
C83 C 0.5292(13) 0.9097(12) 0.3938(10) 0.041(4) Uani 1 1 d . . . . .
H83 H 0.527327 0.968998 0.399701 0.049 Uiso 1 1 calc R U . . .
C84 C 0.3570(10) 0.9317(11) 0.4485(9) 0.048(4) Uani 1 1 d . . . . .
H84A H 0.309357 0.950858 0.406289 0.073 Uiso 1 1 calc R U . . .
H84B H 0.372935 0.986759 0.455555 0.073 Uiso 1 1 calc R U . . .
H84C H 0.329178 0.894301 0.506066 0.073 Uiso 1 1 calc R U . . .
C85 C 0.7762(10) 0.6323(9) 0.4065(9) 0.033(3) Uani 1 1 d . . . . .
C86 C 0.8863(13) 0.5569(11) 0.1988(12) 0.048(4) Uani 1 1 d . . . . .
C87 C 0.9597(16) 0.4937(14) 0.1552(12) 0.080(7) Uani 1 1 d . . . . .
H87A H 0.926045 0.456445 0.136181 0.121 Uiso 1 1 calc R U . . .
H87B H 1.003998 0.452537 0.197518 0.121 Uiso 1 1 calc R U . . .
H87C H 0.997330 0.530456 0.103469 0.121 Uiso 1 1 calc R U . . .
C88 C 0.2465(11) 0.4438(9) 0.0778(9) 0.032(3) Uani 1 1 d . . . . .
H88 H 0.281295 0.491733 0.069923 0.038 Uiso 1 1 calc R U . . .
C89 C 0.1992(11) 0.4447(11) 0.0063(10) 0.045(4) Uani 1 1 d . . . . .
H89 H 0.209928 0.487921 -0.050754 0.054 Uiso 1 1 calc R U . . .
C90 C 0.1387(10) 0.3833(11) 0.0206(10) 0.047(4) Uani 1 1 d . . . . .
H90 H 0.104830 0.385490 -0.025610 0.056 Uiso 1 1 calc R U . . .
C91 C 0.1268(9) 0.3166(10) 0.1044(10) 0.039(3) Uani 1 1 d . . . . .
C92 C 0.1819(9) 0.3155(9) 0.1706(8) 0.032(3) Uani 1 1 d . . . . .
C93 C 0.0617(11) 0.2524(12) 0.1304(12) 0.051(4) Uani 1 1 d . . . . .
H93 H 0.021297 0.253145 0.089491 0.061 Uiso 1 1 calc R U . . .
C94 C 0.0564(10) 0.1908(11) 0.2120(13) 0.050(4) Uani 1 1 d . . . . .
H94 H 0.012360 0.148808 0.226655 0.060 Uiso 1 1 calc R U . . .
C95 C 0.1152(10) 0.1857(10) 0.2786(10) 0.039(3) Uani 1 1 d . . . . .
C96 C 0.1764(9) 0.2501(9) 0.2573(9) 0.031(3) Uani 1 1 d . . . . .
C97 C 0.2366(9) 0.2562(9) 0.3164(9) 0.028(3) Uani 1 1 d . . . . .
C98 C 0.2286(10) 0.1888(9) 0.3982(9) 0.036(3) Uani 1 1 d . . . . .
H98 H 0.265628 0.186553 0.442216 0.043 Uiso 1 1 calc R U . . .
C99 C 0.1682(10) 0.1249(10) 0.4172(10) 0.040(3) Uani 1 1 d . . . . .
H99 H 0.164632 0.081372 0.474744 0.048 Uiso 1 1 calc R U . . .
C100 C 0.0561(13) 0.0454(11) 0.3846(13) 0.065(5) Uani 1 1 d . . . . .
H01A H -0.013547 0.072640 0.387391 0.098 Uiso 1 1 calc R U . . .
H01B H 0.069876 0.002227 0.442695 0.098 Uiso 1 1 calc R U . . .
H01C H 0.073737 0.012090 0.339895 0.098 Uiso 1 1 calc R U . . .
C101 C 0.3771(14) 0.5580(15) 0.1828(12) 0.068(3) Uani 1 1 d . U . . .
H101 H 0.319363 0.581435 0.215732 0.081 Uiso 1 1 calc R U . . .
C102 C 0.4376(15) 0.6168(17) 0.1308(13) 0.075(4) Uani 1 1 d . U . . .
H102 H 0.422766 0.680500 0.128077 0.090 Uiso 1 1 calc R U . . .
C103 C 0.5173(15) 0.5842(17) 0.0841(13) 0.080(4) Uani 1 1 d . U . . .
H103 H 0.556437 0.627155 0.045701 0.096 Uiso 1 1 calc R U . . .
C104 C 0.5466(15) 0.4957(18) 0.0869(13) 0.081(3) Uani 1 1 d . U . . .
C105 C 0.4772(14) 0.4325(16) 0.1437(12) 0.068(3) Uani 1 1 d . U . . .
C106 C 0.6234(16) 0.4539(18) 0.0445(13) 0.092(4) Uani 1 1 d . U . . .
H106 H 0.670203 0.491447 0.011583 0.110 Uiso 1 1 calc R U . . .
C107 C 0.6459(15) 0.3629(18) 0.0408(13) 0.089(4) Uani 1 1 d . U . . .
H107 H 0.700418 0.341440 0.003311 0.107 Uiso 1 1 calc R U . . .
C108 C 0.5790(14) 0.3028(17) 0.0990(11) 0.080(3) Uani 1 1 d . U . . .
C109 C 0.4982(12) 0.3393(15) 0.1468(11) 0.065(3) Uani 1 1 d . U . . .
C110 C 0.4268(12) 0.2774(14) 0.2090(10) 0.050(3) Uani 1 1 d . U . . .
C111 C 0.4461(12) 0.1843(15) 0.2142(11) 0.061(3) Uani 1 1 d . U . . .
H111 H 0.405821 0.143333 0.254183 0.073 Uiso 1 1 calc R U . . .
C112 C 0.5274(15) 0.1513(18) 0.1586(13) 0.072(3) Uani 1 1 d . U . . .
H112 H 0.538534 0.089168 0.156950 0.086 Uiso 1 1 calc R U . . .
C113 C 0.6805(16) 0.1619(19) 0.0573(13) 0.120(7) Uani 1 1 d . U . . .
H02A H 0.675148 0.097112 0.068843 0.180 Uiso 1 1 calc R U . . .
H02B H 0.739849 0.164223 0.078285 0.180 Uiso 1 1 calc R U . . .
H02C H 0.683668 0.193434 -0.006675 0.180 Uiso 1 1 calc R U . . .
C114 C 0.3776(11) 0.3206(10) 0.3658(9) 0.034(3) Uani 1 1 d . . . . .
C115 C 0.1403(12) 0.5110(11) 0.3215(10) 0.043(4) Uani 1 1 d . . . . .
C116 C 0.0646(12) 0.5821(10) 0.3462(12) 0.053(4) Uani 1 1 d . . . . .
H03A H 0.087759 0.605547 0.386662 0.080 Uiso 1 1 calc R U . . .
H03B H 0.006149 0.555704 0.375830 0.080 Uiso 1 1 calc R U . . .
H03C H 0.048835 0.633003 0.292786 0.080 Uiso 1 1 calc R U . . .
P6 P -0.0737(4) 0.3424(3) 0.4418(3) 0.0637(14) Uani 1 1 d . U . . .
N6 N 0.5440(7) 0.7139(7) 0.8046(7) 0.021(2) Uani 1 1 d . . . . .
C6 C 0.1969(8) 0.1620(9) 0.9731(9) 0.031(3) Uani 1 1 d . . . . .
H6 H 0.195537 0.128733 1.034448 0.037 Uiso 1 1 calc R U . . .
F6 F 0.6126(10) 0.2645(12) 0.7243(10) 0.144(7) Uani 1 1 d . U . . .
F7 F 1.0030(7) 0.3683(10) 0.8959(9) 0.090(4) Uani 1 1 d . U . . .
N7 N 0.8123(7) 0.5388(6) 0.6695(6) 0.027(2) Uani 1 1 d . U . . .
C7 C 0.1270(9) 0.1592(9) 0.9290(9) 0.035(3) Uani 1 1 d . . . . .
H7 H 0.078345 0.122801 0.959022 0.042 Uiso 1 1 calc R U . . .
P7 P 0.1233(4) 0.7115(4) 0.0637(4) 0.0781(16) Uani 1 1 d . U . . .
F9 F 0.8513(8) 0.3735(9) 0.8758(9) 0.081(3) Uani 1 1 d . U . . .
N9 N 0.8815(7) 1.0089(8) 0.6274(7) 0.028(2) Uani 1 1 d . . . . .
C9 C 0.1960(8) 0.2624(8) 0.7931(8) 0.018(2) Uani 1 1 d . . . . .
F10 F 0.9355(10) 0.4877(13) 0.8004(8) 0.119(6) Uani 1 1 d . U . . .
N10 N 0.5433(8) 0.9138(8) 0.7986(8) 0.029(3) Uani 1 1 d . . . . .
C10 C 0.2029(8) 0.3169(7) 0.7014(8) 0.017(2) Uani 1 1 d . . . . .
F11 F 0.9599(8) 0.5055(8) 0.9239(8) 0.076(3) Uani 1 1 d . U . . .
N11 N 0.6164(9) 0.6161(8) 0.3209(8) 0.034(3) Uani 1 1 d . . . . .
C11 C 0.1266(9) 0.3118(8) 0.6585(8) 0.024(3) Uani 1 1 d . . . . .
H11 H 0.124331 0.345212 0.597469 0.028 Uiso 1 1 calc R U . . .
F12 F 0.8089(7) 0.5098(7) 0.8973(7) 0.069(3) Uani 1 1 d . U . . .
N12 N 0.4473(8) 0.8757(8) 0.4144(7) 0.037(3) Uani 1 1 d . . . . .
C12 C 0.0564(9) 0.2598(8) 0.7034(9) 0.027(3) Uani 1 1 d . . . . .
H12 H 0.007188 0.257447 0.672175 0.032 Uiso 1 1 calc R U . . .
F15 F 0.2109(7) -0.0456(6) 0.6308(6) 0.052(2) Uani 1 1 d . U . . .
N15 N 0.8311(10) 0.6032(10) 0.2305(9) 0.043(3) Uani 1 1 d . . . . .
C15 C 0.5985(9) 0.4902(9) 0.5564(8) 0.029(3) Uani 1 1 d . . . . .
H15 H 0.662010 0.471377 0.528766 0.034 Uiso 1 1 calc R U . . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os1 C27 1.826(14) . ?
Os1 C10 1.996(12) . ?
Os1 C23 2.015(10) . ?
Os1 N5 2.091(11) . ?
Os1 N3 2.148(9) . ?
Os1 N1 2.183(10) . ?
C1 N3 1.321(15) . ?
C1 C2 1.382(17) . ?
C1 H1 0.9500 . ?
O1 C27 1.185(16) . ?
N1 C14 1.339(15) . ?
N1 C18 1.375(15) . ?
F1 P1 1.555(11) . ?
P1 F5 1.524(13) . ?
P1 F2 1.531(14) . ?
P1 F3 1.538(14) . ?
P1 F4 1.544(14) . ?
P1 F6 1.560(11) . ?
Os2 C56 1.835(12) . ?
Os2 C52 1.998(13) . ?
Os2 C39 2.017(15) . ?
Os2 N10 2.091(11) . ?
Os2 N8 2.166(9) . ?
Os2 N6 2.178(10) . ?
C2 C3 1.378(17) . ?
C2 H2 0.9500 . ?
O2 C56 1.155(14) . ?
N2 C25 1.325(17) . ?
N2 C21 1.398(15) . ?
N2 C26 1.473(14) . ?
P2 F12 1.534(10) . ?
P2 F8 1.544(10) . ?
P2 F10 1.557(13) . ?
P2 F7 1.568(11) . ?
P2 F11 1.594(11) . ?
P2 F9 1.595(12) . ?
Os3 C85 1.849(14) . ?
Os3 C68 2.002(12) . ?
Os3 C81 2.069(12) . ?
Os3 N15 2.126(14) . ?
Os3 N13 2.161(10) . ?
Os3 N11 2.218(11) . ?
C3 C4 1.410(16) . ?
C3 H3 0.9500 . ?
O3 C85 1.154(16) . ?
N3 C5 1.392(14) . ?
P3 F13 1.571(9) . ?
P3 F17 1.574(8) . ?
P3 F16 1.580(11) . ?
P3 F18 1.583(10) . ?
P3 F14 1.584(11) . ?
P3 F15 1.600(8) . ?
Os4 C114 1.849(14) . ?
Os4 C97 1.995(13) . ?
Os4 C110 2.010(17) . ?
Os4 N20 2.112(13) . ?
Os4 N16 2.135(10) . ?
Os4 N18 2.148(15) . ?
C4 C5 1.388(15) . ?
C4 C6 1.443(16) . ?
O4 C114 1.166(16) . ?
N4 C12 1.343(16) . ?
N4 C8 1.367(15) . ?
N4 C13 1.498(15) . ?
P4 F20 1.544(14) . ?
P4 F22 1.556(13) . ?
P4 F24 1.567(12) . ?
P4 F19 1.576(12) . ?
P4 F23 1.607(16) . ?
P4 F21 1.612(16) . ?
C24 C25 1.385(18) . ?
C24 C23 1.415(16) . ?
C24 H24 0.9500 . ?
P5 F25 1.573(10) . ?
P5 F29 1.577(9) . ?
P5 F30 1.599(9) . ?
P5 F26 1.603(8) . ?
P5 F27 1.605(9) . ?
P5 F28 1.607(8) . ?
C5 C9 1.439(15) . ?
N5 C28 1.123(16) . ?
C25 H25 0.9500 . ?
P8 F47 1.567(12) . ?
P8 F46 1.573(10) . ?
P8 F44 1.575(11) . ?
P8 F43 1.580(12) . ?
P8 F48 1.609(11) . ?
P8 F45 1.615(12) . ?
C8 C9 1.371(16) . ?
C8 C7 1.431(18) . ?
N8 C43 1.315(17) . ?
N8 C47 1.386(15) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
N13 C63 1.347(16) . ?
N13 C59 1.36(2) . ?
C14 C15 1.390(17) . ?
C14 H14 0.9500 . ?
N14 C70 1.341(18) . ?
N14 C66 1.397(17) . ?
N14 C71 1.459(18) . ?
C16 C15 1.377(17) . ?
C16 C17 1.388(17) . ?
C16 H16 0.9500 . ?
N16 C88 1.330(16) . ?
N16 C92 1.361(16) . ?
C17 C18 1.383(15) . ?
C17 C19 1.441(16) . ?
N17 C99 1.332(18) . ?
N17 C95 1.363(19) . ?
N17 C100 1.495(18) . ?
C18 C22 1.434(16) . ?
N18 C105 1.28(2) . ?
N18 C101 1.42(3) . ?
N19 C108 1.37(3) . ?
N19 C112 1.39(3) . ?
N19 C113 1.54(2) . ?
C19 C20 1.343(17) . ?
C19 H19 0.9500 . ?
N20 C115 1.148(19) . ?
C20 C21 1.423(16) . ?
C20 H20 0.9500 . ?
C21 C22 1.400(14) . ?
C22 C23 1.441(16) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C28 C29 1.468(17) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 N6 1.314(15) . ?
C30 C31 1.419(18) . ?
C30 H30 0.9500 . ?
C31 C32 1.349(19) . ?
C31 H31 0.9500 . ?
F31 P6 1.585(15) . ?
F32 P6 1.540(13) . ?
C32 C33 1.397(18) . ?
C32 H32 0.9500 . ?
F34 P6 1.560(12) . ?
C34 N6 1.370(14) . ?
C34 C38 1.408(16) . ?
C34 C33 1.423(15) . ?
F33 P6 1.559(12) . ?
C33 C35 1.450(18) . ?
C35 C36 1.350(19) . ?
C35 H35 0.9500 . ?
F35 P6 1.648(13) . ?
C36 C37 1.464(16) . ?
C36 H36 0.9500 . ?
F36 P6 1.535(15) . ?
F37 P7 1.559(15) . ?
C37 N7 1.356(16) . ?
C37 C38 1.384(15) . ?
F38 P7 1.606(15) . ?
C38 C39 1.482(16) . ?
F39 P7 1.589(13) . ?
C39 C40 1.397(18) . ?
C40 C41 1.351(16) . ?
C40 H40 0.9500 . ?
F40 P7 1.472(16) . ?
C41 N7 1.350(16) . ?
C41 H41 0.9500 . ?
F41 P7 1.583(14) . ?
C42 N7 1.465(14) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
F42 P7 1.518(17) . ?
C43 C44 1.38(2) . ?
C43 H43 0.9500 . ?
C44 C45 1.35(2) . ?
C44 H44 0.9500 . ?
C45 C46 1.419(19) . ?
C45 H45 0.9500 . ?
C46 C47 1.393(16) . ?
C46 C48 1.416(18) . ?
C47 C51 1.414(16) . ?
C48 C49 1.326(19) . ?
C48 H48 0.9500 . ?
C49 C50 1.425(17) . ?
C49 H49 0.9500 . ?
C50 N9 1.373(16) . ?
C50 C51 1.383(17) . ?
C53 C54 1.360(18) . ?
C53 C52 1.413(18) . ?
C53 H53 0.9500 . ?
C52 C51 1.447(17) . ?
C55 N9 1.487(15) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C54 N9 1.337(16) . ?
C54 H54 0.9500 . ?
C59 C60 1.46(2) . ?
C59 H59 0.9500 . ?
C58 C57 1.458(18) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C57 N10 1.141(16) . ?
C60 C61 1.34(2) . ?
C60 H60 0.9500 . ?
C61 C62 1.38(2) . ?
C61 H61 0.9500 . ?
C62 C63 1.432(17) . ?
C62 C64 1.43(2) . ?
C63 C67 1.421(17) . ?
C64 C65 1.37(2) . ?
C64 H64 0.9500 . ?
C65 C66 1.42(2) . ?
C65 H65 0.9500 . ?
C66 C67 1.381(19) . ?
C67 C68 1.451(18) . ?
C68 C69 1.384(17) . ?
C69 C70 1.38(2) . ?
C69 H69 0.9500 . ?
C70 H70 0.9500 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 N11 1.317(18) . ?
C72 C73 1.40(2) . ?
C72 H72 0.9500 . ?
C73 C74 1.34(2) . ?
C73 H73 0.9500 . ?
C74 C75 1.42(2) . ?
C74 H74 0.9500 . ?
C75 C76 1.419(18) . ?
C75 C77 1.420(19) . ?
C76 N11 1.344(17) . ?
C76 C80 1.389(19) . ?
C77 C78 1.35(2) . ?
C77 H77 0.9500 . ?
C78 C79 1.443(18) . ?
C78 H78 0.9500 . ?
C79 N12 1.384(17) . ?
C79 C80 1.403(16) . ?
C80 C81 1.474(18) . ?
C81 C82 1.31(2) . ?
C82 C83 1.42(2) . ?
C82 H82 0.9500 . ?
C83 N12 1.33(2) . ?
C83 H83 0.9500 . ?
C84 N12 1.490(16) . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C86 N15 1.10(2) . ?
C86 C87 1.49(2) . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 C89 1.435(18) . ?
C88 H88 0.9500 . ?
C89 C90 1.36(2) . ?
C89 H89 0.9500 . ?
C90 C91 1.41(2) . ?
C90 H90 0.9500 . ?
C91 C93 1.42(2) . ?
C91 C92 1.434(17) . ?
C92 C96 1.43(2) . ?
C93 C94 1.35(2) . ?
C93 H93 0.9500 . ?
C94 C95 1.46(2) . ?
C94 H94 0.9500 . ?
C95 C96 1.392(18) . ?
C96 C97 1.435(18) . ?
C97 C98 1.390(19) . ?
C98 C99 1.38(2) . ?
C98 H98 0.9500 . ?
C99 H99 0.9500 . ?
C100 H01A 0.9800 . ?
C100 H01B 0.9800 . ?
C100 H01C 0.9800 . ?
C101 C102 1.36(3) . ?
C101 H101 0.9500 . ?
C102 C103 1.32(3) . ?
C102 H102 0.9500 . ?
C103 C104 1.33(3) . ?
C103 H103 0.9500 . ?
C104 C106 1.32(3) . ?
C104 C105 1.51(3) . ?
C105 C109 1.39(3) . ?
C106 C107 1.39(3) . ?
C106 H106 0.9500 . ?
C107 C108 1.46(3) . ?
C107 H107 0.9500 . ?
C108 C109 1.37(2) . ?
C109 C110 1.54(3) . ?
C110 C111 1.38(3) . ?
C111 C112 1.42(2) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C113 H02A 0.9800 . ?
C113 H02B 0.9800 . ?
C113 H02C 0.9800 . ?
C115 C116 1.45(2) . ?
C116 H03A 0.9800 . ?
C116 H03B 0.9800 . ?
C116 H03C 0.9800 . ?
C6 C7 1.344(18) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C9 C10 1.436(16) . ?
C10 C11 1.424(17) . ?
C11 C12 1.372(18) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C15 H15 0.9500 . ?

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
C27 Os1 C10 91.1(5) . . ?
C27 Os1 C23 90.7(5) . . ?
C10 Os1 C23 96.1(5) . . ?
C27 Os1 N5 97.2(5) . . ?
C10 Os1 N5 91.4(4) . . ?
C23 Os1 N5 169.0(4) . . ?
C27 Os1 N3 170.6(5) . . ?
C10 Os1 N3 79.9(4) . . ?
C23 Os1 N3 87.3(4) . . ?
N5 Os1 N3 86.1(4) . . ?
C27 Os1 N1 94.2(5) . . ?
C10 Os1 N1 173.1(4) . . ?
C23 Os1 N1 79.5(4) . . ?
N5 Os1 N1 92.3(4) . . ?
N3 Os1 N1 94.5(4) . . ?
N3 C1 C2 125.3(11) . . ?
N3 C1 H1 117.3 . . ?
C2 C1 H1 117.3 . . ?
C14 N1 C18 117.0(10) . . ?
C14 N1 Os1 129.6(8) . . ?
C18 N1 Os1 113.2(8) . . ?
F5 P1 F2 86.0(12) . . ?
F5 P1 F3 174.0(10) . . ?
F2 P1 F3 95.2(12) . . ?
F5 P1 F4 90.0(9) . . ?
F2 P1 F4 175.9(11) . . ?
F3 P1 F4 88.7(10) . . ?
F5 P1 F1 98.0(10) . . ?
F2 P1 F1 91.1(9) . . ?
F3 P1 F1 87.9(10) . . ?
F4 P1 F1 89.9(8) . . ?
F5 P1 F6 85.2(9) . . ?
F2 P1 F6 91.0(10) . . ?
F3 P1 F6 88.8(9) . . ?
F4 P1 F6 88.2(10) . . ?
F1 P1 F6 176.3(9) . . ?
C56 Os2 C52 92.5(5) . . ?
C56 Os2 C39 93.7(5) . . ?
C52 Os2 C39 94.2(5) . . ?
C56 Os2 N10 93.2(5) . . ?
C52 Os2 N10 92.8(5) . . ?
C39 Os2 N10 170.1(5) . . ?
C56 Os2 N8 172.3(5) . . ?
C52 Os2 N8 79.9(4) . . ?
C39 Os2 N8 86.0(5) . . ?
N10 Os2 N8 88.2(4) . . ?
C56 Os2 N6 94.6(4) . . ?
C52 Os2 N6 171.1(4) . . ?
C39 Os2 N6 80.2(5) . . ?
N10 Os2 N6 92.1(4) . . ?
N8 Os2 N6 92.8(4) . . ?
C3 C2 C1 118.4(11) . . ?
C3 C2 H2 120.8 . . ?
C1 C2 H2 120.8 . . ?
C25 N2 C21 119.8(10) . . ?
C25 N2 C26 120.0(11) . . ?
C21 N2 C26 120.1(10) . . ?
F12 P2 F8 94.2(7) . . ?
F12 P2 F10 89.6(8) . . ?
F8 P2 F10 175.2(8) . . ?
F12 P2 F7 175.5(7) . . ?
F8 P2 F7 89.8(7) . . ?
F10 P2 F7 86.6(8) . . ?
F12 P2 F11 92.0(6) . . ?
F8 P2 F11 88.6(7) . . ?
F10 P2 F11 88.3(8) . . ?
F7 P2 F11 90.4(6) . . ?
F12 P2 F9 88.5(6) . . ?
F8 P2 F9 92.0(7) . . ?
F10 P2 F9 91.1(8) . . ?
F7 P2 F9 89.2(6) . . ?
F11 P2 F9 179.2(7) . . ?
C85 Os3 C68 92.1(5) . . ?
C85 Os3 C81 92.0(5) . . ?
C68 Os3 C81 95.4(5) . . ?
C85 Os3 N15 95.1(6) . . ?
C68 Os3 N15 92.4(5) . . ?
C81 Os3 N15 169.3(5) . . ?
C85 Os3 N13 171.0(5) . . ?
C68 Os3 N13 79.2(4) . . ?
C81 Os3 N13 86.9(4) . . ?
N15 Os3 N13 87.3(5) . . ?
C85 Os3 N11 93.5(5) . . ?
C68 Os3 N11 173.2(5) . . ?
C81 Os3 N11 80.4(5) . . ?
N15 Os3 N11 91.1(5) . . ?
N13 Os3 N11 95.1(4) . . ?
C2 C3 C4 119.1(11) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C1 N3 C5 116.3(10) . . ?
C1 N3 Os1 130.9(8) . . ?
C5 N3 Os1 112.6(7) . . ?
F13 P3 F17 90.1(6) . . ?
F13 P3 F16 92.2(7) . . ?
F17 P3 F16 89.8(6) . . ?
F13 P3 F18 177.4(8) . . ?
F17 P3 F18 91.0(5) . . ?
F16 P3 F18 90.2(8) . . ?
F13 P3 F14 89.7(7) . . ?
F17 P3 F14 92.0(6) . . ?
F16 P3 F14 177.4(7) . . ?
F18 P3 F14 87.9(8) . . ?
F13 P3 F15 91.7(6) . . ?
F17 P3 F15 178.1(6) . . ?
F16 P3 F15 89.9(6) . . ?
F18 P3 F15 87.1(5) . . ?
F14 P3 F15 88.3(5) . . ?
C114 Os4 C97 92.6(6) . . ?
C114 Os4 C110 90.4(6) . . ?
C97 Os4 C110 94.2(7) . . ?
C114 Os4 N20 96.1(5) . . ?
C97 Os4 N20 92.6(5) . . ?
C110 Os4 N20 170.4(7) . . ?
C114 Os4 N16 171.9(5) . . ?
C97 Os4 N16 80.0(5) . . ?
C110 Os4 N16 86.9(5) . . ?
N20 Os4 N16 87.6(4) . . ?
C114 Os4 N18 96.2(6) . . ?
C97 Os4 N18 170.4(5) . . ?
C110 Os4 N18 81.8(7) . . ?
N20 Os4 N18 90.4(6) . . ?
N16 Os4 N18 91.0(4) . . ?
C5 C4 C3 118.4(10) . . ?
C5 C4 C6 117.0(10) . . ?
C3 C4 C6 124.6(11) . . ?
C12 N4 C8 121.2(10) . . ?
C12 N4 C13 119.4(10) . . ?
C8 N4 C13 119.4(10) . . ?
F20 P4 F22 179.1(12) . . ?
F20 P4 F24 89.4(8) . . ?
F22 P4 F24 91.0(8) . . ?
F20 P4 F19 90.7(8) . . ?
F22 P4 F19 88.9(8) . . ?
F24 P4 F19 178.6(9) . . ?
F20 P4 F23 89.3(11) . . ?
F22 P4 F23 91.4(10) . . ?
F24 P4 F23 91.2(9) . . ?
F19 P4 F23 90.2(9) . . ?
F20 P4 F21 91.3(11) . . ?
F22 P4 F21 88.0(10) . . ?
F24 P4 F21 87.2(7) . . ?
F19 P4 F21 91.4(8) . . ?
F23 P4 F21 178.3(9) . . ?
C25 C24 C23 120.4(12) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
F25 P5 F29 91.6(6) . . ?
F25 P5 F30 177.8(6) . . ?
F29 P5 F30 90.5(5) . . ?
F25 P5 F26 89.7(5) . . ?
F29 P5 F26 89.4(5) . . ?
F30 P5 F26 89.6(5) . . ?
F25 P5 F27 88.6(6) . . ?
F29 P5 F27 179.3(5) . . ?
F30 P5 F27 89.3(6) . . ?
F26 P5 F27 89.9(5) . . ?
F25 P5 F28 90.7(5) . . ?
F29 P5 F28 90.8(5) . . ?
F30 P5 F28 90.0(5) . . ?
F26 P5 F28 179.5(5) . . ?
F27 P5 F28 89.8(5) . . ?
C4 C5 N3 122.3(10) . . ?
C4 C5 C9 121.8(10) . . ?
N3 C5 C9 115.9(9) . . ?
C28 N5 Os1 175.9(11) . . ?
N2 C25 C24 124.6(12) . . ?
N2 C25 H25 117.7 . . ?
C24 C25 H25 117.7 . . ?
F47 P8 F46 92.3(6) . . ?
F47 P8 F44 91.3(7) . . ?
F46 P8 F44 176.4(8) . . ?
F47 P8 F43 89.4(7) . . ?
F46 P8 F43 89.6(6) . . ?
F44 P8 F43 90.5(7) . . ?
F47 P8 F48 90.4(7) . . ?
F46 P8 F48 89.2(5) . . ?
F44 P8 F48 90.6(7) . . ?
F43 P8 F48 178.9(7) . . ?
F47 P8 F45 178.1(8) . . ?
F46 P8 F45 86.8(6) . . ?
F44 P8 F45 89.6(7) . . ?
F43 P8 F45 88.9(7) . . ?
F48 P8 F45 91.2(6) . . ?
N4 C8 C9 117.0(11) . . ?
N4 C8 C7 122.8(11) . . ?
C9 C8 C7 120.1(10) . . ?
C43 N8 C47 117.2(11) . . ?
C43 N8 Os2 130.5(10) . . ?
C47 N8 Os2 112.2(7) . . ?
N4 C13 H13A 109.5 . . ?
N4 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N4 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C63 N13 C59 120.3(13) . . ?
C63 N13 Os3 113.4(8) . . ?
C59 N13 Os3 126.3(11) . . ?
N1 C14 C15 123.2(11) . . ?
N1 C14 H14 118.4 . . ?
C15 C14 H14 118.4 . . ?
C70 N14 C66 117.3(12) . . ?
C70 N14 C71 121.1(12) . . ?
C66 N14 C71 121.6(12) . . ?
C15 C16 C17 119.3(11) . . ?
C15 C16 H16 120.3 . . ?
C17 C16 H16 120.3 . . ?
C88 N16 C92 119.4(11) . . ?
C88 N16 Os4 127.4(9) . . ?
C92 N16 Os4 113.1(8) . . ?
C18 C17 C16 118.6(11) . . ?
C18 C17 C19 117.1(11) . . ?
C16 C17 C19 124.3(11) . . ?
C99 N17 C95 118.6(12) . . ?
C99 N17 C100 120.1(14) . . ?
C95 N17 C100 121.3(13) . . ?
N1 C18 C17 122.9(11) . . ?
N1 C18 C22 114.5(10) . . ?
C17 C18 C22 122.6(10) . . ?
C105 N18 C101 118.1(18) . . ?
C105 N18 Os4 113.2(15) . . ?
C101 N18 Os4 128.7(13) . . ?
C108 N19 C112 125.5(16) . . ?
C108 N19 C113 121(2) . . ?
C112 N19 C113 113(2) . . ?
C20 C19 C17 122.4(10) . . ?
C20 C19 H19 118.8 . . ?
C17 C19 H19 118.8 . . ?
C115 N20 Os4 177.2(12) . . ?
C19 C20 C21 119.4(10) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 H20 120.3 . . ?
N2 C21 C22 116.9(10) . . ?
N2 C21 C20 121.7(10) . . ?
C22 C21 C20 121.4(10) . . ?
C21 C22 C18 116.9(10) . . ?
C21 C22 C23 124.9(10) . . ?
C18 C22 C23 118.3(9) . . ?
C24 C23 C22 113.3(10) . . ?
C24 C23 Os1 132.3(9) . . ?
C22 C23 Os1 114.3(8) . . ?
N2 C26 H26A 109.5 . . ?
N2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O1 C27 Os1 175.3(11) . . ?
N5 C28 C29 177.3(14) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N6 C30 C31 122.5(11) . . ?
N6 C30 H30 118.8 . . ?
C31 C30 H30 118.8 . . ?
C32 C31 C30 119.9(12) . . ?
C32 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C31 C32 C33 119.5(11) . . ?
C31 C32 H32 120.2 . . ?
C33 C32 H32 120.2 . . ?
N6 C34 C38 116.9(10) . . ?
N6 C34 C33 121.6(11) . . ?
C38 C34 C33 121.4(10) . . ?
C32 C33 C34 118.0(11) . . ?
C32 C33 C35 125.3(11) . . ?
C34 C33 C35 116.7(11) . . ?
C36 C35 C33 122.1(11) . . ?
C36 C35 H35 118.9 . . ?
C33 C35 H35 118.9 . . ?
C35 C36 C37 120.0(11) . . ?
C35 C36 H36 120.0 . . ?
C37 C36 H36 120.0 . . ?
N7 C37 C38 119.8(10) . . ?
N7 C37 C36 121.1(10) . . ?
C38 C37 C36 119.0(11) . . ?
C37 C38 C34 120.5(10) . . ?
C37 C38 C39 122.4(11) . . ?
C34 C38 C39 117.0(10) . . ?
C40 C39 C38 112.9(12) . . ?
C40 C39 Os2 133.4(10) . . ?
C38 C39 Os2 113.3(9) . . ?
C41 C40 C39 121.3(12) . . ?
C41 C40 H40 119.4 . . ?
C39 C40 H40 119.4 . . ?
N7 C41 C40 125.1(12) . . ?
N7 C41 H41 117.4 . . ?
C40 C41 H41 117.4 . . ?
N7 C42 H42A 109.5 . . ?
N7 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
N7 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N8 C43 C44 123.5(15) . . ?
N8 C43 H43 118.3 . . ?
C44 C43 H43 118.3 . . ?
C45 C44 C43 120.6(13) . . ?
C45 C44 H44 119.7 . . ?
C43 C44 H44 119.7 . . ?
C44 C45 C46 118.5(12) . . ?
C44 C45 H45 120.7 . . ?
C46 C45 H45 120.7 . . ?
C47 C46 C48 118.3(12) . . ?
C47 C46 C45 117.6(12) . . ?
C48 C46 C45 124.1(12) . . ?
N8 C47 C46 122.4(11) . . ?
N8 C47 C51 116.1(10) . . ?
C46 C47 C51 121.5(11) . . ?
C49 C48 C46 120.9(12) . . ?
C49 C48 H48 119.6 . . ?
C46 C48 H48 119.6 . . ?
C48 C49 C50 121.4(12) . . ?
C48 C49 H49 119.3 . . ?
C50 C49 H49 119.3 . . ?
N9 C50 C51 117.2(11) . . ?
N9 C50 C49 123.0(11) . . ?
C51 C50 C49 119.7(12) . . ?
C54 C53 C52 121.6(12) . . ?
C54 C53 H53 119.2 . . ?
C52 C53 H53 119.2 . . ?
C53 C52 C51 112.3(11) . . ?
C53 C52 Os2 132.8(9) . . ?
C51 C52 Os2 114.9(9) . . ?
C50 C51 C47 118.2(11) . . ?
C50 C51 C52 124.9(12) . . ?
C47 C51 C52 116.9(10) . . ?
N9 C55 H55A 109.5 . . ?
N9 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
N9 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
N9 C54 C53 123.5(11) . . ?
N9 C54 H54 118.3 . . ?
C53 C54 H54 118.3 . . ?
N13 C59 C60 117.7(18) . . ?
N13 C59 H59 121.2 . . ?
C60 C59 H59 121.2 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
N10 C57 C58 177.5(15) . . ?
O2 C56 Os2 176.9(10) . . ?
C61 C60 C59 121.6(14) . . ?
C61 C60 H60 119.2 . . ?
C59 C60 H60 119.2 . . ?
C60 C61 C62 120.5(13) . . ?
C60 C61 H61 119.8 . . ?
C62 C61 H61 119.8 . . ?
C61 C62 C63 117.0(13) . . ?
C61 C62 C64 126.5(12) . . ?
C63 C62 C64 116.5(12) . . ?
N13 C63 C67 116.4(11) . . ?
N13 C63 C62 122.8(11) . . ?
C67 C63 C62 120.7(12) . . ?
C65 C64 C62 122.6(12) . . ?
C65 C64 H64 118.7 . . ?
C62 C64 H64 118.7 . . ?
C64 C65 C66 119.7(14) . . ?
C64 C65 H65 120.1 . . ?
C66 C65 H65 120.1 . . ?
C67 C66 N14 118.9(12) . . ?
C67 C66 C65 120.5(13) . . ?
N14 C66 C65 120.6(13) . . ?
C66 C67 C63 119.9(12) . . ?
C66 C67 C68 124.0(12) . . ?
C63 C67 C68 115.9(11) . . ?
C69 C68 C67 113.1(12) . . ?
C69 C68 Os3 132.0(10) . . ?
C67 C68 Os3 114.7(8) . . ?
C70 C69 C68 121.7(13) . . ?
C70 C69 H69 119.2 . . ?
C68 C69 H69 119.2 . . ?
N14 C70 C69 124.8(13) . . ?
N14 C70 H70 117.6 . . ?
C69 C70 H70 117.6 . . ?
N14 C71 H71A 109.5 . . ?
N14 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
N14 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
N11 C72 C73 121.9(14) . . ?
N11 C72 H72 119.1 . . ?
C73 C72 H72 119.1 . . ?
C74 C73 C72 119.0(14) . . ?
C74 C73 H73 120.5 . . ?
C72 C73 H73 120.5 . . ?
C73 C74 C75 120.9(13) . . ?
C73 C74 H74 119.6 . . ?
C75 C74 H74 119.6 . . ?
C76 C75 C77 117.2(13) . . ?
C76 C75 C74 116.7(12) . . ?
C77 C75 C74 126.0(13) . . ?
N11 C76 C80 117.6(11) . . ?
N11 C76 C75 120.5(13) . . ?
C80 C76 C75 121.9(12) . . ?
C78 C77 C75 122.5(13) . . ?
C78 C77 H77 118.8 . . ?
C75 C77 H77 118.8 . . ?
C77 C78 C79 119.4(12) . . ?
C77 C78 H78 120.3 . . ?
C79 C78 H78 120.3 . . ?
N12 C79 C80 118.0(11) . . ?
N12 C79 C78 122.3(11) . . ?
C80 C79 C78 119.7(12) . . ?
C76 C80 C79 119.3(11) . . ?
C76 C80 C81 120.8(11) . . ?
C79 C80 C81 119.8(12) . . ?
C82 C81 C80 118.5(12) . . ?
C82 C81 Os3 131.7(11) . . ?
C80 C81 Os3 109.7(9) . . ?
C81 C82 C83 120.1(14) . . ?
C81 C82 H82 119.9 . . ?
C83 C82 H82 119.9 . . ?
N12 C83 C82 122.2(15) . . ?
N12 C83 H83 118.9 . . ?
C82 C83 H83 118.9 . . ?
N12 C84 H84A 109.5 . . ?
N12 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
N12 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
O3 C85 Os3 175.7(13) . . ?
N15 C86 C87 179(2) . . ?
C86 C87 H87A 109.5 . . ?
C86 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C86 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
N16 C88 C89 121.3(13) . . ?
N16 C88 H88 119.4 . . ?
C89 C88 H88 119.4 . . ?
C90 C89 C88 119.6(14) . . ?
C90 C89 H89 120.2 . . ?
C88 C89 H89 120.2 . . ?
C89 C90 C91 119.8(13) . . ?
C89 C90 H90 120.1 . . ?
C91 C90 H90 120.1 . . ?
C90 C91 C93 125.8(13) . . ?
C90 C91 C92 117.3(13) . . ?
C93 C91 C92 116.8(14) . . ?
N16 C92 C96 115.9(11) . . ?
N16 C92 C91 122.0(12) . . ?
C96 C92 C91 122.1(13) . . ?
C94 C93 C91 121.2(13) . . ?
C94 C93 H93 119.4 . . ?
C91 C93 H93 119.4 . . ?
C93 C94 C95 122.7(14) . . ?
C93 C94 H94 118.6 . . ?
C95 C94 H94 118.6 . . ?
N17 C95 C96 118.5(13) . . ?
N17 C95 C94 123.6(13) . . ?
C96 C95 C94 117.9(14) . . ?
C95 C96 C92 119.2(13) . . ?
C95 C96 C97 124.7(13) . . ?
C92 C96 C97 116.1(12) . . ?
C98 C97 C96 112.2(12) . . ?
C98 C97 Os4 132.9(11) . . ?
C96 C97 Os4 114.8(10) . . ?
C99 C98 C97 121.9(14) . . ?
C99 C98 H98 119.1 . . ?
C97 C98 H98 119.1 . . ?
N17 C99 C98 123.9(14) . . ?
N17 C99 H99 118.0 . . ?
C98 C99 H99 118.0 . . ?
N17 C100 H01A 109.5 . . ?
N17 C100 H01B 109.5 . . ?
H01A C100 H01B 109.5 . . ?
N17 C100 H01C 109.5 . . ?
H01A C100 H01C 109.5 . . ?
H01B C100 H01C 109.5 . . ?
C102 C101 N18 121(2) . . ?
C102 C101 H101 119.4 . . ?
N18 C101 H101 119.4 . . ?
C103 C102 C101 119(2) . . ?
C103 C102 H102 120.4 . . ?
C101 C102 H102 120.4 . . ?
C102 C103 C104 125(2) . . ?
C102 C103 H103 117.6 . . ?
C104 C103 H103 117.6 . . ?
C106 C104 C103 131(2) . . ?
C106 C104 C105 114(2) . . ?
C103 C104 C105 115(2) . . ?
N18 C105 C109 118.9(19) . . ?
N18 C105 C104 122(2) . . ?
C109 C105 C104 119.4(19) . . ?
C104 C106 C107 130(3) . . ?
C104 C106 H106 115.2 . . ?
C107 C106 H106 115.2 . . ?
C106 C107 C108 114.9(19) . . ?
C106 C107 H107 122.6 . . ?
C108 C107 H107 122.6 . . ?
C109 C108 N19 117(2) . . ?
C109 C108 C107 120(2) . . ?
N19 C108 C107 123.4(18) . . ?
C108 C109 C105 122(2) . . ?
C108 C109 C110 121(2) . . ?
C105 C109 C110 117.0(15) . . ?
C111 C110 C109 118.4(16) . . ?
C111 C110 Os4 132.6(15) . . ?
C109 C110 Os4 109.0(13) . . ?
C110 C111 C112 119(2) . . ?
C110 C111 H111 120.7 . . ?
C112 C111 H111 120.7 . . ?
N19 C112 C111 120(2) . . ?
N19 C112 H112 120.1 . . ?
C111 C112 H112 120.1 . . ?
N19 C113 H02A 109.5 . . ?
N19 C113 H02B 109.5 . . ?
H02A C113 H02B 109.5 . . ?
N19 C113 H02C 109.5 . . ?
H02A C113 H02C 109.5 . . ?
H02B C113 H02C 109.5 . . ?
O4 C114 Os4 178.0(12) . . ?
N20 C115 C116 176.8(16) . . ?
C115 C116 H03A 109.5 . . ?
C115 C116 H03B 109.5 . . ?
H03A C116 H03B 109.5 . . ?
C115 C116 H03C 109.5 . . ?
H03A C116 H03C 109.5 . . ?
H03B C116 H03C 109.5 . . ?
F36 P6 F32 92.6(11) . . ?
F36 P6 F33 94.0(11) . . ?
F32 P6 F33 90.7(8) . . ?
F36 P6 F34 91.4(10) . . ?
F32 P6 F34 175.2(11) . . ?
F33 P6 F34 91.6(7) . . ?
F36 P6 F31 175.7(13) . . ?
F32 P6 F31 86.6(11) . . ?
F33 P6 F31 90.2(8) . . ?
F34 P6 F31 89.1(9) . . ?
F36 P6 F35 93.3(11) . . ?
F32 P6 F35 91.3(8) . . ?
F33 P6 F35 172.3(8) . . ?
F34 P6 F35 85.8(7) . . ?
F31 P6 F35 82.5(8) . . ?
C30 N6 C34 118.6(10) . . ?
C30 N6 Os2 129.0(8) . . ?
C34 N6 Os2 112.4(7) . . ?
C7 C6 C4 121.8(12) . . ?
C7 C6 H6 119.1 . . ?
C4 C6 H6 119.1 . . ?
C41 N7 C37 118.3(9) . . ?
C41 N7 C42 119.7(11) . . ?
C37 N7 C42 121.9(10) . . ?
C6 C7 C8 120.5(11) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
F40 P7 F42 96.8(14) . . ?
F40 P7 F37 86.9(13) . . ?
F42 P7 F37 175.8(11) . . ?
F40 P7 F41 90.9(10) . . ?
F42 P7 F41 89.1(10) . . ?
F37 P7 F41 89.0(8) . . ?
F40 P7 F39 88.7(10) . . ?
F42 P7 F39 92.0(9) . . ?
F37 P7 F39 89.9(8) . . ?
F41 P7 F39 178.8(9) . . ?
F40 P7 F38 175.7(14) . . ?
F42 P7 F38 87.5(10) . . ?
F37 P7 F38 88.7(11) . . ?
F41 P7 F38 88.7(8) . . ?
F39 P7 F38 91.7(8) . . ?
C54 N9 C50 120.4(10) . . ?
C54 N9 C55 119.8(11) . . ?
C50 N9 C55 119.4(11) . . ?
C8 C9 C10 125.8(11) . . ?
C8 C9 C5 118.8(10) . . ?
C10 C9 C5 115.5(10) . . ?
C57 N10 Os2 178.0(11) . . ?
C11 C10 C9 112.3(11) . . ?
C11 C10 Os1 131.5(9) . . ?
C9 C10 Os1 116.1(8) . . ?
C72 N11 C76 120.9(12) . . ?
C72 N11 Os3 127.4(10) . . ?
C76 N11 Os3 111.3(9) . . ?
C12 C11 C10 121.4(12) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C83 N12 C79 121.2(11) . . ?
C83 N12 C84 118.0(13) . . ?
C79 N12 C84 120.8(12) . . ?
N4 C12 C11 122.3(11) . . ?
N4 C12 H12 118.8 . . ?
C11 C12 H12 118.8 . . ?
C86 N15 Os3 174.4(15) . . ?
C16 C15 C14 119.1(11) . . ?
C16 C15 H15 120.5 . . ?
C14 C15 H15 120.5 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N3 C1 C2 C3 -2.3(19) . . . . ?
C1 C2 C3 C4 2.0(17) . . . . ?
C2 C1 N3 C5 2.9(17) . . . . ?
C2 C1 N3 Os1 177.3(9) . . . . ?
C2 C3 C4 C5 -2.6(16) . . . . ?
C2 C3 C4 C6 178.1(11) . . . . ?
C3 C4 C5 N3 3.3(15) . . . . ?
C6 C4 C5 N3 -177.3(9) . . . . ?
C3 C4 C5 C9 -178.6(10) . . . . ?
C6 C4 C5 C9 0.7(15) . . . . ?
C1 N3 C5 C4 -3.4(14) . . . . ?
Os1 N3 C5 C4 -178.8(8) . . . . ?
C1 N3 C5 C9 178.4(10) . . . . ?
Os1 N3 C5 C9 3.0(11) . . . . ?
C21 N2 C25 C24 1.3(19) . . . . ?
C26 N2 C25 C24 179.6(12) . . . . ?
C23 C24 C25 N2 -2(2) . . . . ?
C12 N4 C8 C9 1.8(16) . . . . ?
C13 N4 C8 C9 179.6(11) . . . . ?
C12 N4 C8 C7 -178.9(11) . . . . ?
C13 N4 C8 C7 -1.2(17) . . . . ?
C18 N1 C14 C15 -0.8(17) . . . . ?
Os1 N1 C14 C15 173.0(9) . . . . ?
C15 C16 C17 C18 -0.6(17) . . . . ?
C15 C16 C17 C19 179.9(10) . . . . ?
C14 N1 C18 C17 0.4(17) . . . . ?
Os1 N1 C18 C17 -174.4(9) . . . . ?
C14 N1 C18 C22 179.8(9) . . . . ?
Os1 N1 C18 C22 5.0(13) . . . . ?
C16 C17 C18 N1 0.3(17) . . . . ?
C19 C17 C18 N1 179.8(10) . . . . ?
C16 C17 C18 C22 -179.1(11) . . . . ?
C19 C17 C18 C22 0.5(17) . . . . ?
C18 C17 C19 C20 1.1(17) . . . . ?
C16 C17 C19 C20 -179.4(10) . . . . ?
C17 C19 C20 C21 -0.2(16) . . . . ?
C25 N2 C21 C22 -1.8(16) . . . . ?
C26 N2 C21 C22 179.9(10) . . . . ?
C25 N2 C21 C20 177.2(11) . . . . ?
C26 N2 C21 C20 -1.0(15) . . . . ?
C19 C20 C21 N2 178.7(10) . . . . ?
C19 C20 C21 C22 -2.3(16) . . . . ?
N2 C21 C22 C18 -177.3(9) . . . . ?
C20 C21 C22 C18 3.6(15) . . . . ?
N2 C21 C22 C23 3.7(16) . . . . ?
C20 C21 C22 C23 -175.4(10) . . . . ?
N1 C18 C22 C21 177.8(9) . . . . ?
C17 C18 C22 C21 -2.7(17) . . . . ?
N1 C18 C22 C23 -3.1(15) . . . . ?
C17 C18 C22 C23 176.3(11) . . . . ?
C25 C24 C23 C22 3.6(17) . . . . ?
C25 C24 C23 Os1 -180.0(10) . . . . ?
C21 C22 C23 C24 -4.6(16) . . . . ?
C18 C22 C23 C24 176.5(10) . . . . ?
C21 C22 C23 Os1 178.4(8) . . . . ?
C18 C22 C23 Os1 -0.6(13) . . . . ?
N6 C30 C31 C32 0.3(19) . . . . ?
C30 C31 C32 C33 -1.2(19) . . . . ?
C31 C32 C33 C34 0.5(18) . . . . ?
C31 C32 C33 C35 178.9(12) . . . . ?
N6 C34 C33 C32 1.0(16) . . . . ?
C38 C34 C33 C32 -177.2(11) . . . . ?
N6 C34 C33 C35 -177.5(10) . . . . ?
C38 C34 C33 C35 4.3(16) . . . . ?
C32 C33 C35 C36 178.3(12) . . . . ?
C34 C33 C35 C36 -3.3(17) . . . . ?
C33 C35 C36 C37 0.5(18) . . . . ?
C35 C36 C37 N7 179.4(11) . . . . ?
C35 C36 C37 C38 1.5(17) . . . . ?
N7 C37 C38 C34 -178.5(10) . . . . ?
C36 C37 C38 C34 -0.6(16) . . . . ?
N7 C37 C38 C39 3.2(17) . . . . ?
C36 C37 C38 C39 -178.8(11) . . . . ?
N6 C34 C38 C37 179.3(10) . . . . ?
C33 C34 C38 C37 -2.5(17) . . . . ?
N6 C34 C38 C39 -2.4(15) . . . . ?
C33 C34 C38 C39 175.9(10) . . . . ?
C37 C38 C39 C40 -2.8(17) . . . . ?
C34 C38 C39 C40 178.9(11) . . . . ?
C37 C38 C39 Os2 -176.5(9) . . . . ?
C34 C38 C39 Os2 5.2(14) . . . . ?
C38 C39 C40 C41 1.3(18) . . . . ?
Os2 C39 C40 C41 173.4(11) . . . . ?
C39 C40 C41 N7 0(2) . . . . ?
C47 N8 C43 C44 4(2) . . . . ?
Os2 N8 C43 C44 178.3(12) . . . . ?
N8 C43 C44 C45 -2(3) . . . . ?
C43 C44 C45 C46 0(2) . . . . ?
C44 C45 C46 C47 -1(2) . . . . ?
C44 C45 C46 C48 -178.9(14) . . . . ?
C43 N8 C47 C46 -5.1(18) . . . . ?
Os2 N8 C47 C46 179.7(9) . . . . ?
C43 N8 C47 C51 174.0(12) . . . . ?
Os2 N8 C47 C51 -1.2(12) . . . . ?
C48 C46 C47 N8 -178.3(11) . . . . ?
C45 C46 C47 N8 3.5(18) . . . . ?
C48 C46 C47 C51 2.6(17) . . . . ?
C45 C46 C47 C51 -175.6(12) . . . . ?
C47 C46 C48 C49 -1.4(18) . . . . ?
C45 C46 C48 C49 176.6(13) . . . . ?
C46 C48 C49 C50 -0.2(18) . . . . ?
C48 C49 C50 N9 -176.2(11) . . . . ?
C48 C49 C50 C51 0.6(17) . . . . ?
C54 C53 C52 C51 -4.9(16) . . . . ?
C54 C53 C52 Os2 178.0(9) . . . . ?
N9 C50 C51 C47 177.5(10) . . . . ?
C49 C50 C51 C47 0.5(16) . . . . ?
N9 C50 C51 C52 -3.5(17) . . . . ?
C49 C50 C51 C52 179.5(10) . . . . ?
N8 C47 C51 C50 178.7(10) . . . . ?
C46 C47 C51 C50 -2.1(16) . . . . ?
N8 C47 C51 C52 -0.3(15) . . . . ?
C46 C47 C51 C52 178.8(11) . . . . ?
C53 C52 C51 C50 5.2(16) . . . . ?
Os2 C52 C51 C50 -177.2(9) . . . . ?
C53 C52 C51 C47 -175.8(10) . . . . ?
Os2 C52 C51 C47 1.8(13) . . . . ?
C52 C53 C54 N9 3.3(18) . . . . ?
C63 N13 C59 C60 -1(2) . . . . ?
Os3 N13 C59 C60 176.8(11) . . . . ?
N13 C59 C60 C61 3(2) . . . . ?
C59 C60 C61 C62 -2(3) . . . . ?
C60 C61 C62 C63 -1(2) . . . . ?
C60 C61 C62 C64 -178.8(16) . . . . ?
C59 N13 C63 C67 177.0(13) . . . . ?
Os3 N13 C63 C67 -1.0(14) . . . . ?
C59 N13 C63 C62 -2(2) . . . . ?
Os3 N13 C63 C62 -179.9(10) . . . . ?
C61 C62 C63 N13 3(2) . . . . ?
C64 C62 C63 N13 -178.8(12) . . . . ?
C61 C62 C63 C67 -176.1(13) . . . . ?
C64 C62 C63 C67 2.4(19) . . . . ?
C61 C62 C64 C65 176.9(15) . . . . ?
C63 C62 C64 C65 -1(2) . . . . ?
C62 C64 C65 C66 -1(2) . . . . ?
C70 N14 C66 C67 -4.6(17) . . . . ?
C71 N14 C66 C67 175.4(12) . . . . ?
C70 N14 C66 C65 175.8(12) . . . . ?
C71 N14 C66 C65 -4.2(19) . . . . ?
C64 C65 C66 C67 3(2) . . . . ?
C64 C65 C66 N14 -176.9(12) . . . . ?
N14 C66 C67 C63 177.9(11) . . . . ?
C65 C66 C67 C63 -2.5(19) . . . . ?
N14 C66 C67 C68 2.9(19) . . . . ?
C65 C66 C67 C68 -177.5(12) . . . . ?
N13 C63 C67 C66 -179.4(12) . . . . ?
C62 C63 C67 C66 -0.5(19) . . . . ?
N13 C63 C67 C68 -4.0(17) . . . . ?
C62 C63 C67 C68 174.9(12) . . . . ?
C66 C67 C68 C69 -0.4(18) . . . . ?
C63 C67 C68 C69 -175.5(11) . . . . ?
C66 C67 C68 Os3 -177.4(10) . . . . ?
C63 C67 C68 Os3 7.4(14) . . . . ?
C67 C68 C69 C70 -0.4(18) . . . . ?
Os3 C68 C69 C70 176.0(10) . . . . ?
C66 N14 C70 C69 4.1(19) . . . . ?
C71 N14 C70 C69 -175.9(13) . . . . ?
C68 C69 C70 N14 -2(2) . . . . ?
N11 C72 C73 C74 -3(2) . . . . ?
C72 C73 C74 C75 2(2) . . . . ?
C73 C74 C75 C76 -2.8(19) . . . . ?
C73 C74 C75 C77 -179.7(14) . . . . ?
C77 C75 C76 N11 -178.6(12) . . . . ?
C74 C75 C76 N11 4.2(18) . . . . ?
C77 C75 C76 C80 1.5(18) . . . . ?
C74 C75 C76 C80 -175.7(12) . . . . ?
C76 C75 C77 C78 0.4(19) . . . . ?
C74 C75 C77 C78 177.3(12) . . . . ?
C75 C77 C78 C79 -2.0(19) . . . . ?
C77 C78 C79 N12 -178.1(11) . . . . ?
C77 C78 C79 C80 1.8(17) . . . . ?
N11 C76 C80 C79 178.4(11) . . . . ?
C75 C76 C80 C79 -1.7(18) . . . . ?
N11 C76 C80 C81 -3.1(18) . . . . ?
C75 C76 C80 C81 176.8(12) . . . . ?
N12 C79 C80 C76 179.9(10) . . . . ?
C78 C79 C80 C76 0.0(17) . . . . ?
N12 C79 C80 C81 1.4(16) . . . . ?
C78 C79 C80 C81 -178.4(11) . . . . ?
C76 C80 C81 C82 -179.3(12) . . . . ?
C79 C80 C81 C82 -0.8(17) . . . . ?
C76 C80 C81 Os3 3.5(14) . . . . ?
C79 C80 C81 Os3 -178.1(9) . . . . ?
C80 C81 C82 C83 -1.9(19) . . . . ?
Os3 C81 C82 C83 174.6(10) . . . . ?
C81 C82 C83 N12 4(2) . . . . ?
C92 N16 C88 C89 -9(2) . . . . ?
Os4 N16 C88 C89 174.5(10) . . . . ?
N16 C88 C89 C90 8(2) . . . . ?
C88 C89 C90 C91 -2.9(19) . . . . ?
C89 C90 C91 C93 175.7(13) . . . . ?
C89 C90 C91 C92 -1.5(18) . . . . ?
C88 N16 C92 C96 -175.6(11) . . . . ?
Os4 N16 C92 C96 1.4(13) . . . . ?
C88 N16 C92 C91 4.2(17) . . . . ?
Os4 N16 C92 C91 -178.8(9) . . . . ?
C90 C91 C92 N16 1.1(17) . . . . ?
C93 C91 C92 N16 -176.4(11) . . . . ?
C90 C91 C92 C96 -179.1(11) . . . . ?
C93 C91 C92 C96 3.4(17) . . . . ?
C90 C91 C93 C94 179.4(13) . . . . ?
C92 C91 C93 C94 -3.3(19) . . . . ?
C91 C93 C94 C95 0(2) . . . . ?
C99 N17 C95 C96 4.0(18) . . . . ?
C100 N17 C95 C96 -175.6(12) . . . . ?
C99 N17 C95 C94 -177.1(12) . . . . ?
C100 N17 C95 C94 3.3(19) . . . . ?
C93 C94 C95 N17 -176.4(13) . . . . ?
C93 C94 C95 C96 3(2) . . . . ?
N17 C95 C96 C92 176.5(11) . . . . ?
C94 C95 C96 C92 -2.4(17) . . . . ?
N17 C95 C96 C97 -3.1(18) . . . . ?
C94 C95 C96 C97 178.0(11) . . . . ?
N16 C92 C96 C95 179.3(10) . . . . ?
C91 C92 C96 C95 -0.5(17) . . . . ?
N16 C92 C96 C97 -1.0(15) . . . . ?
C91 C92 C96 C97 179.2(10) . . . . ?
C95 C96 C97 C98 1.1(17) . . . . ?
C92 C96 C97 C98 -178.5(11) . . . . ?
C95 C96 C97 Os4 179.7(10) . . . . ?
C92 C96 C97 Os4 0.1(14) . . . . ?
C96 C97 C98 C99 -0.2(18) . . . . ?
Os4 C97 C98 C99 -178.5(10) . . . . ?
C95 N17 C99 C98 -3.4(19) . . . . ?
C100 N17 C99 C98 176.3(13) . . . . ?
C97 C98 C99 N17 1(2) . . . . ?
C105 N18 C101 C102 0(2) . . . . ?
Os4 N18 C101 C102 -180.0(12) . . . . ?
N18 C101 C102 C103 1(3) . . . . ?
C101 C102 C103 C104 -3(3) . . . . ?
C102 C103 C104 C106 180(2) . . . . ?
C102 C103 C104 C105 5(3) . . . . ?
C101 N18 C105 C109 -178.2(14) . . . . ?
Os4 N18 C105 C109 2(2) . . . . ?
C101 N18 C105 C104 1(2) . . . . ?
Os4 N18 C105 C104 -178.7(13) . . . . ?
C106 C104 C105 N18 -179.7(18) . . . . ?
C103 C104 C105 N18 -4(3) . . . . ?
C106 C104 C105 C109 0(3) . . . . ?
C103 C104 C105 C109 176.1(18) . . . . ?
C103 C104 C106 C107 -171(2) . . . . ?
C105 C104 C106 C107 4(3) . . . . ?
C104 C106 C107 C108 -6(3) . . . . ?
C112 N19 C108 C109 0(3) . . . . ?
C113 N19 C108 C109 -178.5(15) . . . . ?
C112 N19 C108 C107 -177.7(17) . . . . ?
C113 N19 C108 C107 4(3) . . . . ?
C106 C107 C108 C109 4(3) . . . . ?
C106 C107 C108 N19 -178.1(19) . . . . ?
N19 C108 C109 C105 -178.9(16) . . . . ?
C107 C108 C109 C105 -1(3) . . . . ?
N19 C108 C109 C110 3(2) . . . . ?
C107 C108 C109 C110 -179.8(15) . . . . ?
N18 C105 C109 C108 178.5(15) . . . . ?
C104 C105 C109 C108 -1(3) . . . . ?
N18 C105 C109 C110 -3(2) . . . . ?
C104 C105 C109 C110 177.5(14) . . . . ?
C108 C109 C110 C111 -1(2) . . . . ?
C105 C109 C110 C111 -179.4(15) . . . . ?
C108 C109 C110 Os4 -178.8(13) . . . . ?
C105 C109 C110 Os4 2.5(17) . . . . ?
C109 C110 C111 C112 -3(2) . . . . ?
Os4 C110 C111 C112 174.0(12) . . . . ?
C108 N19 C112 C111 -4(3) . . . . ?
C113 N19 C112 C111 174.2(15) . . . . ?
C110 C111 C112 N19 6(2) . . . . ?
C31 C30 N6 C34 1.2(17) . . . . ?
C31 C30 N6 Os2 178.6(9) . . . . ?
C38 C34 N6 C30 176.5(10) . . . . ?
C33 C34 N6 C30 -1.8(17) . . . . ?
C38 C34 N6 Os2 -1.4(12) . . . . ?
C33 C34 N6 Os2 -179.6(8) . . . . ?
C5 C4 C6 C7 1.0(17) . . . . ?
C3 C4 C6 C7 -179.7(11) . . . . ?
C40 C41 N7 C37 0.6(19) . . . . ?
C40 C41 N7 C42 178.1(13) . . . . ?
C38 C37 N7 C41 -2.0(16) . . . . ?
C36 C37 N7 C41 -179.9(11) . . . . ?
C38 C37 N7 C42 -179.4(11) . . . . ?
C36 C37 N7 C42 2.7(17) . . . . ?
C4 C6 C7 C8 -1.8(19) . . . . ?
N4 C8 C7 C6 -178.4(11) . . . . ?
C9 C8 C7 C6 0.8(18) . . . . ?
C53 C54 N9 C50 -1.2(18) . . . . ?
C53 C54 N9 C55 -173.4(12) . . . . ?
C51 C50 N9 C54 1.2(16) . . . . ?
C49 C50 N9 C54 178.2(11) . . . . ?
C51 C50 N9 C55 173.4(11) . . . . ?
C49 C50 N9 C55 -9.6(17) . . . . ?
N4 C8 C9 C10 -0.8(17) . . . . ?
C7 C8 C9 C10 180.0(11) . . . . ?
N4 C8 C9 C5 -179.8(10) . . . . ?
C7 C8 C9 C5 0.9(16) . . . . ?
C4 C5 C9 C8 -1.7(15) . . . . ?
N3 C5 C9 C8 176.5(10) . . . . ?
C4 C5 C9 C10 179.2(9) . . . . ?
N3 C5 C9 C10 -2.6(13) . . . . ?
C8 C9 C10 C11 -0.2(16) . . . . ?
C5 C9 C10 C11 178.8(9) . . . . ?
C8 C9 C10 Os1 -178.2(9) . . . . ?
C5 C9 C10 Os1 0.9(12) . . . . ?
C73 C72 N11 C76 4(2) . . . . ?
C73 C72 N11 Os3 177.0(11) . . . . ?
C80 C76 N11 C72 174.9(12) . . . . ?
C75 C76 N11 C72 -5(2) . . . . ?
C80 C76 N11 Os3 1.1(15) . . . . ?
C75 C76 N11 Os3 -178.8(9) . . . . ?
C9 C10 C11 C12 0.2(16) . . . . ?
Os1 C10 C11 C12 177.8(9) . . . . ?
C82 C83 N12 C79 -4(2) . . . . ?
C82 C83 N12 C84 178.2(12) . . . . ?
C80 C79 N12 C83 0.9(17) . . . . ?
C78 C79 N12 C83 -179.3(12) . . . . ?
C80 C79 N12 C84 178.8(11) . . . . ?
C78 C79 N12 C84 -1.3(17) . . . . ?
C8 N4 C12 C11 -1.9(17) . . . . ?
C13 N4 C12 C11 -179.7(11) . . . . ?
C10 C11 C12 N4 0.8(18) . . . . ?
C17 C16 C15 C14 0.2(17) . . . . ?
N1 C14 C15 C16 0.5(18) . . . . ?

_refine_diff_density_max         2.307
_refine_diff_density_min         -1.936
_refine_diff_density_rms         0.156



# start Validation Reply Form
_vrf_PLAT213_Oslamb              
;
PROBLEM: Atom C110            has ADP max/min Ratio .....        3.1 prolat
RESPONSE: The cation containing Os4 cation partially contains atoms with
elongated displacement ellipsoids.  The reason is not possible to be
unambiguosly distinguished between disorder or residual effects from twinning.
;
_vrf_PLAT220_Oslamb              
;
PROBLEM: NonSolvent Resd 3  C   Ueq(max) / Ueq(min) Range        3.3 Ratio
RESPONSE: The cation containing Os4 cation partially contains atoms with
elongated displacement ellipsoids.  The reason is not possible to be
unambiguosly distinguished between disorder or residual effects from twinning.
;
_vrf_PLAT222_Oslamb              
;
PROBLEM: NonSolvent Resd 4  H   Uiso(max)/Uiso(min) Range        4.7 Ratio
RESPONSE: The cation containing Os4 cation partially contains atoms with
elongated displacement ellipsoids.  The reason is not possible to be
unambiguosly distinguished between disorder or residual effects from twinning.
;
_vrf_PLAT234_Oslamb              
;
PROBLEM: Large Hirshfeld Difference C39      --C40      .       0.17 Ang.
RESPONSE: The problem comes likely from systematic non-merohedral twinning and
complicated absorption correction as a result of that.
;
_vrf_PLAT241_Oslamb              
;
PROBLEM: High   MainMol Ueq as Compared to Neighbors of        C59 Check
RESPONSE: The problem comes likely from systematic non-merohedral twinning and
complicated absorption correction as a result of that.
;
_vrf_PLAT250_Oslamb              
;
PROBLEM: Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.3 Note
RESPONSE: The problem comes likely from systematic non-merohedral twinning and
complicated absorption correction as a result of that.
;
_vrf_PLAT260_Oslamb              
;
PROBLEM: Large Average Ueq of Residue Including        P1      0.129 Check
RESPONSE: Most of the PF6- anions show signs of disorder. However, an attempt
to introduce it in the refinement led to only very small changes in the
R factors. Split atoms could not be refined without additional strong
restraints. Therefore, we decided to run the final refinement without splitting
the PF6- anions.
;
_vrf_PLAT369_Oslamb              
;
PROBLEM: Long   C(sp2)-C(sp2) Bond  C109     - C110     .       1.54 Ang.
RESPONSE: The cation containing Os4 cation partially contains atoms with
elongated displacement ellipsoids.  The reason is not possible to be
unambiguosly distinguished between disorder or residual effects from twinning.
;
_vrf_PLAT431_Oslamb              
;
PROBLEM: Short Inter HL..A Contact  F10      ..N7       .       2.80 Ang.
RESPONSE: This is due to the disorder of the PF6- anions.
;
_vrf_PLAT910_Oslamb              
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).          7 Note
RESPONSE: These reflections were either affected or hidden by the beam stop and
were therefore excluded on the data reduction step.
;
_vrf_PLAT911_Oslamb              
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.600          2 Report
RESPONSE: These reflections were overlapped due to twinning and could not be
well resolved.
;
# end Validation Reply Form
