# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_nava2409
_database_code_depnum_ccdc_archive 'CCDC 2345821'
loop_
_audit_author_name
_audit_author_address
'Martin-Louis Riu'
;University of California, Los Angeles
United States of America
;
_audit_update_record             
;
2024-06-07 deposited with the CCDC.	2025-02-21 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V136 by Daniel Kratzert, Freiburg 2024, 
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            
'C4.51 H5.43 Cl0.10 F1.23 N0.77 O0.41 Os0.15 P0.21'
_chemical_formula_moiety         ?
_chemical_formula_weight         139.66
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'
_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, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.1152(10)
_cell_length_b                   8.7658(5)
_cell_length_c                   22.3304(14)
_cell_angle_alpha                90
_cell_angle_beta                 102.552(2)
_cell_angle_gamma                90
_cell_volume                     3270.1(3)
_cell_formula_units_Z            26
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9878
_cell_measurement_theta_min      2.873
_cell_measurement_theta_max      30.0845
_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_recrystallization_method 'Ethanol - Diethyl Ether Layering'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_F_000             1788
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_exptl_absorpt_coefficient_mu    4.104
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6294
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction: 
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Double Bounce Multilayer Mirrors'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          X-ray
_diffrn_source                   'Micro Focus Rotating Anode'
_diffrn_source_type              'Bruker TXS'
_diffrn_source_voltage           50.0
_diffrn_source_current           50.0
_diffrn_detector                 'Bruker Photon III Area Detector'
_diffrn_detector_type            'CPAD Area Detector'
_diffrn_detector_area_resol_mean 7.407
_diffrn_measurement_device       'Fixed Chi Three-Circle Diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support ?
_diffrn_reflns_number            63243
_diffrn_reflns_av_unetI/netI     0.0470
_diffrn_reflns_av_R_equivalents  0.0652
_diffrn_reflns_theta_min         2.731
_diffrn_reflns_theta_max         30.590
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       31
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.919
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.919
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             9264
_reflns_number_gt                7227
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_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       'Bruker BIS V6.2.12/2019-08-12'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0001P)²+10.4464P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_reflns         9264
_refine_ls_number_parameters     531
_refine_ls_number_restraints     32
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0334
_refine_ls_wR_factor_ref         0.0628
_refine_ls_wR_factor_gt          0.0562
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_restrained_S_all      1.195
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.315
_refine_diff_density_min         -1.454
_refine_diff_density_rms         0.148
_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'
F F 0.0171 0.0103 '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'
Os Os -1.2165 7.6030 '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'

_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_
_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
P1 P 0.57175(6) 0.19277(11) 0.63130(4) 0.02067(19) Uani 1 1 d D . . . .
F1 F 0.61537(14) 0.0310(2) 0.64565(10) 0.0269(5) Uani 1 1 d D . . . .
F2 F 0.65008(14) 0.2595(3) 0.61187(12) 0.0371(6) Uani 1 1 d D . . . .
F3 F 0.53708(13) 0.1414(3) 0.56178(9) 0.0298(5) Uani 1 1 d D . . . .
F4 F 0.52887(14) 0.3561(2) 0.61752(11) 0.0342(6) Uani 1 1 d D . . . .
F5 F 0.49350(13) 0.1271(3) 0.65031(10) 0.0281(5) Uani 1 1 d D . . . .
F6 F 0.60672(14) 0.2442(3) 0.70110(10) 0.0307(5) Uani 1 1 d D . . . .
Cl1 Cl -0.07132(12) -0.2344(2) 0.55095(7) 0.0308(4) Uani 0.665(3) 1 d . . P A 1
C29 C -0.1889(5) -0.2993(9) 0.6689(4) 0.048(2) Uani 0.665(3) 1 d D . P A 1
H29A H -0.169136 -0.219774 0.646626 0.073 Uiso 0.665(3) 1 calc R U P A 1
H29B H -0.152549 -0.313782 0.707808 0.073 Uiso 0.665(3) 1 calc R U P A 1
H29C H -0.240595 -0.271333 0.675477 0.073 Uiso 0.665(3) 1 calc R U P A 1
C30 C -0.1956(4) -0.4433(8) 0.6332(3) 0.0413(17) Uani 0.665(3) 1 d D . P A 1
H30A H -0.222597 -0.519108 0.653006 0.050 Uiso 0.665(3) 1 calc R U P A 1
H30B H -0.228116 -0.425153 0.592504 0.050 Uiso 0.665(3) 1 calc R U P A 1
O3 O -0.1201(3) -0.5017(6) 0.6277(3) 0.0440(13) Uani 0.665(3) 1 d D . P A 1
H3A H -0.097(4) -0.437(10) 0.606(5) 0.066 Uiso 0.665(3) 1 calc R U P A 1
P2 P -0.1182(2) -0.3050(4) 0.61639(15) 0.0313(10) Uani 0.335(3) 1 d D . P A 2
F7 F -0.1091(7) -0.1893(14) 0.5636(5) 0.078(4) Uani 0.335(3) 1 d D . P A 2
F8 F -0.1800(6) -0.1925(11) 0.6355(5) 0.066(3) Uani 0.335(3) 1 d D . P A 2
F9 F -0.1909(4) -0.3833(9) 0.5686(3) 0.0382(19) Uani 0.335(3) 1 d D . P A 2
F10 F -0.1265(5) -0.4233(11) 0.6677(4) 0.053(3) Uani 0.335(3) 1 d D . P A 2
F11 F -0.0443(5) -0.2271(9) 0.6616(4) 0.055(3) Uani 0.335(3) 1 d D . P A 2
F12 F -0.0554(5) -0.4148(11) 0.5949(4) 0.055(3) Uani 0.335(3) 1 d D . P A 2
Os1 Os 0.25679(2) 0.37790(2) 0.61945(2) 0.01606(4) Uani 1 1 d . . . . .
O1 O 0.15924(16) 0.4449(3) 0.54772(12) 0.0264(6) Uani 1 1 d . . . . .
H1A H 0.152442 0.380858 0.512745 0.09(2) Uiso 1 1 d R . . . .
H1B H 0.144488 0.548608 0.537961 0.08(2) Uiso 1 1 d R . . . .
N1 N 0.34025(17) 0.2989(3) 0.69044(13) 0.0163(6) Uani 1 1 d . . . . .
N2 N 0.20514(18) 0.1773(3) 0.63735(14) 0.0197(6) Uani 1 1 d . . . . .
N3 N 0.31186(18) 0.3044(3) 0.55169(13) 0.0175(6) Uani 1 1 d . . . . .
N4 N 0.31677(18) 0.5716(3) 0.60203(13) 0.0178(6) Uani 1 1 d . . . . .
N5 N 0.19507(17) 0.4712(3) 0.68300(14) 0.0178(6) Uani 1 1 d . . . . .
C1 C 0.4106(2) 0.3662(4) 0.71495(16) 0.0220(7) Uani 1 1 d . . . . .
H1 H 0.424704 0.452838 0.695761 0.026 Uiso 1 1 calc R U . . .
C2 C 0.4627(2) 0.3144(4) 0.76666(17) 0.0231(8) Uani 1 1 d . . . . .
H2 H 0.510289 0.365949 0.782188 0.028 Uiso 1 1 calc R U . . .
C3 C 0.4431(2) 0.1846(4) 0.79513(17) 0.0251(8) Uani 1 1 d . . . . .
H3 H 0.477362 0.147181 0.830181 0.030 Uiso 1 1 calc R U . . .
C4 C 0.3721(2) 0.1112(5) 0.77090(17) 0.0276(8) Uani 1 1 d . . . . .
H4 H 0.358057 0.023306 0.789401 0.033 Uiso 1 1 calc R U . . .
C5 C 0.3214(2) 0.1695(4) 0.71856(17) 0.0210(7) Uani 1 1 d . . . . .
C6 C 0.2446(2) 0.1007(4) 0.68851(17) 0.0219(8) Uani 1 1 d . . . . .
C7 C 0.2133(3) -0.0307(5) 0.70866(19) 0.0329(10) Uani 1 1 d . . . . .
H7 H 0.241056 -0.081548 0.743368 0.040 Uiso 1 1 calc R U . . .
C8 C 0.1408(3) -0.0853(5) 0.6769(2) 0.0329(10) Uani 1 1 d . . . . .
H8 H 0.118493 -0.171907 0.690443 0.039 Uiso 1 1 calc R U . . .
C9 C 0.1016(2) -0.0107(4) 0.62489(18) 0.0265(8) Uani 1 1 d . . . . .
H9 H 0.052929 -0.047105 0.602476 0.032 Uiso 1 1 calc R U . . .
C10 C 0.1354(2) 0.1186(4) 0.60648(17) 0.0240(7) Uani 1 1 d . . . . .
H10 H 0.108797 0.167718 0.570979 0.029 Uiso 1 1 calc R U . . .
C11 C 0.3035(2) 0.1642(4) 0.52618(17) 0.0223(8) Uani 1 1 d . . . . .
H11 H 0.274818 0.091098 0.542627 0.027 Uiso 1 1 calc R U . . .
C12 C 0.3357(2) 0.1242(5) 0.47678(16) 0.0233(7) Uani 1 1 d . . . . .
H12 H 0.329085 0.026041 0.460655 0.028 Uiso 1 1 calc R U . . .
C13 C 0.3778(2) 0.2327(4) 0.45164(17) 0.0242(8) Uani 1 1 d . . . . .
H13 H 0.399905 0.208528 0.418281 0.029 Uiso 1 1 calc R U . . .
C14 C 0.3867(2) 0.3776(5) 0.47677(16) 0.0216(7) Uani 1 1 d . . . . .
H14 H 0.414464 0.452245 0.460263 0.026 Uiso 1 1 calc R U . . .
C15 C 0.3536(2) 0.4107(4) 0.52723(16) 0.0176(7) Uani 1 1 d . . . . .
C16 C 0.3588(2) 0.5593(4) 0.55676(15) 0.0173(7) Uani 1 1 d . . . . .
C17 C 0.4036(2) 0.6801(4) 0.54176(17) 0.0210(7) Uani 1 1 d . . . . .
H17 H 0.431923 0.668703 0.510935 0.025 Uiso 1 1 calc R U . . .
C18 C 0.4059(2) 0.8173(4) 0.57269(17) 0.0215(8) Uani 1 1 d . . . . .
H18 H 0.435917 0.898767 0.563326 0.026 Uiso 1 1 calc R U . . .
C19 C 0.3623(2) 0.8302(4) 0.61806(17) 0.0212(8) Uani 1 1 d . . . . .
H19 H 0.362468 0.921176 0.639503 0.025 Uiso 1 1 calc R U . . .
C20 C 0.3187(2) 0.7076(4) 0.63112(17) 0.0208(7) Uani 1 1 d . . . . .
H20 H 0.289253 0.718492 0.661286 0.025 Uiso 1 1 calc R U . . .
C21 C 0.1146(2) 0.4657(4) 0.67171(18) 0.0223(8) Uani 1 1 d . . . . .
H21 H 0.087257 0.425712 0.634452 0.027 Uiso 1 1 calc R U . . .
C22 C 0.0707(2) 0.5167(4) 0.71298(18) 0.0243(8) Uani 1 1 d . . . . .
H22 H 0.015127 0.509252 0.703372 0.029 Uiso 1 1 calc R U . . .
C23 C 0.1093(2) 0.5789(4) 0.76860(18) 0.0244(8) Uani 1 1 d . . . . .
C24 C 0.0633(3) 0.6368(6) 0.8144(2) 0.0370(10) Uani 1 1 d . . . . .
H24A H 0.085268 0.732570 0.830830 0.055 Uiso 1 1 calc R U . . .
H24B H 0.067082 0.564155 0.847107 0.055 Uiso 1 1 calc R U . . .
H24C H 0.008081 0.650391 0.794451 0.055 Uiso 1 1 calc R U . . .
C25 C 0.1920(2) 0.5848(4) 0.78021(16) 0.0213(8) Uani 1 1 d . . . . .
H25 H 0.220353 0.625515 0.817015 0.026 Uiso 1 1 calc R U . . .
C26 C 0.2328(2) 0.5308(4) 0.73765(16) 0.0194(7) Uani 1 1 d . . . . .
H26 H 0.288423 0.535492 0.746822 0.023 Uiso 1 1 calc R U . . .
C27 C -0.1866(5) -0.8006(9) 0.5295(4) 0.0433(19) Uani 0.718(8) 1 d D . P B 1
H27A H -0.222872 -0.824632 0.491499 0.065 Uiso 0.718(8) 1 calc R U P B 1
H27B H -0.199651 -0.702111 0.543467 0.065 Uiso 0.718(8) 1 calc R U P B 1
H27C H -0.191157 -0.876181 0.559680 0.065 Uiso 0.718(8) 1 calc R U P B 1
C28 C -0.1026(6) -0.7986(10) 0.5201(4) 0.040(2) Uani 0.718(8) 1 d D . P B 1
H28A H -0.066988 -0.755935 0.555931 0.048 Uiso 0.718(8) 1 calc R U P B 1
H28B H -0.085257 -0.901964 0.514412 0.048 Uiso 0.718(8) 1 calc R U P B 1
O2 O -0.0991(3) -0.7082(5) 0.46681(19) 0.0362(13) Uani 0.718(8) 1 d D . P B 1
H2A H -0.0427(16) -0.685(9) 0.476(4) 0.12(3) Uiso 1 1 d D . . C 1
C27A C -0.0611(14) -0.799(3) 0.5164(13) 0.059(8) Uani 0.282(8) 1 d D . P B 2
H27D H -0.035254 -0.896332 0.517998 0.089 Uiso 0.282(8) 1 calc R U P B 2
H27E H -0.039386 -0.743023 0.553327 0.089 Uiso 0.282(8) 1 calc R U P B 2
H27F H -0.052097 -0.742536 0.481653 0.089 Uiso 0.282(8) 1 calc R U P B 2
C28A C -0.1500(13) -0.821(2) 0.5107(12) 0.045(6) Uani 0.282(8) 1 d D . P B 2
H28C H -0.173129 -0.864717 0.470848 0.054 Uiso 0.282(8) 1 calc R U P B 2
H28D H -0.158689 -0.892512 0.541844 0.054 Uiso 0.282(8) 1 calc R U P B 2
O2A O -0.1895(7) -0.6780(12) 0.5177(5) 0.036(3) Uani 0.282(8) 1 d D . P B 2
H2B H -0.200(10) -0.672(9) 0.559(3) 0.054 Uiso 0.282(8) 1 calc DR U P B 2


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
P1 F5 1.598(2) . ?
P1 F3 1.601(2) . ?
P1 F1 1.602(2) . ?
P1 F2 1.606(2) . ?
P1 F6 1.608(2) . ?
P1 F4 1.608(2) . ?
C29 C30 1.484(9) . ?
C30 O3 1.420(8) . ?
P2 F8 1.572(8) . ?
P2 F10 1.575(8) . ?
P2 F7 1.587(10) . ?
P2 F11 1.590(8) . ?
P2 F12 1.592(8) . ?
P2 F9 1.607(7) . ?
Os1 N1 2.012(3) . ?
Os1 N2 2.046(3) . ?
Os1 N3 2.053(3) . ?
Os1 N4 2.064(3) . ?
Os1 N5 2.110(3) . ?
Os1 O1 2.130(3) . ?
N1 C1 1.345(5) . ?
N1 C5 1.368(5) . ?
N2 C10 1.344(5) . ?
N2 C6 1.370(5) . ?
N3 C11 1.350(5) . ?
N3 C15 1.358(4) . ?
N4 C20 1.354(4) . ?
N4 C16 1.367(4) . ?
N5 C21 1.346(5) . ?
N5 C26 1.355(5) . ?
C1 C2 1.374(5) . ?
C2 C3 1.380(6) . ?
C3 C4 1.378(6) . ?
C4 C5 1.392(5) . ?
C5 C6 1.469(5) . ?
C6 C7 1.386(5) . ?
C7 C8 1.374(6) . ?
C8 C9 1.373(6) . ?
C9 C10 1.376(5) . ?
C11 C12 1.380(5) . ?
C12 C13 1.385(5) . ?
C13 C14 1.384(5) . ?
C14 C15 1.398(5) . ?
C15 C16 1.454(5) . ?
C16 C17 1.390(5) . ?
C17 C18 1.383(5) . ?
C18 C19 1.388(5) . ?
C19 C20 1.375(5) . ?
C21 C22 1.384(5) . ?
C22 C23 1.386(5) . ?
C23 C25 1.383(5) . ?
C23 C24 1.509(5) . ?
C25 C26 1.379(5) . ?
C27 C28 1.498(10) . ?
C28 O2 1.441(8) . ?
C27A C28A 1.512(16) . ?
C28A O2A 1.451(15) . ?

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
F5 P1 F3 90.05(12) . . ?
F5 P1 F1 90.52(13) . . ?
F3 P1 F1 90.21(13) . . ?
F5 P1 F2 179.63(16) . . ?
F3 P1 F2 89.75(13) . . ?
F1 P1 F2 89.78(13) . . ?
F5 P1 F6 90.03(12) . . ?
F3 P1 F6 179.90(16) . . ?
F1 P1 F6 89.72(12) . . ?
F2 P1 F6 90.18(14) . . ?
F5 P1 F4 89.86(13) . . ?
F3 P1 F4 90.40(13) . . ?
F1 P1 F4 179.28(15) . . ?
F2 P1 F4 89.83(13) . . ?
F6 P1 F4 89.67(13) . . ?
O3 C30 C29 112.8(6) . . ?
F8 P2 F10 92.4(6) . . ?
F8 P2 F7 88.9(7) . . ?
F10 P2 F7 178.5(7) . . ?
F8 P2 F11 92.7(5) . . ?
F10 P2 F11 90.3(5) . . ?
F7 P2 F11 90.3(6) . . ?
F8 P2 F12 177.8(6) . . ?
F10 P2 F12 89.7(5) . . ?
F7 P2 F12 88.9(6) . . ?
F11 P2 F12 87.5(5) . . ?
F8 P2 F9 88.7(5) . . ?
F10 P2 F9 91.3(5) . . ?
F7 P2 F9 88.1(5) . . ?
F11 P2 F9 177.8(5) . . ?
F12 P2 F9 91.0(4) . . ?
N1 Os1 N2 79.23(12) . . ?
N1 Os1 N3 96.41(11) . . ?
N2 Os1 N3 99.30(12) . . ?
N1 Os1 N4 97.73(12) . . ?
N2 Os1 N4 175.75(12) . . ?
N3 Os1 N4 78.01(12) . . ?
N1 Os1 N5 88.68(11) . . ?
N2 Os1 N5 84.32(11) . . ?
N3 Os1 N5 174.21(11) . . ?
N4 Os1 N5 98.63(11) . . ?
N1 Os1 O1 173.57(11) . . ?
N2 Os1 O1 94.75(11) . . ?
N3 Os1 O1 86.71(11) . . ?
N4 Os1 O1 88.40(11) . . ?
N5 Os1 O1 88.50(11) . . ?
C1 N1 C5 117.1(3) . . ?
C1 N1 Os1 126.1(2) . . ?
C5 N1 Os1 116.7(2) . . ?
C10 N2 C6 117.5(3) . . ?
C10 N2 Os1 127.0(3) . . ?
C6 N2 Os1 115.4(2) . . ?
C11 N3 C15 118.1(3) . . ?
C11 N3 Os1 125.0(2) . . ?
C15 N3 Os1 116.6(2) . . ?
C20 N4 C16 117.5(3) . . ?
C20 N4 Os1 126.5(2) . . ?
C16 N4 Os1 116.0(2) . . ?
C21 N5 C26 116.8(3) . . ?
C21 N5 Os1 120.1(2) . . ?
C26 N5 Os1 123.0(2) . . ?
N1 C1 C2 123.9(4) . . ?
C1 C2 C3 118.7(4) . . ?
C4 C3 C2 119.1(3) . . ?
C3 C4 C5 119.6(4) . . ?
N1 C5 C4 121.6(3) . . ?
N1 C5 C6 114.0(3) . . ?
C4 C5 C6 124.4(3) . . ?
N2 C6 C7 121.5(4) . . ?
N2 C6 C5 114.2(3) . . ?
C7 C6 C5 124.3(3) . . ?
C8 C7 C6 119.4(4) . . ?
C9 C8 C7 119.4(4) . . ?
C8 C9 C10 119.0(4) . . ?
N2 C10 C9 123.2(4) . . ?
N3 C11 C12 123.0(4) . . ?
C11 C12 C13 118.9(4) . . ?
C14 C13 C12 119.2(3) . . ?
C13 C14 C15 119.3(3) . . ?
N3 C15 C14 121.5(3) . . ?
N3 C15 C16 114.7(3) . . ?
C14 C15 C16 123.8(3) . . ?
N4 C16 C17 121.6(3) . . ?
N4 C16 C15 114.6(3) . . ?
C17 C16 C15 123.8(3) . . ?
C18 C17 C16 120.0(3) . . ?
C17 C18 C19 118.3(3) . . ?
C20 C19 C18 119.6(3) . . ?
N4 C20 C19 123.0(3) . . ?
N5 C21 C22 123.1(4) . . ?
C21 C22 C23 120.1(4) . . ?
C25 C23 C22 116.9(3) . . ?
C25 C23 C24 121.6(4) . . ?
C22 C23 C24 121.4(4) . . ?
C26 C25 C23 120.6(3) . . ?
N5 C26 C25 122.6(3) . . ?
O2 C28 C27 109.7(7) . . ?
O2A C28A C27A 111.2(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_ucla_nava4_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2366172'
loop_
_audit_author_name
_audit_author_address
'Tyler A. Kerr'
;University of California, Los Angeles
United States of America
;
_audit_update_record             
;
2024-06-27 deposited with the CCDC.	2025-02-21 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V137 by Daniel Kratzert, Freiburg 2024, 
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C62.40 H77.80 F30 N12 O4 Os2 P5'
_chemical_formula_moiety         
'C58 H65 N12 O2 Os2, 5(F6 P), 0.8(C4 H10 O), 1.2(C H4 O)'
_chemical_formula_weight         2165.21
_chemical_melting_point          ?
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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'
'-x, -y, -z'

_cell_length_a                   12.0421(5)
_cell_length_b                   13.5806(6)
_cell_length_c                   14.2226(6)
_cell_angle_alpha                62.1400(10)
_cell_angle_beta                 83.454(2)
_cell_angle_gamma                69.7840(10)
_cell_volume                     1926.51(14)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9935
_cell_measurement_theta_min      2.4955
_cell_measurement_theta_max      24.971
_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_F_000             1065
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    3.526
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6768
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Double Bounce Multilayer Mirrors'
_diffrn_measurement_ambient_temperature_device_make 'Oxford Cryostream'
_diffrn_radiation_probe          X-ray
_diffrn_source                   'Micro Focus Rotating Anode'
_diffrn_source_type              'Bruker TXS'
_diffrn_source_voltage           50
_diffrn_source_current           50
_diffrn_detector                 'Bruker Photon III Area Detector'
_diffrn_detector_type            'CPAD Area Detector'
_diffrn_detector_area_resol_mean 7.407
_diffrn_measurement_device       'Fixed Chi Three-Circle Diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_reflns_number            53437
_diffrn_reflns_av_unetI/netI     0.0446
_diffrn_reflns_av_R_equivalents  0.0777
_diffrn_reflns_theta_min         2.495
_diffrn_reflns_theta_max         25.484
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7142
_reflns_number_gt                6058
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_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       'Bruker BIS V6.2.12/2019-08-12'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'ShelXle (Hübschle 2011)'
_computing_publication_material  ?
_refine_special_details          
;All main molecule non-hydrogen atoms were refined as anisotropic ellipsoids
without restraints or constraints. The asymmetric unit contained 2.5
hexafluorophosphate units. One was refined in one position, one was refined with
disorder over two positions, and the final was the half occupancy
hexafluorophosphate disordered over three positions across a crystallographic
inversion center. This highly disordered hexafluorophosphate was refined partly
with an ether molecule and partly with a heavily disordered methanol molecule
consistent with the occupancies of the disordered parts of the half
hexafluorophosphate. All of the hexafluorophosphate ions were refined with DFIX
and SAME commands, and the disordered solvents were heavily constrained and
restrained in their anisotropic displacement parameters and bond lengths.  The
refinement of the occupancy of the disordered hexafluorophosphate unit is not in
question, but the disordered solvent refinement is presented as a reasonable
solution to the significant disorder present.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0356P)²+4.8583P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_reflns         7142
_refine_ls_number_parameters     788
_refine_ls_number_restraints     841
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0358
_refine_ls_wR_factor_ref         0.0828
_refine_ls_wR_factor_gt          0.0762
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.865
_refine_diff_density_min         -0.642
_refine_diff_density_rms         0.120
_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'
F F 0.0171 0.0103 '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'
Os Os -1.2165 7.6030 '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'

_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_
_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 0.35269(2) 0.65574(2) 0.58132(2) 0.02794(8) Uani 1 1 d . . . . .
P1 P 0.83526(15) 0.63964(14) 0.57242(14) 0.0471(4) Uani 1 1 d D . . . .
F1 F 0.7185(3) 0.7407(4) 0.5047(4) 0.0794(13) Uani 1 1 d D . . . .
F2 F 0.7859(5) 0.6572(5) 0.6736(4) 0.0862(15) Uani 1 1 d D . . . .
F3 F 0.7671(5) 0.5453(4) 0.6016(4) 0.0889(15) Uani 1 1 d D . . . .
F4 F 0.8844(4) 0.6232(3) 0.4705(3) 0.0630(10) Uani 1 1 d D . . . .
F5 F 0.8967(3) 0.7371(3) 0.5419(3) 0.0580(10) Uani 1 1 d D . . . .
F6 F 0.9515(5) 0.5409(4) 0.6397(4) 0.1002(18) Uani 1 1 d D . . . .
P2 P 0.2913(4) 0.9088(3) 0.8520(3) 0.0466(9) Uani 0.775(6) 1 d D U P A 1
F7 F 0.1574(6) 0.9732(6) 0.8061(6) 0.078(2) Uani 0.775(6) 1 d D U P A 1
F8 F 0.3311(6) 0.9122(5) 0.7413(5) 0.0655(18) Uani 0.775(6) 1 d D U P A 1
F9 F 0.2770(5) 0.7831(5) 0.8903(6) 0.084(2) Uani 0.775(6) 1 d D U P A 1
F10 F 0.2506(7) 0.9036(9) 0.9644(5) 0.100(2) Uani 0.775(6) 1 d D U P A 1
F11 F 0.3093(6) 1.0321(5) 0.8139(5) 0.0676(17) Uani 0.775(6) 1 d D U P A 1
F12 F 0.4247(5) 0.8445(5) 0.8992(5) 0.087(2) Uani 0.775(6) 1 d D U P A 1
P2B P 0.2880(13) 0.9362(12) 0.8612(11) 0.057(3) Uani 0.225(6) 1 d D U P A 2
F7B F 0.1612(18) 0.936(2) 0.837(2) 0.072(6) Uani 0.225(6) 1 d D U P A 2
F8B F 0.350(2) 0.8792(18) 0.7870(17) 0.078(6) Uani 0.225(6) 1 d D U P A 2
F9B F 0.3031(19) 0.8120(16) 0.9630(16) 0.106(7) Uani 0.225(6) 1 d D U P A 2
F10B F 0.2230(15) 0.9962(18) 0.9356(13) 0.061(4) Uani 0.225(6) 1 d D U P A 2
F11B F 0.260(2) 1.0651(14) 0.7617(15) 0.086(6) Uani 0.225(6) 1 d D U P A 2
F12B F 0.4093(14) 0.9402(19) 0.8863(16) 0.085(5) Uani 0.225(6) 1 d D U P A 2
P3 P 0.1522(11) 0.4238(12) 0.9837(11) 0.0758(14) Uani 0.2 1 d D . P B -1
F13 F 0.191(2) 0.380(2) 1.1055(12) 0.079(2) Uani 0.2 1 d D . P B -1
F14 F 0.2663(15) 0.4592(19) 0.9442(16) 0.078(2) Uani 0.2 1 d D . P B -1
F15 F 0.2193(19) 0.2922(14) 0.9983(18) 0.079(2) Uani 0.2 1 d D . P B -1
F16 F 0.0331(16) 0.390(2) 1.0239(17) 0.076(2) Uani 0.2 1 d D . P B -1
F17 F 0.0854(18) 0.5550(14) 0.9730(18) 0.078(2) Uani 0.2 1 d D . P B -1
F18 F 0.096(2) 0.4769(18) 0.8669(12) 0.079(2) Uani 0.2 1 d D . P B -1
P3B P 0.1666(12) 0.4260(12) 0.9803(10) 0.0758(14) Uani 0.2 1 d D . P C -2
F13B F 0.153(2) 0.449(2) 1.0831(14) 0.077(2) Uani 0.2 1 d D . P C -2
F14B F 0.2299(19) 0.5224(17) 0.9238(15) 0.077(2) Uani 0.2 1 d D . P C -2
F15B F 0.2920(15) 0.3244(16) 1.0310(16) 0.079(2) Uani 0.2 1 d D . P C -2
F16B F 0.0931(19) 0.3366(17) 1.0402(15) 0.078(2) Uani 0.2 1 d D . P C -2
F17B F 0.0427(15) 0.5308(16) 0.9253(16) 0.081(2) Uani 0.2 1 d D . P C -2
F18B F 0.177(2) 0.405(2) 0.8790(14) 0.077(2) Uani 0.2 1 d D . P C -2
P3C P 0.0451(15) 0.4801(18) 0.9957(16) 0.0758(14) Uani 0.1 1 d D . P D -3
F13C F 0.133(3) 0.417(3) 0.928(3) 0.078(2) Uani 0.1 1 d D . P D -3
F14C F -0.017(3) 0.383(3) 1.035(3) 0.077(2) Uani 0.1 1 d D . P D -3
F15C F -0.043(3) 0.557(3) 0.891(2) 0.078(3) Uani 0.1 1 d D . P D -3
F16C F 0.121(3) 0.569(3) 0.953(3) 0.076(2) Uani 0.1 1 d D . P D -3
F17C F 0.140(3) 0.390(3) 1.097(2) 0.077(2) Uani 0.1 1 d D . P D -3
F18C F -0.025(3) 0.536(3) 1.068(3) 0.076(2) Uani 0.1 1 d D . P D -3
O2 O -0.251(3) 0.945(3) 0.826(2) 0.071(7) Uani 0.2 1 d D U P E 1
H2A H -0.177207 0.917104 0.839983 0.106 Uiso 0.2 1 calc R U P E 1
C30 C -0.302(4) 0.853(4) 0.886(3) 0.073(11) Uani 0.2 1 d D U P E 1
H30A H -0.381234 0.877577 0.854638 0.109 Uiso 0.2 1 calc . U P F 1
H30B H -0.308029 0.840267 0.959969 0.109 Uiso 0.2 1 calc . U P G 1
H30C H -0.251713 0.780302 0.884078 0.109 Uiso 0.2 1 calc . U P H 1
O3 O -0.317(3) 0.997(3) 0.935(2) 0.089(8) Uani 0.2 1 d D U P I 3
H3A H -0.380772 1.005386 0.966429 0.133 Uiso 0.2 1 calc R U P I 3
C31 C -0.327(7) 0.958(5) 0.859(5) 0.064(9) Uani 0.2 1 d D U P I 3
H31A H -0.250494 0.939834 0.827513 0.095 Uiso 0.2 1 calc . U P J 3
H31B H -0.387429 1.019930 0.802763 0.095 Uiso 0.2 1 calc . U P K 3
H31C H -0.349643 0.886283 0.894923 0.095 Uiso 0.2 1 calc . U P L 3
O4 O -0.357(2) 0.950(2) 0.934(3) 0.067(7) Uani 0.2 1 d D U P M 4
H5A H -0.315630 0.886631 0.983360 0.100 Uiso 0.2 1 calc R U P M 4
C32 C -0.478(2) 0.959(3) 0.947(3) 0.051(8) Uani 0.2 1 d D U P M 4
H32A H -0.520439 1.004030 0.876585 0.077 Uiso 0.2 1 calc . U P N 4
H32B H -0.511730 0.999134 0.990224 0.077 Uiso 0.2 1 calc . U P O 4
H32C H -0.484049 0.879578 0.981770 0.077 Uiso 0.2 1 calc . U P P 4
O5 O -0.229(2) 0.7566(17) 0.9511(17) 0.143(7) Uani 0.2 1 d D . P M -4
C33 C -0.211(4) 0.641(2) 0.963(3) 0.143(7) Uani 0.2 1 d D . P M -4
H33A H -0.237045 0.652708 0.894405 0.172 Uiso 0.2 1 calc R U P M -4
H33B H -0.267923 0.610917 1.015526 0.172 Uiso 0.2 1 calc R U P M -4
C34 C -0.089(5) 0.538(5) 0.998(7) 0.143(7) Uani 0.2 1 d D . P M -4
H34A H -0.038732 0.551694 1.037032 0.215 Uiso 0.2 1 calc . U P Q -4
H34B H -0.050121 0.534924 0.934806 0.215 Uiso 0.2 1 calc . U P R -4
H34C H -0.102636 0.462959 1.044324 0.215 Uiso 0.2 1 calc . U P S -4
C35 C -0.276(4) 0.854(3) 0.852(2) 0.143(7) Uani 0.2 1 d D . P M -4
H35A H -0.343305 0.843457 0.828146 0.172 Uiso 0.2 1 calc R U P M -4
H35B H -0.214667 0.854734 0.799253 0.172 Uiso 0.2 1 calc R U P M -4
C36 C -0.319(7) 0.973(4) 0.852(5) 0.143(7) Uani 0.2 1 d D . P M -4
H36A H -0.378418 0.972669 0.905366 0.215 Uiso 0.2 1 calc . U P T -4
H36B H -0.353709 1.035154 0.781736 0.215 Uiso 0.2 1 calc . U P U -4
H36C H -0.251555 0.987056 0.870478 0.215 Uiso 0.2 1 calc . U P V -4
O5B O -0.229(2) 0.7566(17) 0.9511(17) 0.143(7) Uani 0.2 1 d . . P W -5
C33B C -0.211(4) 0.641(2) 0.963(3) 0.143(7) Uani 0.2 1 d . . P W -5
H33C H -0.142730 0.617686 0.923692 0.172 Uiso 0.2 1 calc R U P W -5
H33D H -0.282473 0.639743 0.936559 0.172 Uiso 0.2 1 calc R U P W -5
C34B C -0.184(8) 0.545(6) 1.101(6) 0.143(7) Uani 0.2 1 d . . P W -5
H34D H -0.118864 0.554425 1.128055 0.215 Uiso 0.2 1 calc . U P X -5
H34E H -0.161657 0.463167 1.113036 0.215 Uiso 0.2 1 calc . U P Y -5
H34F H -0.255389 0.563534 1.138220 0.215 Uiso 0.2 1 calc . U P Z -5
C35B C -0.276(4) 0.854(3) 0.852(2) 0.143(7) Uani 0.2 1 d . . P W -5
H35C H -0.343305 0.843457 0.828146 0.172 Uiso 0.2 1 calc R U P W -5
H35D H -0.214667 0.854734 0.799253 0.172 Uiso 0.2 1 calc R U P W -5
C36B C -0.319(7) 0.973(4) 0.852(5) 0.143(7) Uani 0.2 1 d . . P W -5
H36D H -0.404943 0.997977 0.857228 0.215 Uiso 0.2 1 calc . U P A -5
H36E H -0.297792 1.031172 0.786566 0.215 Uiso 0.2 1 calc . U P B -5
H36F H -0.280947 0.965729 0.913786 0.215 Uiso 0.2 1 calc . U P C -5
O1 O 0.5046(3) 0.5770(3) 0.5195(3) 0.0303(8) Uani 1 1 d D . . . .
H1A H 0.500000 0.500000 0.500000 0.045 Uiso 1 2 d S U P . .
H1B H 0.577(3) 0.555(5) 0.554(4) 0.045 Uiso 1 1 d D U . . .
N1 N 0.3696(4) 0.8201(4) 0.5023(4) 0.0305(10) Uani 1 1 d . . . . .
N2 N 0.2072(4) 0.7520(4) 0.6263(4) 0.0347(11) Uani 1 1 d . . . . .
N3 N 0.4491(4) 0.6007(4) 0.7156(4) 0.0321(10) Uani 1 1 d . . . . .
N4 N 0.3471(4) 0.4868(4) 0.6720(4) 0.0318(10) Uani 1 1 d . . . . .
N5 N 0.2580(4) 0.7025(4) 0.4433(4) 0.0304(10) Uani 1 1 d . . . . .
N6 N 0.0326(4) 0.7572(4) 0.1235(4) 0.0413(12) Uani 1 1 d . . . . .
C1 C 0.4584(5) 0.8462(5) 0.4409(5) 0.0381(13) Uani 1 1 d . . . . .
H1 H 0.518513 0.785066 0.431096 0.046 Uiso 1 1 calc R U . . .
C2 C 0.4662(6) 0.9585(5) 0.3911(5) 0.0461(15) Uani 1 1 d . . . . .
H2 H 0.531158 0.973856 0.349110 0.055 Uiso 1 1 calc R U . . .
C3 C 0.3784(6) 1.0472(5) 0.4035(6) 0.0519(17) Uani 1 1 d . . . . .
H3 H 0.381641 1.125166 0.369816 0.062 Uiso 1 1 calc R U . . .
C4 C 0.2856(6) 1.0225(5) 0.4651(5) 0.0465(15) Uani 1 1 d . . . . .
H4 H 0.224062 1.083441 0.474064 0.056 Uiso 1 1 calc R U . . .
C5 C 0.2822(5) 0.9082(5) 0.5140(4) 0.0344(12) Uani 1 1 d . . . . .
C6 C 0.1899(5) 0.8703(5) 0.5841(4) 0.0356(13) Uani 1 1 d . . . . .
C7 C 0.0938(6) 0.9445(6) 0.6085(5) 0.0473(16) Uani 1 1 d . . . . .
H7 H 0.084260 1.025979 0.579252 0.057 Uiso 1 1 calc R U . . .
C8 C 0.0120(6) 0.9006(6) 0.6750(5) 0.0551(18) Uani 1 1 d . . . . .
H8 H -0.055257 0.951352 0.691038 0.066 Uiso 1 1 calc R U . . .
C9 C 0.0293(6) 0.7821(7) 0.7178(5) 0.0541(18) Uani 1 1 d . . . . .
H9 H -0.025662 0.749678 0.764645 0.065 Uiso 1 1 calc R U . . .
C10 C 0.1271(5) 0.7105(6) 0.6922(5) 0.0463(15) Uani 1 1 d . . . . .
H10 H 0.138168 0.628641 0.722477 0.056 Uiso 1 1 calc R U . . .
C11 C 0.4936(5) 0.6682(5) 0.7364(5) 0.0419(14) Uani 1 1 d . . . . .
H11 H 0.476249 0.748993 0.686083 0.050 Uiso 1 1 calc R U . . .
C12 C 0.5624(6) 0.6250(6) 0.8268(5) 0.0467(15) Uani 1 1 d . . . . .
H12 H 0.592353 0.675136 0.838015 0.056 Uiso 1 1 calc R U . . .
C13 C 0.5874(6) 0.5085(6) 0.9008(5) 0.0464(15) Uani 1 1 d . . . . .
H13 H 0.635088 0.476704 0.963800 0.056 Uiso 1 1 calc R U . . .
C14 C 0.5425(5) 0.4391(5) 0.8822(5) 0.0416(14) Uani 1 1 d . . . . .
H14 H 0.558534 0.358545 0.932995 0.050 Uiso 1 1 calc R U . . .
C15 C 0.4732(5) 0.4853(5) 0.7895(4) 0.0323(12) Uani 1 1 d . . . . .
C16 C 0.4191(5) 0.4207(5) 0.7628(5) 0.0364(13) Uani 1 1 d . . . . .
C17 C 0.4362(5) 0.3011(5) 0.8237(5) 0.0414(14) Uani 1 1 d . . . . .
H17 H 0.484762 0.256837 0.887860 0.050 Uiso 1 1 calc R U . . .
C18 C 0.3826(6) 0.2465(5) 0.7911(5) 0.0467(16) Uani 1 1 d . . . . .
H18 H 0.395211 0.164245 0.831136 0.056 Uiso 1 1 calc R U . . .
C19 C 0.3110(5) 0.3134(5) 0.7000(5) 0.0423(14) Uani 1 1 d . . . . .
H19 H 0.273193 0.277546 0.676171 0.051 Uiso 1 1 calc R U . . .
C20 C 0.2933(5) 0.4318(5) 0.6427(5) 0.0366(13) Uani 1 1 d . . . . .
H20 H 0.241585 0.476891 0.580382 0.044 Uiso 1 1 calc R U . . .
C21 C 0.3130(5) 0.7219(5) 0.3504(4) 0.0337(12) Uani 1 1 d . . . . .
H21 H 0.396237 0.706396 0.350955 0.040 Uiso 1 1 calc R U . . .
C22 C 0.2529(5) 0.7631(5) 0.2558(5) 0.0357(13) Uani 1 1 d . . . . .
H22 H 0.295231 0.774238 0.192983 0.043 Uiso 1 1 calc R U . . .
C23 C 0.1321(5) 0.7884(5) 0.2508(4) 0.0336(12) Uani 1 1 d . . . . .
C24 C 0.0755(5) 0.7697(5) 0.3455(5) 0.0358(13) Uani 1 1 d . . . . .
H24 H -0.008049 0.787896 0.345700 0.043 Uiso 1 1 calc R U . . .
C25 C 0.1403(5) 0.7249(5) 0.4388(5) 0.0343(12) Uani 1 1 d . . . . .
H25 H 0.100025 0.709142 0.503011 0.041 Uiso 1 1 calc R U . . .
C26 C 0.0649(5) 0.8422(5) 0.1461(5) 0.0396(14) Uani 1 1 d . . . . .
H26A H 0.113167 0.879888 0.088270 0.048 Uiso 1 1 calc R U . . .
H26B H -0.008933 0.905165 0.144073 0.048 Uiso 1 1 calc R U . . .
C27 C 0.1390(6) 0.6557(5) 0.1330(5) 0.0480(16) Uani 1 1 d . . . . .
H27A H 0.117017 0.605837 0.111387 0.072 Uiso 1 1 calc R U . . .
H27B H 0.171186 0.609320 0.207009 0.072 Uiso 1 1 calc R U . . .
H27C H 0.199097 0.685070 0.086721 0.072 Uiso 1 1 calc R U . . .
C28 C -0.0580(6) 0.7133(6) 0.1980(6) 0.0547(17) Uani 1 1 d . . . . .
H28A H -0.126471 0.780792 0.193729 0.082 Uiso 1 1 calc R U . . .
H28B H -0.022881 0.666102 0.271086 0.082 Uiso 1 1 calc R U . . .
H28C H -0.083683 0.664436 0.177722 0.082 Uiso 1 1 calc R U . . .
C29 C -0.0211(7) 0.8229(7) 0.0125(5) 0.066(2) Uani 1 1 d . . . . .
H29A H 0.037531 0.849967 -0.037553 0.100 Uiso 1 1 calc R U . . .
H29B H -0.090044 0.891222 0.005541 0.100 Uiso 1 1 calc R U . . .
H29C H -0.046148 0.770675 -0.003576 0.100 Uiso 1 1 calc R U . . .


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 N3 2.032(5) . ?
Os1 N2 2.033(4) . ?
Os1 N1 2.051(4) . ?
Os1 N4 2.062(4) . ?
Os1 N5 2.098(5) . ?
Os1 O1 2.103(3) . ?
P1 F6 1.575(4) . ?
P1 F2 1.585(4) . ?
P1 F4 1.586(4) . ?
P1 F1 1.590(4) . ?
P1 F5 1.599(4) . ?
P1 F3 1.625(4) . ?
P2 F8 1.576(6) . ?
P2 F12 1.588(6) . ?
P2 F7 1.588(6) . ?
P2 F11 1.588(5) . ?
P2 F10 1.594(6) . ?
P2 F9 1.597(6) . ?
P2B F12B 1.567(13) . ?
P2B F8B 1.567(13) . ?
P2B F9B 1.594(13) . ?
P2B F7B 1.601(13) . ?
P2B F11B 1.603(13) . ?
P2B F10B 1.603(13) . ?
P3 F14 1.569(11) . ?
P3 F18 1.590(11) . ?
P3 F15 1.608(11) . ?
P3 F13 1.613(11) . ?
P3 F16 1.619(11) . ?
P3 F17 1.621(11) . ?
P3B F18B 1.577(11) . ?
P3B F14B 1.584(11) . ?
P3B F15B 1.607(11) . ?
P3B F16B 1.609(11) . ?
P3B F13B 1.612(11) . ?
P3B F17B 1.619(12) . ?
P3C F18C 1.558(14) . ?
P3C F14C 1.585(12) . ?
P3C F15C 1.607(12) . ?
P3C F16C 1.613(12) . ?
P3C F17C 1.624(12) . ?
P3C F13C 1.636(12) . ?
O2 C30 1.44(2) . ?
O3 C31 1.44(2) . ?
O4 C36 1.13(7) . ?
O4 C32 1.405(19) . ?
O5 C35 1.408(19) . ?
O5 C33 1.433(19) . ?
C33 C34 1.57(2) . ?
C35 C36 1.52(2) . ?
O5B C35B 1.408(19) . ?
O5B C33B 1.433(19) . ?
C33B C34B 1.76(8) . ?
C35B C36B 1.52(2) . ?
O1 H1B 0.93(2) . ?
O1 H1A 1.220(3) . ?
O1 O1 2.441(7) 2_666 ?
N1 C1 1.338(7) . ?
N1 C5 1.358(7) . ?
N2 C10 1.342(7) . ?
N2 C6 1.372(7) . ?
N3 C11 1.356(7) . ?
N3 C15 1.364(7) . ?
N4 C20 1.357(7) . ?
N4 C16 1.363(7) . ?
N5 C25 1.345(7) . ?
N5 C21 1.361(7) . ?
N6 C27 1.485(8) . ?
N6 C29 1.492(8) . ?
N6 C28 1.505(8) . ?
N6 C26 1.506(7) . ?
C1 C2 1.382(8) . ?
C2 C3 1.369(9) . ?
C3 C4 1.375(9) . ?
C4 C5 1.387(8) . ?
C5 C6 1.469(8) . ?
C6 C7 1.380(8) . ?
C7 C8 1.374(10) . ?
C8 C9 1.373(10) . ?
C9 C10 1.381(8) . ?
C11 C12 1.374(9) . ?
C12 C13 1.375(9) . ?
C13 C14 1.367(9) . ?
C14 C15 1.394(8) . ?
C15 C16 1.450(8) . ?
C16 C17 1.387(8) . ?
C17 C18 1.379(9) . ?
C18 C19 1.364(9) . ?
C19 C20 1.368(8) . ?
C21 C22 1.373(8) . ?
C22 C23 1.377(8) . ?
C23 C24 1.389(8) . ?
C23 C26 1.503(8) . ?
C24 C25 1.376(8) . ?

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
N3 Os1 N2 92.30(17) . . ?
N3 Os1 N1 96.26(17) . . ?
N2 Os1 N1 78.93(18) . . ?
N3 Os1 N4 78.23(18) . . ?
N2 Os1 N4 101.80(17) . . ?
N1 Os1 N4 174.45(18) . . ?
N3 Os1 N5 176.59(17) . . ?
N2 Os1 N5 90.37(17) . . ?
N1 Os1 N5 86.34(16) . . ?
N4 Os1 N5 99.14(17) . . ?
N3 Os1 O1 90.31(15) . . ?
N2 Os1 O1 172.65(16) . . ?
N1 Os1 O1 93.97(15) . . ?
N4 Os1 O1 85.45(15) . . ?
N5 Os1 O1 87.29(15) . . ?
F6 P1 F2 90.3(3) . . ?
F6 P1 F4 90.0(3) . . ?
F2 P1 F4 179.5(3) . . ?
F6 P1 F1 179.1(3) . . ?
F2 P1 F1 89.3(3) . . ?
F4 P1 F1 90.3(2) . . ?
F6 P1 F5 89.6(3) . . ?
F2 P1 F5 89.2(2) . . ?
F4 P1 F5 90.4(2) . . ?
F1 P1 F5 89.6(2) . . ?
F6 P1 F3 92.9(3) . . ?
F2 P1 F3 90.1(2) . . ?
F4 P1 F3 90.3(2) . . ?
F1 P1 F3 87.9(3) . . ?
F5 P1 F3 177.4(3) . . ?
F8 P2 F12 90.9(4) . . ?
F8 P2 F7 89.8(4) . . ?
F12 P2 F7 179.3(5) . . ?
F8 P2 F11 89.9(4) . . ?
F12 P2 F11 88.9(4) . . ?
F7 P2 F11 91.0(4) . . ?
F8 P2 F10 179.2(5) . . ?
F12 P2 F10 89.2(4) . . ?
F7 P2 F10 90.1(4) . . ?
F11 P2 F10 90.9(4) . . ?
F8 P2 F9 89.5(4) . . ?
F12 P2 F9 89.7(4) . . ?
F7 P2 F9 90.4(4) . . ?
F11 P2 F9 178.5(4) . . ?
F10 P2 F9 89.7(4) . . ?
F12B P2B F8B 90.2(12) . . ?
F12B P2B F9B 93.5(12) . . ?
F8B P2B F9B 93.7(12) . . ?
F12B P2B F7B 177.5(14) . . ?
F8B P2B F7B 92.1(13) . . ?
F9B P2B F7B 87.1(12) . . ?
F12B P2B F11B 90.3(12) . . ?
F8B P2B F11B 90.0(12) . . ?
F9B P2B F11B 174.7(13) . . ?
F7B P2B F11B 89.0(12) . . ?
F12B P2B F10B 90.4(11) . . ?
F8B P2B F10B 179.0(14) . . ?
F9B P2B F10B 87.0(12) . . ?
F7B P2B F10B 87.2(12) . . ?
F11B P2B F10B 89.3(11) . . ?
F14 P3 F18 94.4(11) . . ?
F14 P3 F15 91.9(11) . . ?
F18 P3 F15 96.1(11) . . ?
F14 P3 F13 90.8(11) . . ?
F18 P3 F13 172.1(14) . . ?
F15 P3 F13 89.6(11) . . ?
F14 P3 F16 179.0(13) . . ?
F18 P3 F16 85.3(10) . . ?
F15 P3 F16 89.2(11) . . ?
F13 P3 F16 89.3(11) . . ?
F14 P3 F17 88.3(11) . . ?
F18 P3 F17 85.7(11) . . ?
F15 P3 F17 178.2(13) . . ?
F13 P3 F17 88.5(11) . . ?
F16 P3 F17 90.7(11) . . ?
F18B P3B F14B 91.0(10) . . ?
F18B P3B F15B 91.5(11) . . ?
F14B P3B F15B 90.7(11) . . ?
F18B P3B F16B 92.3(10) . . ?
F14B P3B F16B 174.8(13) . . ?
F15B P3B F16B 93.1(11) . . ?
F18B P3B F13B 178.9(14) . . ?
F14B P3B F13B 89.2(10) . . ?
F15B P3B F13B 89.6(11) . . ?
F16B P3B F13B 87.4(10) . . ?
F18B P3B F17B 87.3(11) . . ?
F14B P3B F17B 87.5(11) . . ?
F15B P3B F17B 177.8(13) . . ?
F16B P3B F17B 88.7(11) . . ?
F13B P3B F17B 91.6(11) . . ?
F18C P3C F14C 94.2(14) . . ?
F18C P3C F15C 99.9(14) . . ?
F14C P3C F15C 89.3(14) . . ?
F18C P3C F16C 91.6(14) . . ?
F14C P3C F16C 173.4(16) . . ?
F15C P3C F16C 92.8(14) . . ?
F18C P3C F17C 86.6(14) . . ?
F14C P3C F17C 87.4(14) . . ?
F15C P3C F17C 172.9(16) . . ?
F16C P3C F17C 89.8(14) . . ?
F18C P3C F13C 173.1(16) . . ?
F14C P3C F13C 89.0(14) . . ?
F15C P3C F13C 86.3(13) . . ?
F16C P3C F13C 84.9(13) . . ?
F17C P3C F13C 87.4(14) . . ?
C36 O4 C32 121(5) . . ?
C35 O5 C33 118(3) . . ?
O5 C33 C34 124(4) . . ?
O5 C35 C36 115(4) . . ?
O4 C36 C35 101(5) . . ?
C35B O5B C33B 118(3) . . ?
O5B C33B C34B 106(3) . . ?
O5B C35B C36B 115(4) . . ?
H1B O1 H1A 111(4) . . ?
H1B O1 Os1 116(4) . . ?
H1A O1 Os1 116.2(2) . . ?
H1B O1 O1 111(4) . 2_666 ?
H1A O1 O1 0.00(13) . 2_666 ?
Os1 O1 O1 116.2(2) . 2_666 ?
C1 N1 C5 118.6(5) . . ?
C1 N1 Os1 125.3(4) . . ?
C5 N1 Os1 116.1(4) . . ?
C10 N2 C6 117.7(5) . . ?
C10 N2 Os1 126.1(4) . . ?
C6 N2 Os1 116.2(4) . . ?
C11 N3 C15 117.7(5) . . ?
C11 N3 Os1 125.5(4) . . ?
C15 N3 Os1 116.7(4) . . ?
C20 N4 C16 117.9(5) . . ?
C20 N4 Os1 126.3(4) . . ?
C16 N4 Os1 115.1(4) . . ?
C25 N5 C21 116.7(5) . . ?
C25 N5 Os1 122.9(4) . . ?
C21 N5 Os1 120.2(4) . . ?
C27 N6 C29 109.4(5) . . ?
C27 N6 C28 109.9(5) . . ?
C29 N6 C28 108.2(5) . . ?
C27 N6 C26 111.1(4) . . ?
C29 N6 C26 107.6(5) . . ?
C28 N6 C26 110.6(5) . . ?
N1 C1 C2 122.7(6) . . ?
C3 C2 C1 118.7(6) . . ?
C2 C3 C4 119.5(6) . . ?
C3 C4 C5 119.6(6) . . ?
N1 C5 C4 120.9(5) . . ?
N1 C5 C6 114.4(5) . . ?
C4 C5 C6 124.6(5) . . ?
N2 C6 C7 121.4(6) . . ?
N2 C6 C5 114.3(5) . . ?
C7 C6 C5 124.3(5) . . ?
C8 C7 C6 120.0(6) . . ?
C9 C8 C7 118.8(6) . . ?
C8 C9 C10 119.5(6) . . ?
N2 C10 C9 122.6(6) . . ?
N3 C11 C12 123.1(6) . . ?
C11 C12 C13 119.2(6) . . ?
C14 C13 C12 118.8(6) . . ?
C13 C14 C15 120.7(6) . . ?
N3 C15 C14 120.5(5) . . ?
N3 C15 C16 114.2(5) . . ?
C14 C15 C16 125.3(5) . . ?
N4 C16 C17 121.1(5) . . ?
N4 C16 C15 114.8(5) . . ?
C17 C16 C15 124.0(5) . . ?
C18 C17 C16 120.0(6) . . ?
C19 C18 C17 118.4(6) . . ?
C18 C19 C20 120.5(6) . . ?
N4 C20 C19 122.1(6) . . ?
N5 C21 C22 122.5(5) . . ?
C21 C22 C23 120.7(5) . . ?
C22 C23 C24 116.8(5) . . ?
C22 C23 C26 120.8(5) . . ?
C24 C23 C26 122.2(5) . . ?
C25 C24 C23 120.2(5) . . ?
N5 C25 C24 123.0(5) . . ?
C23 C26 N6 115.2(4) . . ?

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
C35 O5 C33 C34 124(6) . . . . ?
C33 O5 C35 C36 166(5) . . . . ?
C32 O4 C36 C35 -91(5) . . . . ?
O5 C35 C36 O4 -37(7) . . . . ?
C35B O5B C33B C34B -167(4) . . . . ?
C33B O5B C35B C36B 166(5) . . . . ?
C5 N1 C1 C2 1.6(8) . . . . ?
Os1 N1 C1 C2 -178.8(4) . . . . ?
N1 C1 C2 C3 -1.2(9) . . . . ?
C1 C2 C3 C4 0.3(10) . . . . ?
C2 C3 C4 C5 0.2(10) . . . . ?
C1 N1 C5 C4 -1.1(8) . . . . ?
Os1 N1 C5 C4 179.2(4) . . . . ?
C1 N1 C5 C6 -179.1(5) . . . . ?
Os1 N1 C5 C6 1.2(6) . . . . ?
C3 C4 C5 N1 0.2(9) . . . . ?
C3 C4 C5 C6 178.0(6) . . . . ?
C10 N2 C6 C7 0.1(8) . . . . ?
Os1 N2 C6 C7 179.6(4) . . . . ?
C10 N2 C6 C5 179.2(5) . . . . ?
Os1 N2 C6 C5 -1.2(6) . . . . ?
N1 C5 C6 N2 0.0(7) . . . . ?
C4 C5 C6 N2 -177.9(5) . . . . ?
N1 C5 C6 C7 179.1(5) . . . . ?
C4 C5 C6 C7 1.2(9) . . . . ?
N2 C6 C7 C8 -1.0(9) . . . . ?
C5 C6 C7 C8 180.0(6) . . . . ?
C6 C7 C8 C9 1.3(10) . . . . ?
C7 C8 C9 C10 -0.7(10) . . . . ?
C6 N2 C10 C9 0.5(9) . . . . ?
Os1 N2 C10 C9 -179.0(5) . . . . ?
C8 C9 C10 N2 -0.1(10) . . . . ?
C15 N3 C11 C12 1.0(8) . . . . ?
Os1 N3 C11 C12 -177.2(4) . . . . ?
N3 C11 C12 C13 -0.5(9) . . . . ?
C11 C12 C13 C14 -0.2(9) . . . . ?
C12 C13 C14 C15 0.5(9) . . . . ?
C11 N3 C15 C14 -0.7(7) . . . . ?
Os1 N3 C15 C14 177.7(4) . . . . ?
C11 N3 C15 C16 178.0(5) . . . . ?
Os1 N3 C15 C16 -3.6(6) . . . . ?
C13 C14 C15 N3 0.0(8) . . . . ?
C13 C14 C15 C16 -178.6(5) . . . . ?
C20 N4 C16 C17 -0.5(7) . . . . ?
Os1 N4 C16 C17 -171.3(4) . . . . ?
C20 N4 C16 C15 -179.7(4) . . . . ?
Os1 N4 C16 C15 9.4(6) . . . . ?
N3 C15 C16 N4 -3.9(7) . . . . ?
C14 C15 C16 N4 174.7(5) . . . . ?
N3 C15 C16 C17 176.9(5) . . . . ?
C14 C15 C16 C17 -4.5(9) . . . . ?
N4 C16 C17 C18 1.9(8) . . . . ?
C15 C16 C17 C18 -178.9(5) . . . . ?
C16 C17 C18 C19 -1.7(9) . . . . ?
C17 C18 C19 C20 0.0(9) . . . . ?
C16 N4 C20 C19 -1.2(8) . . . . ?
Os1 N4 C20 C19 168.5(4) . . . . ?
C18 C19 C20 N4 1.4(9) . . . . ?
C25 N5 C21 C22 0.4(8) . . . . ?
Os1 N5 C21 C22 -173.9(4) . . . . ?
N5 C21 C22 C23 1.0(8) . . . . ?
C21 C22 C23 C24 -0.3(8) . . . . ?
C21 C22 C23 C26 175.3(5) . . . . ?
C22 C23 C24 C25 -1.7(8) . . . . ?
C26 C23 C24 C25 -177.2(5) . . . . ?
C21 N5 C25 C24 -2.5(8) . . . . ?
Os1 N5 C25 C24 171.6(4) . . . . ?
C23 C24 C25 N5 3.2(8) . . . . ?
C22 C23 C26 N6 101.3(6) . . . . ?
C24 C23 C26 N6 -83.4(7) . . . . ?
C27 N6 C26 C23 -54.2(6) . . . . ?
C29 N6 C26 C23 -173.9(5) . . . . ?
C28 N6 C26 C23 68.1(6) . . . . ?

