#------------------------------------------------------------------------------
#$Date: 2025-07-06 20:10:39 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300980 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/81/7718102.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7718102
loop_
_publ_author_name
'Sun, Jiangtian'
'Sun, Jingwen'
'Jolly, Brandon J.'
'Riu, Martin-Louis Y.'
'Kerr, Tyler A.'
'Lai, Yi-An'
'Pung, Michael J.'
'Liu, Chong'
'Nava, Matthew'
_publ_section_title
;
 Synthesis of [Os(bpy)2(py)(OH2)](PF6)x substituted pyridine complexes;
 characterization of a singly bridged H3O2− ligand
;
_journal_issue                   12
_journal_name_full               'Dalton Transactions'
_journal_page_first              5109
_journal_page_last               5118
_journal_paper_doi               10.1039/D5DT00419E
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum
'C4.51 H5.43 Cl0.1 F1.23 N0.77 O0.41 Os0.15 P0.21'
_chemical_formula_weight         139.66
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_method
;FinalCif V136 by Daniel Kratzert, Freiburg 2024, 
https://dkratzert.de/finalcif.html
;
_audit_update_record
;
2024-06-07 deposited with the CCDC.	2025-02-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.552(2)
_cell_angle_gamma                90
_cell_formula_units_Z            26
_cell_length_a                   17.1152(10)
_cell_length_b                   8.7658(5)
_cell_length_c                   22.3304(14)
_cell_measurement_reflns_used    9878
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.0845
_cell_measurement_theta_min      2.873
_cell_volume                     3270.1(3)
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_collection       'Bruker BIS V6.2.12/2019-08-12'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker Photon III Area Detector'
_diffrn_detector_area_resol_mean 7.407
_diffrn_detector_type            'CPAD Area Detector'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measurement_device       'Fixed Chi Three-Circle Diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Double Bounce Multilayer Mirrors'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0652
_diffrn_reflns_av_unetI/netI     0.0470
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.919
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            63243
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.919
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.590
_diffrn_reflns_theta_min         2.731
_diffrn_source                   'Micro Focus Rotating Anode'
_diffrn_source_current           50.0
_diffrn_source_type              'Bruker TXS'
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    4.104
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6294
_exptl_absorpt_correction_type   multi-scan
_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_crystal_colour            red
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_description       plate
_exptl_crystal_F_000             1788
_exptl_crystal_recrystallization_method 'Ethanol - Diethyl Ether Layering'
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_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_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     531
_refine_ls_number_reflns         9264
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.195
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0001P)²+10.4464P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0562
_refine_ls_wR_factor_ref         0.0628
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7227
_reflns_number_total             9264
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt00419e2.cif
_cod_data_source_block           nava2409
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7718102--7718103.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum
'C4.51 H5.43 Cl0.10 F1.23 N0.77 O0.41 Os0.15 P0.21'
_cod_database_code               7718102
_shelx_shelxl_version_number     2018/3
_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'
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_
_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'
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) . . ?
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) . ?
