#------------------------------------------------------------------------------
#$Date: 2018-09-02 04:43:48 +0300 (Sun, 02 Sep 2018) $
#$Revision: 210348 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/44/4304400.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_4304400
loop_
_publ_author_name
'Dabb, Serin L.'
'Messerle, Barbara A.'
'Smith, Matthew K.'
'Willis, Anthony C.'
_publ_section_title
;
 Ru and Os Complexes Containing a P,N-Donor Heterotopic Ligand:
 The Effect of Solvent on Stereochemistry
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3034
_journal_page_last               3044
_journal_paper_doi               10.1021/ic7019044
_journal_volume                  47
_journal_year                    2008
_chemical_compound_source        'from UNSW'
_chemical_formula_moiety
;
    C68 H68 Cl2 N8 Os2 P4 2+, 2(C24 H20 B -), 4(C3 H6 O)
;
_chemical_formula_sum            'C128 H132 B2 Cl2 N8 O4 Os2 P4'
_chemical_formula_weight         2443.33
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             06-12-04
_audit_creation_method           CRYSTALS_ver_12.18
_audit_update_record
;
2006-12-04 - Report on C128 H132 B2 Cl2 N8 O4 Os2 P4
             by Anthony C. Willis
             for   Serin Dabb and Barbara Messerle (UNSW)


2006-12-05 - passes checkcif tests with minor warnings

;
_cell_angle_alpha                90
_cell_angle_beta                 97.2536(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.4958(1)
_cell_length_b                   30.2710(2)
_cell_length_c                   20.4361(2)
_cell_measurement_reflns_used    221892
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.6
_cell_volume                     11350.32(15)
_computing_cell_refinement       'Denzo/Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius BV, 1997)'
_computing_data_reduction        'Denzo/Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics
; 
ORTEP-II (Johnson 1976) in teXsan (MSC, 1992-1997)
;
_computing_publication_material  'CRYSTALS (Watkin et al 2003)'
_computing_structure_refinement  'CRYSTALS (Watkin et al 2003)'
_computing_structure_solution    'SIR92 (Altomare et al, 1994)'
_diffrn_ambient_temperature      200
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       ' φ and ω scans with CCD '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.059
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            191655
_diffrn_reflns_theta_full        27.476
_diffrn_reflns_theta_max         27.476
_diffrn_reflns_theta_min         2.553
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.398
_exptl_absorpt_correction_T_max  0.683
_exptl_absorpt_correction_T_min  0.435
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
via Gaussian method (Coppens, 1970) implemented in maXus (2000)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4976
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.19
_refine_diff_density_min         -1.00
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9562
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1344
_refine_ls_number_reflns         25915
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0242
_refine_ls_shift/su_max          0.09
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method, Chebychev polynomial, (Watkin, 1994, Prince, 1982). 

  w = [1-(Fₒ - Fc)²/36σ²(F)]²/ 
 [19.0T₀(x) + 28.3T₁(x) + 16.1T₂(x) + 6.33T₃(x) + 0.829T₄(x)]

 where Ti are the Chebychev polynomials and x = Fc/Fₘₐₓ
(Watkin, 1994, Prince, 1982)

;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0733
_refine_ls_wR_factor_gt          0.0561
_refine_ls_wR_factor_ref         0.0733
_reflns_limit_h_max              23
_reflns_limit_h_min              -24
_reflns_limit_k_max              39
_reflns_limit_k_min              0
_reflns_limit_l_max              26
_reflns_limit_l_min              0
_reflns_number_gt                18018
_reflns_number_total             25984
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   1.90
_oxford_diffrn_Wilson_scale      148.16
_oxford_refine_ls_scale          0.108756(11)
_oxford_structure_analysis_title '11301147 nsw0612'
_cod_data_source_file            ic7019044-file006.cif
_cod_data_source_block           nsw0612
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_database_code               4304400
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x+1/2,y+1/2,-z+1/2
x+1/2,-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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Os1 Os 0.231914(6) 0.749821(4) 0.516959(6) 0.0229 1.0000 Uani . . . . . .
Os2 Os 0.413516(6) 0.695792(4) 0.488345(6) 0.0235 1.0000 Uani . . . . . .
Cl1 Cl 0.34756(4) 0.72249(3) 0.57913(4) 0.0285 1.0000 Uani . . . . . .
Cl2 Cl 0.29747(4) 0.72132(3) 0.42547(4) 0.0276 1.0000 Uani . . . . . .
P1 P 0.18670(5) 0.77014(3) 0.61128(4) 0.0264 1.0000 Uani . . . . . .
P2 P 0.13343(4) 0.77172(3) 0.44629(4) 0.0264 1.0000 Uani . . . . . .
P3 P 0.51171(5) 0.67821(3) 0.56314(4) 0.0279 1.0000 Uani . . . . . .
P4 P 0.46168(5) 0.67413(3) 0.39629(4) 0.0285 1.0000 Uani . . . . . .
O710 O 0.2021(3) 0.6853(3) 0.1068(3) 0.1448 1.0000 Uani . . . . . .
O720 O 0.5272(3) 0.41224(15) 0.0705(3) 0.1010 1.0000 Uani . . . . . .
O730 O -0.0060(4) 0.62578(16) 0.1563(3) 0.1587 1.0000 Uani . . . . . .
O740 O -0.1441(9) 0.5343(7) 0.4423(5) 0.123(4) 0.345(10) Uiso D . P . . .
O753 O -0.0231(7) 0.5510(4) 0.4386(4) 0.172(5) 0.655(10) Uiso D . P . . .
N11 N 0.19087(15) 0.68475(9) 0.51977(14) 0.0284 1.0000 Uani . . . . . .
N15 N 0.17171(16) 0.66313(9) 0.57363(14) 0.0301 1.0000 Uani . . . . . .
N21 N 0.28372(15) 0.81203(9) 0.51367(13) 0.0272 1.0000 Uani . . . . . .
N25 N 0.26888(16) 0.84455(9) 0.46758(14) 0.0313 1.0000 Uani . . . . . .
N31 N 0.44931(15) 0.76123(9) 0.47710(14) 0.0292 1.0000 Uani . . . . . .
N35 N 0.49793(16) 0.78458(10) 0.51970(15) 0.0343 1.0000 Uani . . . . . .
N41 N 0.36330(15) 0.63361(9) 0.49941(14) 0.0288 1.0000 Uani . . . . . .
N45 N 0.34958(17) 0.60164(10) 0.45262(15) 0.0345 1.0000 Uani . . . . . .
C12 C 0.17232(19) 0.65760(11) 0.46871(18) 0.0335 1.0000 Uani . . . . . .
C13 C 0.1405(2) 0.61898(13) 0.4891(2) 0.0416 1.0000 Uani . . . . . .
C14 C 0.1408(2) 0.62349(12) 0.5558(2) 0.0400 1.0000 Uani . . . . . .
C16 C 0.1880(2) 0.67961(12) 0.64036(17) 0.0338 1.0000 Uani . . . . . .
C17 C 0.14796(19) 0.72253(11) 0.65123(17) 0.0317 1.0000 Uani . . . . . .
C22 C 0.33422(18) 0.82929(12) 0.55931(17) 0.0319 1.0000 Uani . . . . . .
C23 C 0.3510(2) 0.87234(13) 0.5432(2) 0.0409 1.0000 Uani . . . . . .
C24 C 0.3093(2) 0.88097(12) 0.4844(2) 0.0395 1.0000 Uani . . . . . .
C26 C 0.2221(2) 0.83880(12) 0.40558(17) 0.0336 1.0000 Uani . . . . . .
C27 C 0.14316(19) 0.82797(11) 0.41428(17) 0.0328 1.0000 Uani . . . . . .
C32 C 0.43047(19) 0.78845(11) 0.42569(18) 0.0330 1.0000 Uani . . . . . .
C33 C 0.4669(2) 0.82859(12) 0.4348(2) 0.0412 1.0000 Uani . . . . . .
C34 C 0.5085(2) 0.82531(13) 0.4951(2) 0.0415 1.0000 Uani . . . . . .
C36 C 0.5254(2) 0.76944(12) 0.58545(18) 0.0374 1.0000 Uani . . . . . .
C37 C 0.56973(19) 0.72673(12) 0.58600(18) 0.0346 1.0000 Uani . . . . . .
C42 C 0.34262(19) 0.61652(12) 0.55430(18) 0.0345 1.0000 Uani . . . . . .
C43 C 0.3167(2) 0.57348(13) 0.5434(2) 0.0455 1.0000 Uani . . . . . .
C44 C 0.3212(2) 0.56541(13) 0.4785(2) 0.0464 1.0000 Uani . . . . . .
C46 C 0.3541(2) 0.60873(12) 0.38298(18) 0.0392 1.0000 Uani . . . . . .
C47 C 0.4312(2) 0.61867(12) 0.36845(19) 0.0380 1.0000 Uani . . . . . .
C111 C 0.25309(18) 0.79107(12) 0.68040(16) 0.0308 1.0000 Uani . . . . . .
C112 C 0.3022(2) 0.76234(13) 0.71556(18) 0.0384 1.0000 Uani . . . . . .
C113 C 0.3508(2) 0.77730(14) 0.7681(2) 0.0434 1.0000 Uani . . . . . .
C114 C 0.3513(2) 0.82097(16) 0.7869(2) 0.0493 1.0000 Uani . . . . . .
C115 C 0.3039(3) 0.85018(15) 0.7518(2) 0.0551 1.0000 Uani . . . . . .
C116 C 0.2547(2) 0.83520(13) 0.6992(2) 0.0444 1.0000 Uani . . . . . .
C121 C 0.11655(19) 0.81275(12) 0.61214(17) 0.0326 1.0000 Uani . . . . . .
C122 C 0.1246(2) 0.85273(12) 0.57965(18) 0.0389 1.0000 Uani . . . . . .
C123 C 0.0757(3) 0.88694(14) 0.5840(2) 0.0495 1.0000 Uani . . . . . .
C124 C 0.0175(3) 0.88168(16) 0.6199(2) 0.0557 1.0000 Uani . . . . . .
C125 C 0.0096(3) 0.84256(16) 0.6522(3) 0.0607 1.0000 Uani . . . . . .
C126 C 0.0585(2) 0.80808(14) 0.6483(2) 0.0477 1.0000 Uani . . . . . .
C211 C 0.11565(18) 0.74070(11) 0.36740(16) 0.0295 1.0000 Uani . . . . . .
C212 C 0.1622(2) 0.74558(12) 0.31915(17) 0.0349 1.0000 Uani . . . . . .
C213 C 0.1507(2) 0.72262(13) 0.25989(18) 0.0394 1.0000 Uani . . . . . .
C214 C 0.0928(2) 0.69400(13) 0.24763(19) 0.0428 1.0000 Uani . . . . . .
C215 C 0.0458(2) 0.68908(14) 0.2944(2) 0.0470 1.0000 Uani . . . . . .
C216 C 0.0568(2) 0.71235(14) 0.3532(2) 0.0429 1.0000 Uani . . . . . .
C221 C 0.04166(18) 0.77049(12) 0.47104(17) 0.0320 1.0000 Uani . . . . . .
C222 C 0.0194(2) 0.73251(14) 0.50201(19) 0.0390 1.0000 Uani . . . . . .
C223 C -0.0520(2) 0.72825(18) 0.5152(2) 0.0554 1.0000 Uani . . . . . .
C224 C -0.1012(2) 0.7615(2) 0.4984(3) 0.0661 1.0000 Uani . . . . . .
C225 C -0.0801(2) 0.79942(17) 0.4683(3) 0.0606 1.0000 Uani . . . . . .
C226 C -0.0087(2) 0.80383(14) 0.4548(2) 0.0428 1.0000 Uani . . . . . .
C311 C 0.49122(18) 0.66042(12) 0.64572(16) 0.0316 1.0000 Uani . . . . . .
C312 C 0.4870(2) 0.69016(13) 0.69720(18) 0.0382 1.0000 Uani . . . . . .
C313 C 0.4744(2) 0.67561(15) 0.7591(2) 0.0460 1.0000 Uani . . . . . .
C314 C 0.4635(2) 0.63124(15) 0.7704(2) 0.0484 1.0000 Uani . . . . . .
C315 C 0.4661(2) 0.60146(15) 0.7196(2) 0.0458 1.0000 Uani . . . . . .
C316 C 0.4801(2) 0.61586(13) 0.65808(19) 0.0379 1.0000 Uani . . . . . .
C321 C 0.57664(19) 0.63462(12) 0.54760(16) 0.0328 1.0000 Uani . . . . . .
C322 C 0.5502(2) 0.59572(13) 0.51612(19) 0.0399 1.0000 Uani . . . . . .
C323 C 0.5976(3) 0.56167(14) 0.5055(2) 0.0490 1.0000 Uani . . . . . .
C324 C 0.6714(3) 0.56629(15) 0.5254(2) 0.0538 1.0000 Uani . . . . . .
C325 C 0.6978(2) 0.60423(16) 0.5572(2) 0.0538 1.0000 Uani . . . . . .
C326 C 0.6507(2) 0.63822(14) 0.5682(2) 0.0412 1.0000 Uani . . . . . .
C411 C 0.4351(2) 0.70720(12) 0.32051(17) 0.0337 1.0000 Uani . . . . . .
C412 C 0.3687(2) 0.70034(14) 0.28157(18) 0.0411 1.0000 Uani . . . . . .
C413 C 0.3498(2) 0.72565(16) 0.2250(2) 0.0500 1.0000 Uani . . . . . .
C414 C 0.3955(2) 0.75798(15) 0.2071(2) 0.0495 1.0000 Uani . . . . . .
C415 C 0.4608(3) 0.76544(15) 0.2455(2) 0.0484 1.0000 Uani . . . . . .
C416 C 0.4811(2) 0.73984(13) 0.30131(19) 0.0406 1.0000 Uani . . . . . .
C421 C 0.5602(2) 0.67242(12) 0.39580(18) 0.0363 1.0000 Uani . . . . . .
C422 C 0.6025(2) 0.70603(14) 0.42690(18) 0.0385 1.0000 Uani . . . . . .
C423 C 0.6781(2) 0.70609(16) 0.4289(2) 0.0505 1.0000 Uani . . . . . .
C424 C 0.7115(3) 0.67207(19) 0.3999(3) 0.0687 1.0000 Uani . . . . . .
C425 C 0.6706(3) 0.63924(19) 0.3683(4) 0.0823 1.0000 Uani . . . . . .
C426 C 0.5953(3) 0.63901(16) 0.3656(3) 0.0608 1.0000 Uani . . . . . .
C511 C -0.1654(2) 0.38246(13) 0.19583(18) 0.0373 1.0000 Uani . . . . . .
C512 C -0.2385(2) 0.37535(14) 0.2029(2) 0.0448 1.0000 Uani . . . . . .
C513 C -0.2743(2) 0.33596(16) 0.1856(2) 0.0544 1.0000 Uani . . . . . .
C514 C -0.2383(3) 0.30149(17) 0.1609(3) 0.0589 1.0000 Uani . . . . . .
C515 C -0.1657(3) 0.30672(17) 0.1536(3) 0.0606 1.0000 Uani . . . . . .
C516 C -0.1308(2) 0.34643(15) 0.1697(2) 0.0499 1.0000 Uani . . . . . .
C521 C -0.0670(2) 0.43689(12) 0.15781(18) 0.0362 1.0000 Uani . . . . . .
C522 C -0.0984(2) 0.43990(15) 0.0918(2) 0.0485 1.0000 Uani . . . . . .
C523 C -0.0571(3) 0.44608(17) 0.0400(2) 0.0568 1.0000 Uani . . . . . .
C524 C 0.0174(3) 0.44880(14) 0.0521(2) 0.0534 1.0000 Uani . . . . . .
C525 C 0.0507(3) 0.44547(15) 0.1159(2) 0.0519 1.0000 Uani . . . . . .
C526 C 0.0088(2) 0.43994(14) 0.1678(2) 0.0439 1.0000 Uani . . . . . .
C531 C -0.1748(2) 0.46911(13) 0.2251(2) 0.0404 1.0000 Uani . . . . . .
C532 C -0.2159(3) 0.46991(17) 0.2781(2) 0.0562 1.0000 Uani . . . . . .
C533 C -0.2676(3) 0.50240(19) 0.2851(3) 0.0671 1.0000 Uani . . . . . .
C534 C -0.2803(3) 0.53554(18) 0.2394(3) 0.0658 1.0000 Uani . . . . . .
C535 C -0.2402(3) 0.53656(15) 0.1870(2) 0.0565 1.0000 Uani . . . . . .
C536 C -0.1891(2) 0.50389(13) 0.1803(2) 0.0460 1.0000 Uani . . . . . .
C541 C -0.0643(2) 0.41950(13) 0.28545(18) 0.0396 1.0000 Uani . . . . . .
C542 C -0.0352(2) 0.37827(15) 0.3048(2) 0.0478 1.0000 Uani . . . . . .
C543 C 0.0179(3) 0.37241(19) 0.3577(2) 0.0626 1.0000 Uani . . . . . .
C544 C 0.0447(3) 0.4073(2) 0.3948(2) 0.0709 1.0000 Uani . . . . . .
C545 C 0.0160(4) 0.4483(2) 0.3795(3) 0.0810 1.0000 Uani . . . . . .
C546 C -0.0375(3) 0.45424(17) 0.3264(3) 0.0639 1.0000 Uani . . . . . .
C611 C 0.28154(19) 0.43097(12) 0.24811(17) 0.0317 1.0000 Uani . . . . . .
C612 C 0.2089(2) 0.41746(13) 0.2445(2) 0.0405 1.0000 Uani . . . . . .
C613 C 0.1889(2) 0.37341(15) 0.2510(2) 0.0498 1.0000 Uani . . . . . .
C614 C 0.2422(2) 0.34099(14) 0.2608(2) 0.0448 1.0000 Uani . . . . . .
C615 C 0.3146(2) 0.35289(13) 0.26410(18) 0.0397 1.0000 Uani . . . . . .
C616 C 0.33325(19) 0.39705(13) 0.25825(17) 0.0344 1.0000 Uani . . . . . .
C621 C 0.2986(2) 0.48194(12) 0.15063(18) 0.0341 1.0000 Uani . . . . . .
C622 C 0.2408(2) 0.49912(13) 0.10771(19) 0.0410 1.0000 Uani . . . . . .
C623 C 0.2364(3) 0.49506(15) 0.0392(2) 0.0507 1.0000 Uani . . . . . .
C624 C 0.2903(3) 0.47350(16) 0.0113(2) 0.0550 1.0000 Uani . . . . . .
C625 C 0.3482(3) 0.45504(15) 0.0521(2) 0.0500 1.0000 Uani . . . . . .
C626 C 0.3517(2) 0.45946(13) 0.1199(2) 0.0418 1.0000 Uani . . . . . .
C631 C 0.38664(19) 0.49497(11) 0.26552(17) 0.0319 1.0000 Uani . . . . . .
C632 C 0.4103(2) 0.48502(12) 0.33196(18) 0.0374 1.0000 Uani . . . . . .
C633 C 0.4780(2) 0.49732(13) 0.3635(2) 0.0412 1.0000 Uani . . . . . .
C634 C 0.5263(2) 0.52072(13) 0.3297(2) 0.0440 1.0000 Uani . . . . . .
C635 C 0.5045(2) 0.53204(14) 0.2648(2) 0.0460 1.0000 Uani . . . . . .
C636 C 0.4359(2) 0.51951(13) 0.2337(2) 0.0396 1.0000 Uani . . . . . .
C641 C 0.2519(2) 0.51919(13) 0.26006(18) 0.0356 1.0000 Uani . . . . . .
C642 C 0.2501(2) 0.56280(13) 0.2357(2) 0.0435 1.0000 Uani . . . . . .
C643 C 0.2096(3) 0.59624(15) 0.2605(2) 0.0540 1.0000 Uani . . . . . .
C644 C 0.1702(3) 0.58777(16) 0.3119(2) 0.0573 1.0000 Uani . . . . . .
C645 C 0.1722(3) 0.54582(17) 0.3388(2) 0.0569 1.0000 Uani . . . . . .
C646 C 0.2124(2) 0.51231(15) 0.3131(2) 0.0452 1.0000 Uani . . . . . .
C711 C 0.2322(4) 0.6606(3) 0.0739(3) 0.0864 1.0000 Uani . . . . . .
C712 C 0.3028(5) 0.6375(3) 0.0991(4) 0.1210 1.0000 Uani . . . . . .
C713 C 0.2071(5) 0.6516(5) 0.0052(5) 0.2128 1.0000 Uani . . . . . .
C721 C 0.5743(4) 0.4398(2) 0.0774(3) 0.0722 1.0000 Uani . . . . . .
C722 C 0.6485(6) 0.4305(3) 0.0670(8) 0.2089 1.0000 Uani . . . . . .
C723 C 0.5664(7) 0.4821(3) 0.1047(7) 0.2197 1.0000 Uani . . . . . .
C731 C 0.0066(3) 0.58931(18) 0.1757(3) 0.0744 1.0000 Uani . . . . . .
C732 C 0.0555(5) 0.5591(3) 0.1484(4) 0.1219 1.0000 Uani . . . . . .
C733 C -0.0271(4) 0.5716(3) 0.2318(5) 0.1309 1.0000 Uani . . . . . .
C741 C -0.1194(9) 0.5703(8) 0.4259(5) 0.172(7) 0.345(10) Uiso D . P . . .
C742 C -0.16111(10) 0.6071(9) 0.42449(10) 0.215(8) 0.345(10) Uiso D . P . . .
C743 C -0.0468(12) 0.5787(11) 0.4089(6) 0.172(5) 0.345(10) Uiso D . P . . .
C750 C -0.1265(8) 0.5080(5) 0.4601(5) 0.123(4) 0.655(10) Uiso D . P . . .
C751 C -0.0896(9) 0.5480(5) 0.4365(5) 0.172(7) 0.655(10) Uiso D . P . . .
C752 C -0.1379(11) 0.5838(6) 0.4133(6) 0.215(8) 0.655(10) Uiso D . P . . .
B1 B -0.1188(2) 0.42809(14) 0.2166(2) 0.0363 1.0000 Uani . . . . . .
B2 B 0.3043(2) 0.48196(13) 0.2314(2) 0.0323 1.0000 Uani . . . . . .
H121 H 0.18022(19) 0.66413(11) 0.42217(18) 0.0404 1.0000 Uiso R . . . . .
H131 H 0.1215(2) 0.59345(13) 0.4609(2) 0.0504 1.0000 Uiso R . . . . .
H141 H 0.1216(2) 0.60157(12) 0.5860(2) 0.0486 1.0000 Uiso R . . . . .
H161 H 0.2417(2) 0.68503(12) 0.64974(17) 0.0407 1.0000 Uiso R . . . . .
H162 H 0.1734(2) 0.65677(12) 0.67151(17) 0.0407 1.0000 Uiso R . . . . .
H171 H 0.15140(19) 0.72831(11) 0.69971(17) 0.0387 1.0000 Uiso R . . . . .
H172 H 0.09562(19) 0.71917(11) 0.63256(17) 0.0387 1.0000 Uiso R . . . . .
H221 H 0.35680(18) 0.81331(12) 0.59962(17) 0.0385 1.0000 Uiso R . . . . .
H231 H 0.3862(2) 0.89277(13) 0.5691(2) 0.0493 1.0000 Uiso R . . . . .
H241 H 0.3089(2) 0.90905(12) 0.4586(2) 0.0478 1.0000 Uiso R . . . . .
H261 H 0.2226(2) 0.86676(12) 0.37960(17) 0.0405 1.0000 Uiso R . . . . .
H262 H 0.2420(2) 0.81411(12) 0.38066(17) 0.0405 1.0000 Uiso R . . . . .
H271 H 0.12592(19) 0.84959(11) 0.44590(17) 0.0393 1.0000 Uiso R . . . . .
H272 H 0.11244(19) 0.83063(11) 0.37054(17) 0.0393 1.0000 Uiso R . . . . .
H321 H 0.39502(19) 0.78083(11) 0.38623(18) 0.0405 1.0000 Uiso R . . . . .
H331 H 0.4635(2) 0.85437(12) 0.4040(2) 0.0509 1.0000 Uiso R . . . . .
H341 H 0.5409(2) 0.84884(13) 0.5170(2) 0.0505 1.0000 Uiso R . . . . .
H361 H 0.5572(2) 0.79306(12) 0.60792(18) 0.0445 1.0000 Uiso R . . . . .
H362 H 0.4830(2) 0.76422(12) 0.61037(18) 0.0445 1.0000 Uiso R . . . . .
H371 H 0.59600(19) 0.72210(12) 0.63132(18) 0.0413 1.0000 Uiso R . . . . .
H372 H 0.60598(19) 0.72970(12) 0.55386(18) 0.0413 1.0000 Uiso R . . . . .
H421 H 0.34534(19) 0.63239(12) 0.59746(18) 0.0415 1.0000 Uiso R . . . . .
H431 H 0.2986(2) 0.55301(13) 0.5761(2) 0.0546 1.0000 Uiso R . . . . .
H441 H 0.3062(2) 0.53755(13) 0.4542(2) 0.0552 1.0000 Uiso R . . . . .
H461 H 0.3221(2) 0.63422(12) 0.36752(18) 0.0465 1.0000 Uiso R . . . . .
H462 H 0.3365(2) 0.58150(12) 0.35823(18) 0.0465 1.0000 Uiso R . . . . .
H471 H 0.4652(2) 0.59633(12) 0.39155(19) 0.0459 1.0000 Uiso R . . . . .
H472 H 0.4326(2) 0.61654(12) 0.31978(19) 0.0459 1.0000 Uiso R . . . . .
H1121 H 0.3025(2) 0.73046(13) 0.70278(18) 0.0458 1.0000 Uiso R . . . . .
H1131 H 0.3858(2) 0.75613(14) 0.7927(2) 0.0516 1.0000 Uiso R . . . . .
H1141 H 0.3857(2) 0.83145(16) 0.8255(2) 0.0591 1.0000 Uiso R . . . . .
H1151 H 0.3049(3) 0.88216(15) 0.7641(2) 0.0654 1.0000 Uiso R . . . . .
H1161 H 0.2200(2) 0.85653(13) 0.6746(2) 0.0526 1.0000 Uiso R . . . . .
H1221 H 0.1659(2) 0.85666(12) 0.55303(18) 0.0479 1.0000 Uiso R . . . . .
H1231 H 0.0824(3) 0.91558(14) 0.5611(2) 0.0606 1.0000 Uiso R . . . . .
H1241 H -0.0183(3) 0.90617(16) 0.6222(2) 0.0679 1.0000 Uiso R . . . . .
H1251 H -0.0319(3) 0.83883(16) 0.6788(3) 0.0756 1.0000 Uiso R . . . . .
H1261 H 0.0518(2) 0.77968(14) 0.6718(2) 0.0593 1.0000 Uiso R . . . . .
H2121 H 0.2049(2) 0.76604(12) 0.32745(17) 0.0418 1.0000 Uiso R . . . . .
H2131 H 0.1846(2) 0.72692(13) 0.22600(18) 0.0473 1.0000 Uiso R . . . . .
H2141 H 0.0848(2) 0.67700(13) 0.20537(19) 0.0499 1.0000 Uiso R . . . . .
H2151 H 0.0034(2) 0.66852(14) 0.2858(2) 0.0558 1.0000 Uiso R . . . . .
H2161 H 0.0216(2) 0.70862(14) 0.3861(2) 0.0516 1.0000 Uiso R . . . . .
H2221 H 0.0552(2) 0.70830(14) 0.51474(19) 0.0470 1.0000 Uiso R . . . . .
H2231 H -0.0677(2) 0.70089(18) 0.5370(2) 0.0672 1.0000 Uiso R . . . . .
H2241 H -0.1527(2) 0.7582(2) 0.5079(3) 0.0804 1.0000 Uiso R . . . . .
H2251 H -0.1161(2) 0.82365(17) 0.4563(3) 0.0734 1.0000 Uiso R . . . . .
H2261 H 0.0065(2) 0.83133(14) 0.4331(2) 0.0515 1.0000 Uiso R . . . . .
H3121 H 0.4930(2) 0.72247(13) 0.68935(18) 0.0454 1.0000 Uiso R . . . . .
H3131 H 0.4732(2) 0.69735(15) 0.7958(2) 0.0554 1.0000 Uiso R . . . . .
H3141 H 0.4538(2) 0.62080(15) 0.8149(2) 0.0589 1.0000 Uiso R . . . . .
H3151 H 0.4579(2) 0.56932(15) 0.7272(2) 0.0555 1.0000 Uiso R . . . . .
H3161 H 0.4823(2) 0.59384(13) 0.62190(19) 0.0454 1.0000 Uiso R . . . . .
H3221 H 0.4969(2) 0.59244(13) 0.50121(19) 0.0475 1.0000 Uiso R . . . . .
H3231 H 0.5784(3) 0.53382(14) 0.4835(2) 0.0592 1.0000 Uiso R . . . . .
H3241 H 0.7057(3) 0.54207(15) 0.5167(2) 0.0664 1.0000 Uiso R . . . . .
H3251 H 0.7512(2) 0.60721(16) 0.5724(2) 0.0654 1.0000 Uiso R . . . . .
H3261 H 0.6704(2) 0.66565(14) 0.5912(2) 0.0496 1.0000 Uiso R . . . . .
H4121 H 0.3344(2) 0.67721(14) 0.29421(18) 0.0496 1.0000 Uiso R . . . . .
H4131 H 0.3023(2) 0.72015(16) 0.1970(2) 0.0604 1.0000 Uiso R . . . . .
H4141 H 0.3813(2) 0.77599(15) 0.1665(2) 0.0606 1.0000 Uiso R . . . . .
H4151 H 0.4939(3) 0.78935(15) 0.2333(2) 0.0590 1.0000 Uiso R . . . . .
H4161 H 0.5295(2) 0.74495(13) 0.32808(19) 0.0491 1.0000 Uiso R . . . . .
H4221 H 0.5782(2) 0.73069(14) 0.44834(18) 0.0468 1.0000 Uiso R . . . . .
H4231 H 0.7078(2) 0.73070(16) 0.4512(2) 0.0610 1.0000 Uiso R . . . . .
H4241 H 0.7658(3) 0.67141(19) 0.4020(3) 0.0845 1.0000 Uiso R . . . . .
H4251 H 0.6953(3) 0.61485(19) 0.3467(4) 0.1032 1.0000 Uiso R . . . . .
H4261 H 0.5662(3) 0.61474(16) 0.3417(3) 0.0758 1.0000 Uiso R . . . . .
H5121 H -0.2664(2) 0.39974(14) 0.2212(2) 0.0545 1.0000 Uiso R . . . . .
H5131 H -0.3270(2) 0.33273(16) 0.1913(2) 0.0663 1.0000 Uiso R . . . . .
H5141 H -0.2641(3) 0.27311(17) 0.1483(3) 0.0707 1.0000 Uiso R . . . . .
H5151 H -0.1380(3) 0.28170(17) 0.1366(3) 0.0731 1.0000 Uiso R . . . . .
H5161 H -0.0786(2) 0.34960(15) 0.1625(2) 0.0606 1.0000 Uiso R . . . . .
H5221 H -0.1526(2) 0.43753(15) 0.0815(2) 0.0584 1.0000 Uiso R . . . . .
H5231 H -0.0819(3) 0.44855(17) -0.0062(2) 0.0689 1.0000 Uiso R . . . . .
H5241 H 0.0471(3) 0.45315(14) 0.0150(2) 0.0666 1.0000 Uiso R . . . . .
H5251 H 0.1050(3) 0.44699(15) 0.1253(2) 0.0636 1.0000 Uiso R . . . . .
H5261 H 0.0343(2) 0.43810(14) 0.2139(2) 0.0529 1.0000 Uiso R . . . . .
H5321 H -0.2077(3) 0.44619(17) 0.3123(2) 0.0688 1.0000 Uiso R . . . . .
H5331 H -0.2957(3) 0.50156(19) 0.3238(3) 0.0826 1.0000 Uiso R . . . . .
H5341 H -0.3181(3) 0.55859(18) 0.2439(3) 0.0786 1.0000 Uiso R . . . . .
H5351 H -0.2480(3) 0.56089(15) 0.1537(2) 0.0667 1.0000 Uiso R . . . . .
H5361 H -0.1610(2) 0.50528(13) 0.1416(2) 0.0550 1.0000 Uiso R . . . . .
H5421 H -0.0538(2) 0.35168(15) 0.2789(2) 0.0576 1.0000 Uiso R . . . . .
H5431 H 0.0369(3) 0.34206(19) 0.3690(2) 0.0749 1.0000 Uiso R . . . . .
H5441 H 0.0843(3) 0.4032(2) 0.4324(2) 0.0834 1.0000 Uiso R . . . . .
H5451 H 0.0340(4) 0.4743(2) 0.4070(3) 0.0935 1.0000 Uiso R . . . . .
H5461 H -0.0576(3) 0.48456(17) 0.3171(3) 0.0743 1.0000 Uiso R . . . . .
H6121 H 0.1696(2) 0.44031(13) 0.2370(2) 0.0489 1.0000 Uiso R . . . . .
H6131 H 0.1362(2) 0.36519(15) 0.2486(2) 0.0610 1.0000 Uiso R . . . . .
H6141 H 0.2284(2) 0.30932(14) 0.2655(2) 0.0546 1.0000 Uiso R . . . . .
H6151 H 0.3535(2) 0.32980(13) 0.27068(18) 0.0472 1.0000 Uiso R . . . . .
H6161 H 0.38606(19) 0.40498(13) 0.26142(17) 0.0410 1.0000 Uiso R . . . . .
H6221 H 0.2009(2) 0.51500(13) 0.12676(19) 0.0489 1.0000 Uiso R . . . . .
H6231 H 0.1938(3) 0.50788(15) 0.0104(2) 0.0595 1.0000 Uiso R . . . . .
H6241 H 0.2879(3) 0.47113(16) -0.0378(2) 0.0664 1.0000 Uiso R . . . . .
H6251 H 0.3873(3) 0.43862(15) 0.0326(2) 0.0613 1.0000 Uiso R . . . . .
H6261 H 0.3939(2) 0.44600(13) 0.1483(2) 0.0506 1.0000 Uiso R . . . . .
H6321 H 0.3767(2) 0.46828(12) 0.35761(18) 0.0449 1.0000 Uiso R . . . . .
H6331 H 0.4921(2) 0.48933(13) 0.4109(2) 0.0484 1.0000 Uiso R . . . . .
H6341 H 0.5757(2) 0.52915(13) 0.3519(2) 0.0524 1.0000 Uiso R . . . . .
H6351 H 0.5381(2) 0.54933(14) 0.2398(2) 0.0561 1.0000 Uiso R . . . . .
H6361 H 0.4215(2) 0.52846(13) 0.1867(2) 0.0480 1.0000 Uiso R . . . . .
H6421 H 0.2791(2) 0.57002(13) 0.1990(2) 0.0517 1.0000 Uiso R . . . . .
H6431 H 0.2091(3) 0.62652(15) 0.2409(2) 0.0633 1.0000 Uiso R . . . . .
H6441 H 0.1405(3) 0.61159(16) 0.3295(2) 0.0675 1.0000 Uiso R . . . . .
H6451 H 0.1449(3) 0.53939(17) 0.3769(2) 0.0692 1.0000 Uiso R . . . . .
H6461 H 0.2129(2) 0.48226(15) 0.3335(2) 0.0547 1.0000 Uiso R . . . . .
H7121 H 0.3183(5) 0.6184(3) 0.0635(4) 0.1448 1.0000 Uiso R . . . . .
H7122 H 0.3414(5) 0.6600(3) 0.1125(4) 0.1448 1.0000 Uiso R . . . . .
H7123 H 0.2954(5) 0.6188(3) 0.1381(4) 0.1448 1.0000 Uiso R . . . . .
H7131 H 0.2407(5) 0.6299(5) -0.0123(5) 0.2534 1.0000 Uiso R . . . . .
H7132 H 0.2066(5) 0.6797(5) -0.0206(5) 0.2534 1.0000 Uiso R . . . . .
H7133 H 0.1568(5) 0.6390(5) 0.0011(5) 0.2534 1.0000 Uiso R . . . . .
H7221 H 0.6786(6) 0.4578(3) 0.0753(8) 0.2539 1.0000 Uiso R . . . . .
H7222 H 0.6497(6) 0.4205(3) 0.0206(8) 0.2539 1.0000 Uiso R . . . . .
H7223 H 0.6687(6) 0.4067(3) 0.0981(8) 0.2539 1.0000 Uiso R . . . . .
H7231 H 0.6130(7) 0.4990(3) 0.1052(7) 0.2820 1.0000 Uiso R . . . . .
H7232 H 0.5262(7) 0.4984(3) 0.0776(7) 0.2820 1.0000 Uiso R . . . . .
H7233 H 0.5544(7) 0.4790(3) 0.1509(7) 0.2820 1.0000 Uiso R . . . . .
H7321 H 0.0570(5) 0.5305(3) 0.1730(4) 0.1471 1.0000 Uiso R . . . . .
H7322 H 0.1055(5) 0.5722(3) 0.1525(4) 0.1471 1.0000 Uiso R . . . . .
H7323 H 0.0376(5) 0.5538(3) 0.1008(4) 0.1471 1.0000 Uiso R . . . . .
H7331 H -0.0101(4) 0.5406(3) 0.2410(5) 0.1592 1.0000 Uiso R . . . . .
H7332 H -0.0128(4) 0.5903(3) 0.2717(5) 0.1592 1.0000 Uiso R . . . . .
H7333 H -0.0814(4) 0.5719(3) 0.2208(5) 0.1592 1.0000 Uiso R . . . . .
H7421 H -0.13301(10) 0.6329(9) 0.41028(10) 0.2592 0.35 Uiso R . . . . .
H7422 H -0.17526(10) 0.6130(9) 0.46932(10) 0.2592 0.35 Uiso R . . . . .
H7423 H -0.20598(10) 0.6027(9) 0.39238(10) 0.2592 0.35 Uiso R . . . . .
H7431 H -0.0425(12) 0.6106(11) 0.3974(6) 0.2041 0.35 Uiso R . . . . .
H7432 H -0.0102(12) 0.5714(11) 0.4476(6) 0.2041 0.35 Uiso R . . . . .
H7433 H -0.0377(12) 0.5600(11) 0.3704(6) 0.2041 0.35 Uiso R . . . . .
H7501 H -0.1804(8) 0.5127(5) 0.4540(5) 0.1488 0.65 Uiso R . . . . .
H7502 H -0.1093(8) 0.5031(5) 0.5079(5) 0.1488 0.65 Uiso R . . . . .
H7503 H -0.1144(8) 0.4817(5) 0.4341(5) 0.1488 0.65 Uiso R . . . . .
H7521 H -0.1895(11) 0.5748(6) 0.4156(6) 0.2592 0.65 Uiso R . . . . .
H7522 H -0.1260(11) 0.6103(6) 0.4417(6) 0.2592 0.65 Uiso R . . . . .
H7523 H -0.1315(11) 0.5910(6) 0.3666(6) 0.2592 0.65 Uiso R . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
B 0.0013 0.0007 2.0545 23.2185 1.3326 1.0210 1.0979 60.3498 0.7068 0.1403
-0.1932 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cl 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Os -1.2165 7.6030 28.1894 1.6290 16.1550 8.9795 14.9305 0.3827 5.6759 48.1647
11.0005 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-3 -4 -1 0.042
7 3 1 0.133
0 -1 2 0.165
0 1 -3 0.308
-1 -15 -2 0.133
-1 8 1 0.213
4 -1 0 0.137
1 10 0 0.186
4 -7 -6 0.230
-8 5 -9 0.131
-2 0 3 0.177
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cl1 . Os1 . Cl2 . 78.51(2) yes
Cl1 . Os1 . P1 . 92.37(3) yes
Cl2 . Os1 . P1 . 170.72(3) yes
Cl1 . Os1 . P2 . 171.41(3) yes
Cl2 . Os1 . P2 . 92.91(3) yes
P1 . Os1 . P2 . 96.22(3) yes
Cl1 . Os1 . N11 . 87.98(8) yes
Cl2 . Os1 . N11 . 84.77(8) yes
P1 . Os1 . N11 . 93.27(8) yes
P2 . Os1 . N11 . 91.56(8) yes
Cl1 . Os1 . N21 . 87.06(8) yes
Cl2 . Os1 . N21 . 91.09(7) yes
P1 . Os1 . N21 . 90.16(7) yes
P2 . Os1 . N21 . 92.86(8) yes
N11 . Os1 . N21 . 174.09(10) yes
Cl1 . Os2 . Cl2 . 79.10(2) yes
Cl1 . Os2 . P3 . 90.00(3) yes
Cl2 . Os2 . P3 . 169.02(3) yes
Cl1 . Os2 . P4 . 172.82(3) yes
Cl2 . Os2 . P4 . 93.72(3) yes
P3 . Os2 . P4 . 97.17(3) yes
Cl1 . Os2 . N31 . 88.07(8) yes
Cl2 . Os2 . N31 . 85.07(8) yes
P3 . Os2 . N31 . 93.31(8) yes
P4 . Os2 . N31 . 91.11(8) yes
Cl1 . Os2 . N41 . 86.91(8) yes
Cl2 . Os2 . N41 . 88.27(8) yes
P3 . Os2 . N41 . 92.51(8) yes
P4 . Os2 . N41 . 93.14(8) yes
N31 . Os2 . N41 . 172.32(11) yes
Os1 . Cl1 . Os2 . 101.46(3) yes
Os1 . Cl2 . Os2 . 100.91(3) yes
Os1 . P1 . C17 . 111.57(11) yes
Os1 . P1 . C111 . 117.13(10) yes
C17 . P1 . C111 . 100.71(16) yes
Os1 . P1 . C121 . 122.27(11) yes
C17 . P1 . C121 . 103.34(16) yes
C111 . P1 . C121 . 98.81(16) yes
Os1 . P2 . C27 . 112.86(12) yes
Os1 . P2 . C211 . 116.30(11) yes
C27 . P2 . C211 . 99.99(16) yes
Os1 . P2 . C221 . 120.95(11) yes
C27 . P2 . C221 . 104.62(16) yes
C211 . P2 . C221 . 99.25(15) yes
Os2 . P3 . C37 . 111.85(12) yes
Os2 . P3 . C311 . 116.09(11) yes
C37 . P3 . C311 . 100.37(16) yes
Os2 . P3 . C321 . 122.22(11) yes
C37 . P3 . C321 . 104.09(16) yes
C311 . P3 . C321 . 99.30(15) yes
Os2 . P4 . C47 . 112.48(12) yes
Os2 . P4 . C411 . 116.33(11) yes
C47 . P4 . C411 . 101.28(17) yes
Os2 . P4 . C421 . 120.53(13) yes
C47 . P4 . C421 . 103.85(17) yes
C411 . P4 . C421 . 99.81(16) yes
Os1 . N11 . N15 . 126.8(2) yes
Os1 . N11 . C12 . 127.5(2) yes
N15 . N11 . C12 . 105.5(3) yes
N11 . N15 . C14 . 110.5(3) yes
N11 . N15 . C16 . 123.4(3) yes
C14 . N15 . C16 . 126.0(3) yes
Os1 . N21 . N25 . 127.6(2) yes
Os1 . N21 . C22 . 127.1(2) yes
N25 . N21 . C22 . 105.1(3) yes
N21 . N25 . C24 . 110.8(3) yes
N21 . N25 . C26 . 124.1(3) yes
C24 . N25 . C26 . 124.7(3) yes
Os2 . N31 . N35 . 127.3(2) yes
Os2 . N31 . C32 . 127.3(2) yes
N35 . N31 . C32 . 105.4(3) yes
N31 . N35 . C34 . 110.4(3) yes
N31 . N35 . C36 . 123.5(3) yes
C34 . N35 . C36 . 125.6(3) yes
Os2 . N41 . N45 . 126.9(2) yes
Os2 . N41 . C42 . 127.5(2) yes
N45 . N41 . C42 . 105.5(3) yes
N41 . N45 . C44 . 110.4(3) yes
N41 . N45 . C46 . 123.7(3) yes
C44 . N45 . C46 . 125.2(3) yes
N11 . C12 . C13 . 111.0(3) yes
N11 . C12 . H121 . 124.5 no
C13 . C12 . H121 . 124.5 no
C12 . C13 . C14 . 105.3(3) yes
C12 . C13 . H131 . 127.3 no
C14 . C13 . H131 . 127.3 no
C13 . C14 . N15 . 107.6(3) yes
C13 . C14 . H141 . 126.2 no
N15 . C14 . H141 . 126.2 no
N15 . C16 . C17 . 112.5(3) yes
N15 . C16 . H161 . 108.7 no
C17 . C16 . H161 . 108.7 no
N15 . C16 . H162 . 108.7 no
C17 . C16 . H162 . 108.7 no
H161 . C16 . H162 . 109.5 no
C16 . C17 . P1 . 112.2(2) yes
C16 . C17 . H171 . 108.8 no
P1 . C17 . H171 . 108.8 no
C16 . C17 . H172 . 108.8 no
P1 . C17 . H172 . 108.8 no
H171 . C17 . H172 . 109.5 no
N21 . C22 . C23 . 111.0(3) yes
N21 . C22 . H221 . 124.5 no
C23 . C22 . H221 . 124.5 no
C22 . C23 . C24 . 105.6(3) yes
C22 . C23 . H231 . 127.2 no
C24 . C23 . H231 . 127.2 no
C23 . C24 . N25 . 107.4(3) yes
C23 . C24 . H241 . 126.3 no
N25 . C24 . H241 . 126.3 no
N25 . C26 . C27 . 113.4(3) yes
N25 . C26 . H261 . 108.5 no
C27 . C26 . H261 . 108.5 no
N25 . C26 . H262 . 108.5 no
C27 . C26 . H262 . 108.5 no
H261 . C26 . H262 . 109.5 no
C26 . C27 . P2 . 112.2(2) yes
C26 . C27 . H271 . 108.8 no
P2 . C27 . H271 . 108.8 no
C26 . C27 . H272 . 108.8 no
P2 . C27 . H272 . 108.8 no
H271 . C27 . H272 . 109.5 no
N31 . C32 . C33 . 110.9(3) yes
N31 . C32 . H321 . 124.5 no
C33 . C32 . H321 . 124.5 no
C32 . C33 . C34 . 105.3(3) yes
C32 . C33 . H331 . 127.3 no
C34 . C33 . H331 . 127.3 no
C33 . C34 . N35 . 108.0(3) yes
C33 . C34 . H341 . 126.0 no
N35 . C34 . H341 . 126.0 no
N35 . C36 . C37 . 113.5(3) yes
N35 . C36 . H361 . 108.5 no
C37 . C36 . H361 . 108.5 no
N35 . C36 . H362 . 108.5 no
C37 . C36 . H362 . 108.5 no
H361 . C36 . H362 . 109.5 no
C36 . C37 . P3 . 112.1(2) yes
C36 . C37 . H371 . 108.8 no
P3 . C37 . H371 . 108.8 no
C36 . C37 . H372 . 108.8 no
P3 . C37 . H372 . 108.8 no
H371 . C37 . H372 . 109.5 no
N41 . C42 . C43 . 110.9(3) yes
N41 . C42 . H421 . 124.6 no
C43 . C42 . H421 . 124.6 no
C42 . C43 . C44 . 105.1(3) yes
C42 . C43 . H431 . 127.4 no
C44 . C43 . H431 . 127.4 no
C43 . C44 . N45 . 108.1(3) yes
C43 . C44 . H441 . 126.0 no
N45 . C44 . H441 . 126.0 no
N45 . C46 . C47 . 113.1(3) yes
N45 . C46 . H461 . 108.6 no
C47 . C46 . H461 . 108.6 no
N45 . C46 . H462 . 108.6 no
C47 . C46 . H462 . 108.6 no
H461 . C46 . H462 . 109.5 no
C46 . C47 . P4 . 112.2(3) yes
C46 . C47 . H471 . 108.8 no
P4 . C47 . H471 . 108.8 no
C46 . C47 . H472 . 108.8 no
P4 . C47 . H472 . 108.8 no
H471 . C47 . H472 . 109.5 no
P1 . C111 . C112 . 120.3(3) yes
P1 . C111 . C116 . 121.7(3) yes
C112 . C111 . C116 . 118.0(3) yes
C111 . C112 . C113 . 120.9(4) yes
C111 . C112 . H1121 . 119.6 no
C113 . C112 . H1121 . 119.6 no
C112 . C113 . C114 . 120.7(4) yes
C112 . C113 . H1131 . 119.7 no
C114 . C113 . H1131 . 119.7 no
C113 . C114 . C115 . 119.3(4) yes
C113 . C114 . H1141 . 120.4 no
C115 . C114 . H1141 . 120.4 no
C114 . C115 . C116 . 120.1(4) yes
C114 . C115 . H1151 . 119.9 no
C116 . C115 . H1151 . 119.9 no
C115 . C116 . C111 . 121.0(4) yes
C115 . C116 . H1161 . 119.5 no
C111 . C116 . H1161 . 119.5 no
P1 . C121 . C122 . 119.2(3) yes
P1 . C121 . C126 . 122.1(3) yes
C122 . C121 . C126 . 118.6(3) yes
C121 . C122 . C123 . 120.5(4) yes
C121 . C122 . H1221 . 119.7 no
C123 . C122 . H1221 . 119.7 no
C122 . C123 . C124 . 120.3(4) yes
C122 . C123 . H1231 . 119.8 no
C124 . C123 . H1231 . 119.8 no
C123 . C124 . C125 . 119.4(4) yes
C123 . C124 . H1241 . 120.3 no
C125 . C124 . H1241 . 120.3 no
C124 . C125 . C126 . 120.6(4) yes
C124 . C125 . H1251 . 119.7 no
C126 . C125 . H1251 . 119.7 no
C125 . C126 . C121 . 120.5(4) yes
C125 . C126 . H1261 . 119.7 no
C121 . C126 . H1261 . 119.7 no
P2 . C211 . C212 . 120.1(3) yes
P2 . C211 . C216 . 122.8(3) yes
C212 . C211 . C216 . 117.1(3) yes
C211 . C212 . C213 . 121.4(3) yes
C211 . C212 . H2121 . 119.3 no
C213 . C212 . H2121 . 119.3 no
C212 . C213 . C214 . 120.3(4) yes
C212 . C213 . H2131 . 119.8 no
C214 . C213 . H2131 . 119.8 no
C213 . C214 . C215 . 119.1(4) yes
C213 . C214 . H2141 . 120.5 no
C215 . C214 . H2141 . 120.5 no
C214 . C215 . C216 . 120.7(4) yes
C214 . C215 . H2151 . 119.7 no
C216 . C215 . H2151 . 119.7 no
C211 . C216 . C215 . 121.4(4) yes
C211 . C216 . H2161 . 119.3 no
C215 . C216 . H2161 . 119.3 no
P2 . C221 . C222 . 118.5(3) yes
P2 . C221 . C226 . 122.5(3) yes
C222 . C221 . C226 . 118.7(3) yes
C221 . C222 . C223 . 120.4(4) yes
C221 . C222 . H2221 . 119.8 no
C223 . C222 . H2221 . 119.8 no
C222 . C223 . C224 . 120.1(4) yes
C222 . C223 . H2231 . 120.0 no
C224 . C223 . H2231 . 120.0 no
C223 . C224 . C225 . 120.3(4) yes
C223 . C224 . H2241 . 119.8 no
C225 . C224 . H2241 . 119.8 no
C224 . C225 . C226 . 119.8(4) yes
C224 . C225 . H2251 . 120.1 no
C226 . C225 . H2251 . 120.1 no
C225 . C226 . C221 . 120.6(4) yes
C225 . C226 . H2261 . 119.7 no
C221 . C226 . H2261 . 119.7 no
P3 . C311 . C312 . 122.4(3) yes
P3 . C311 . C316 . 119.9(3) yes
C312 . C311 . C316 . 117.7(3) yes
C311 . C312 . C313 . 121.0(4) yes
C311 . C312 . H3121 . 119.5 no
C313 . C312 . H3121 . 119.5 no
C312 . C313 . C314 . 120.3(4) yes
C312 . C313 . H3131 . 119.8 no
C314 . C313 . H3131 . 119.8 no
C313 . C314 . C315 . 119.4(4) yes
C313 . C314 . H3141 . 120.3 no
C315 . C314 . H3141 . 120.3 no
C314 . C315 . C316 . 120.3(4) yes
C314 . C315 . H3151 . 119.8 no
C316 . C315 . H3151 . 119.8 no
C311 . C316 . C315 . 121.2(4) yes
C311 . C316 . H3161 . 119.4 no
C315 . C316 . H3161 . 119.4 no
P3 . C321 . C322 . 119.0(3) yes
P3 . C321 . C326 . 122.2(3) yes
C322 . C321 . C326 . 118.7(3) yes
C321 . C322 . C323 . 120.4(4) yes
C321 . C322 . H3221 . 119.8 no
C323 . C322 . H3221 . 119.8 no
C322 . C323 . C324 . 119.9(4) yes
C322 . C323 . H3231 . 120.0 no
C324 . C323 . H3231 . 120.0 no
C323 . C324 . C325 . 120.1(4) yes
C323 . C324 . H3241 . 119.9 no
C325 . C324 . H3241 . 119.9 no
C324 . C325 . C326 . 120.2(4) yes
C324 . C325 . H3251 . 119.9 no
C326 . C325 . H3251 . 119.9 no
C321 . C326 . C325 . 120.7(4) yes
C321 . C326 . H3261 . 119.7 no
C325 . C326 . H3261 . 119.7 no
P4 . C411 . C412 . 121.2(3) yes
P4 . C411 . C416 . 120.7(3) yes
C412 . C411 . C416 . 118.1(3) yes
C411 . C412 . C413 . 120.2(4) yes
C411 . C412 . H4121 . 119.9 no
C413 . C412 . H4121 . 119.9 no
C412 . C413 . C414 . 121.0(4) yes
C412 . C413 . H4131 . 119.5 no
C414 . C413 . H4131 . 119.5 no
C413 . C414 . C415 . 119.5(4) yes
C413 . C414 . H4141 . 120.3 no
C415 . C414 . H4141 . 120.2 no
C414 . C415 . C416 . 120.2(4) yes
C414 . C415 . H4151 . 119.9 no
C416 . C415 . H4151 . 119.9 no
C411 . C416 . C415 . 121.0(4) yes
C411 . C416 . H4161 . 119.5 no
C415 . C416 . H4161 . 119.5 no
P4 . C421 . C422 . 118.8(3) yes
P4 . C421 . C426 . 123.1(3) yes
C422 . C421 . C426 . 118.1(4) yes
C421 . C422 . C423 . 121.3(4) yes
C421 . C422 . H4221 . 119.4 no
C423 . C422 . H4221 . 119.4 no
C422 . C423 . C424 . 119.4(5) yes
C422 . C423 . H4231 . 120.3 no
C424 . C423 . H4231 . 120.3 no
C423 . C424 . C425 . 119.9(4) yes
C423 . C424 . H4241 . 120.0 no
C425 . C424 . H4241 . 120.0 no
C424 . C425 . C426 . 121.2(5) yes
C424 . C425 . H4251 . 119.4 no
C426 . C425 . H4251 . 119.4 no
C421 . C426 . C425 . 120.1(5) yes
C421 . C426 . H4261 . 120.0 no
C425 . C426 . H4261 . 120.0 no
C512 . C511 . C516 . 114.5(4) yes
C512 . C511 . B1 . 125.6(4) yes
C516 . C511 . B1 . 119.9(3) yes
C511 . C512 . C513 . 123.0(4) yes
C511 . C512 . H5121 . 118.5 no
C513 . C512 . H5121 . 118.5 no
C512 . C513 . C514 . 120.6(4) yes
C512 . C513 . H5131 . 119.7 no
C514 . C513 . H5131 . 119.7 no
C513 . C514 . C515 . 118.6(4) yes
C513 . C514 . H5141 . 120.7 no
C515 . C514 . H5141 . 120.7 no
C514 . C515 . C516 . 120.3(4) yes
C514 . C515 . H5151 . 119.8 no
C516 . C515 . H5151 . 119.8 no
C511 . C516 . C515 . 123.0(4) yes
C511 . C516 . H5161 . 118.5 no
C515 . C516 . H5161 . 118.5 no
C522 . C521 . C526 . 115.1(4) yes
C522 . C521 . B1 . 120.2(3) yes
C526 . C521 . B1 . 124.7(3) yes
C521 . C522 . C523 . 122.6(4) yes
C521 . C522 . H5221 . 118.7 no
C523 . C522 . H5221 . 118.7 no
C522 . C523 . C524 . 120.4(4) yes
C522 . C523 . H5231 . 119.8 no
C524 . C523 . H5231 . 119.8 no
C523 . C524 . C525 . 119.1(4) yes
C523 . C524 . H5241 . 120.4 no
C525 . C524 . H5241 . 120.4 no
C524 . C525 . C526 . 120.2(4) yes
C524 . C525 . H5251 . 119.9 no
C526 . C525 . H5251 . 119.9 no
C525 . C526 . C521 . 122.6(4) yes
C525 . C526 . H5261 . 118.7 no
C521 . C526 . H5261 . 118.7 no
C532 . C531 . C536 . 114.7(4) yes
C532 . C531 . B1 . 120.4(4) yes
C536 . C531 . B1 . 124.8(4) yes
C531 . C532 . C533 . 122.6(5) yes
C531 . C532 . H5321 . 118.7 no
C533 . C532 . H5321 . 118.7 no
C532 . C533 . C534 . 120.5(5) yes
C532 . C533 . H5331 . 119.8 no
C534 . C533 . H5331 . 119.8 no
C533 . C534 . C535 . 118.9(5) yes
C533 . C534 . H5341 . 120.5 no
C535 . C534 . H5341 . 120.5 no
C534 . C535 . C536 . 120.1(5) yes
C534 . C535 . H5351 . 120.0 no
C536 . C535 . H5351 . 120.0 no
C531 . C536 . C535 . 123.2(4) yes
C531 . C536 . H5361 . 118.4 no
C535 . C536 . H5361 . 118.4 no
C542 . C541 . C546 . 114.1(4) yes
C542 . C541 . B1 . 123.8(4) yes
C546 . C541 . B1 . 121.8(4) yes
C541 . C542 . C543 . 123.2(5) yes
C541 . C542 . H5421 . 118.4 no
C543 . C542 . H5421 . 118.4 no
C542 . C543 . C544 . 120.8(5) yes
C542 . C543 . H5431 . 119.6 no
C544 . C543 . H5431 . 119.6 no
C543 . C544 . C545 . 118.3(5) yes
C543 . C544 . H5441 . 120.9 no
C545 . C544 . H5441 . 120.9 no
C544 . C545 . C546 . 121.0(5) yes
C544 . C545 . H5451 . 119.5 no
C546 . C545 . H5451 . 119.5 no
C541 . C546 . C545 . 122.5(5) yes
C541 . C546 . H5461 . 118.8 no
C545 . C546 . H5461 . 118.8 no
C612 . C611 . C616 . 115.3(3) yes
C612 . C611 . B2 . 122.2(3) yes
C616 . C611 . B2 . 122.0(3) yes
C611 . C612 . C613 . 122.7(4) yes
C611 . C612 . H6121 . 118.7 no
C613 . C612 . H6121 . 118.7 no
C612 . C613 . C614 . 119.8(4) yes
C612 . C613 . H6131 . 120.1 no
C614 . C613 . H6131 . 120.1 no
C613 . C614 . C615 . 119.4(4) yes
C613 . C614 . H6141 . 120.3 no
C615 . C614 . H6141 . 120.3 no
C614 . C615 . C616 . 119.8(4) yes
C614 . C615 . H6151 . 120.1 no
C616 . C615 . H6151 . 120.1 no
C611 . C616 . C615 . 123.0(3) yes
C611 . C616 . H6161 . 118.5 no
C615 . C616 . H6161 . 118.5 no
C622 . C621 . C626 . 115.0(3) yes
C622 . C621 . B2 . 125.4(3) yes
C626 . C621 . B2 . 119.3(3) yes
C621 . C622 . C623 . 122.7(4) yes
C621 . C622 . H6221 . 118.6 no
C623 . C622 . H6221 . 118.6 no
C622 . C623 . C624 . 120.2(4) yes
C622 . C623 . H6231 . 119.9 no
C624 . C623 . H6231 . 119.9 no
C623 . C624 . C625 . 119.1(4) yes
C623 . C624 . H6241 . 120.4 no
C625 . C624 . H6241 . 120.4 no
C624 . C625 . C626 . 119.7(4) yes
C624 . C625 . H6251 . 120.1 no
C626 . C625 . H6251 . 120.1 no
C621 . C626 . C625 . 123.2(4) yes
C621 . C626 . H6261 . 118.4 no
C625 . C626 . H6261 . 118.4 no
C632 . C631 . C636 . 114.9(3) yes
C632 . C631 . B2 . 121.2(3) yes
C636 . C631 . B2 . 123.7(3) yes
C631 . C632 . C633 . 123.1(4) yes
C631 . C632 . H6321 . 118.5 no
C633 . C632 . H6321 . 118.5 no
C632 . C633 . C634 . 120.3(4) yes
C632 . C633 . H6331 . 119.8 no
C634 . C633 . H6331 . 119.8 no
C633 . C634 . C635 . 118.4(4) yes
C633 . C634 . H6341 . 120.8 no
C635 . C634 . H6341 . 120.8 no
C634 . C635 . C636 . 120.5(4) yes
C634 . C635 . H6351 . 119.7 no
C636 . C635 . H6351 . 119.7 no
C631 . C636 . C635 . 122.7(4) yes
C631 . C636 . H6361 . 118.7 no
C635 . C636 . H6361 . 118.7 no
C642 . C641 . C646 . 114.9(4) yes
C642 . C641 . B2 . 120.4(3) yes
C646 . C641 . B2 . 124.4(3) yes
C641 . C642 . C643 . 122.9(4) yes
C641 . C642 . H6421 . 118.6 no
C643 . C642 . H6421 . 118.6 no
C642 . C643 . C644 . 120.2(4) yes
C642 . C643 . H6431 . 119.9 no
C644 . C643 . H6431 . 119.9 no
C643 . C644 . C645 . 119.0(4) yes
C643 . C644 . H6441 . 120.5 no
C645 . C644 . H6441 . 120.5 no
C644 . C645 . C646 . 120.4(4) yes
C644 . C645 . H6451 . 119.8 no
C646 . C645 . H6451 . 119.8 no
C645 . C646 . C641 . 122.6(4) yes
C645 . C646 . H6461 . 118.7 no
C641 . C646 . H6461 . 118.7 no
O710 . C711 . C712 . 122.9(7) yes
O710 . C711 . C713 . 123.4(8) yes
C712 . C711 . C713 . 113.6(8) yes
C711 . C712 . H7121 . 109.5 no
C711 . C712 . H7122 . 109.5 no
H7121 . C712 . H7122 . 109.5 no
C711 . C712 . H7123 . 109.5 no
H7121 . C712 . H7123 . 109.5 no
H7122 . C712 . H7123 . 109.5 no
C711 . C713 . H7131 . 109.5 no
C711 . C713 . H7132 . 109.5 no
H7131 . C713 . H7132 . 109.5 no
C711 . C713 . H7133 . 109.5 no
H7131 . C713 . H7133 . 109.5 no
H7132 . C713 . H7133 . 109.5 no
O720 . C721 . C722 . 122.4(7) yes
O720 . C721 . C723 . 124.4(7) yes
C722 . C721 . C723 . 112.5(8) yes
C721 . C722 . H7221 . 109.5 no
C721 . C722 . H7222 . 109.4 no
H7221 . C722 . H7222 . 109.5 no
C721 . C722 . H7223 . 109.5 no
H7221 . C722 . H7223 . 109.5 no
H7222 . C722 . H7223 . 109.5 no
C721 . C723 . H7231 . 109.5 no
C721 . C723 . H7232 . 109.5 no
H7231 . C723 . H7232 . 109.5 no
C721 . C723 . H7233 . 109.5 no
H7231 . C723 . H7233 . 109.5 no
H7232 . C723 . H7233 . 109.5 no
O730 . C731 . C732 . 124.4(9) yes
O730 . C731 . C733 . 121.0(8) yes
C732 . C731 . C733 . 114.7(7) yes
C731 . C732 . H7321 . 109.5 no
C731 . C732 . H7322 . 109.5 no
H7321 . C732 . H7322 . 109.5 no
C731 . C732 . H7323 . 109.5 no
H7321 . C732 . H7323 . 109.5 no
H7322 . C732 . H7323 . 109.5 no
C731 . C733 . H7331 . 109.5 no
C731 . C733 . H7332 . 109.5 no
H7331 . C733 . H7332 . 109.5 no
C731 . C733 . H7333 . 109.5 no
H7331 . C733 . H7333 . 109.5 no
H7332 . C733 . H7333 . 109.5 no
O740 . C741 . C742 . 119.9(14) yes
O740 . C741 . C743 . 127.0(14) yes
C742 . C741 . C743 . 113.1(13) yes
C741 . C742 . H7421 . 109.4 no
C741 . C742 . H7422 . 109.9 no
H7421 . C742 . H7422 . 109.5 no
C741 . C742 . H7423 . 109.0 no
H7421 . C742 . H7423 . 109.5 no
H7422 . C742 . H7423 . 109.5 no
C741 . C743 . H7431 . 109.3 no
C741 . C743 . H7432 . 109.1 no
H7431 . C743 . H7432 . 109.5 no
C741 . C743 . H7433 . 110.1 no
H7431 . C743 . H7433 . 109.5 no
H7432 . C743 . H7433 . 109.5 no
C751 . C750 . H7501 . 109.4 no
C751 . C750 . H7502 . 109.5 no
H7501 . C750 . H7502 . 109.5 no
C751 . C750 . H7503 . 109.4 no
H7501 . C750 . H7503 . 109.5 no
H7502 . C750 . H7503 . 109.5 no
C750 . C751 . O753 . 122.9(12) yes
C750 . C751 . C752 . 115.0(12) yes
O753 . C751 . C752 . 122.1(12) yes
C751 . C752 . H7521 . 109.6 no
C751 . C752 . H7522 . 109.2 no
H7521 . C752 . H7522 . 109.5 no
C751 . C752 . H7523 . 109.6 no
H7521 . C752 . H7523 . 109.5 no
H7522 . C752 . H7523 . 109.5 no
C511 . B1 . C521 . 106.2(3) yes
C511 . B1 . C541 . 109.3(3) yes
C521 . B1 . C541 . 107.4(3) yes
C511 . B1 . C531 . 110.1(3) yes
C521 . B1 . C531 . 112.8(3) yes
C541 . B1 . C531 . 110.9(3) yes
C611 . B2 . C641 . 113.1(3) yes
C611 . B2 . C621 . 102.8(3) yes
C641 . B2 . C621 . 113.2(3) yes
C611 . B2 . C631 . 112.6(3) yes
C641 . B2 . C631 . 104.0(3) yes
C621 . B2 . C631 . 111.4(3) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Os1 . Cl1 . 2.4875(8) yes
Os1 . Cl2 . 2.5066(7) yes
Os1 . P1 . 2.2805(8) yes
Os1 . P2 . 2.2757(8) yes
Os1 . N11 . 2.114(3) yes
Os1 . N21 . 2.118(3) yes
Os2 . Cl1 . 2.4810(8) yes
Os2 . Cl2 . 2.4816(8) yes
Os2 . P3 . 2.2841(8) yes
Os2 . P4 . 2.2772(8) yes
Os2 . N31 . 2.110(3) yes
Os2 . N41 . 2.124(3) yes
P1 . C17 . 1.845(3) yes
P1 . C111 . 1.862(4) yes
P1 . C121 . 1.831(4) yes
P2 . C27 . 1.841(3) yes
P2 . C211 . 1.859(3) yes
P2 . C221 . 1.832(3) yes
P3 . C37 . 1.844(4) yes
P3 . C311 . 1.856(3) yes
P3 . C321 . 1.839(4) yes
P4 . C47 . 1.838(4) yes
P4 . C411 . 1.857(4) yes
P4 . C421 . 1.825(4) yes
O710 . C711 . 1.189(8) yes
O720 . C721 . 1.201(7) yes
O730 . C731 . 1.186(7) yes
O740 . C741 . 1.242(17) yes
O753 . C751 . 1.228(14) yes
N11 . N15 . 1.365(4) yes
N11 . C12 . 1.338(4) yes
N15 . C14 . 1.359(4) yes
N15 . C16 . 1.448(4) yes
N21 . N25 . 1.366(4) yes
N21 . C22 . 1.340(4) yes
N25 . C24 . 1.352(4) yes
N25 . C26 . 1.452(4) yes
N31 . N35 . 1.367(4) yes
N31 . C32 . 1.346(4) yes
N35 . C34 . 1.355(5) yes
N35 . C36 . 1.450(5) yes
N41 . N45 . 1.362(4) yes
N41 . C42 . 1.334(4) yes
N45 . C44 . 1.351(5) yes
N45 . C46 . 1.452(5) yes
C12 . C13 . 1.396(5) yes
C12 . H121 . 1.000 no
C13 . C14 . 1.370(6) yes
C13 . H131 . 1.000 no
C14 . H141 . 1.000 no
C16 . C17 . 1.526(5) yes
C16 . H161 . 1.000 no
C16 . H162 . 1.000 no
C17 . H171 . 1.000 no
C17 . H172 . 1.000 no
C22 . C23 . 1.389(5) yes
C22 . H221 . 1.000 no
C23 . C24 . 1.369(6) yes
C23 . H231 . 1.000 no
C24 . H241 . 1.000 no
C26 . C27 . 1.528(5) yes
C26 . H261 . 1.000 no
C26 . H262 . 1.000 no
C27 . H271 . 1.000 no
C27 . H272 . 1.000 no
C32 . C33 . 1.391(5) yes
C32 . H321 . 1.000 no
C33 . C34 . 1.371(6) yes
C33 . H331 . 1.000 no
C34 . H341 . 1.000 no
C36 . C37 . 1.531(5) yes
C36 . H361 . 1.000 no
C36 . H362 . 1.000 no
C37 . H371 . 1.000 no
C37 . H372 . 1.000 no
C42 . C43 . 1.397(5) yes
C42 . H421 . 1.000 no
C43 . C44 . 1.362(6) yes
C43 . H431 . 1.000 no
C44 . H441 . 1.000 no
C46 . C47 . 1.523(5) yes
C46 . H461 . 1.000 no
C46 . H462 . 1.000 no
C47 . H471 . 1.000 no
C47 . H472 . 1.000 no
C111 . C112 . 1.390(5) yes
C111 . C116 . 1.389(5) yes
C112 . C113 . 1.388(5) yes
C112 . H1121 . 1.000 no
C113 . C114 . 1.376(6) yes
C113 . H1131 . 1.000 no
C114 . C115 . 1.381(7) yes
C114 . H1141 . 1.000 no
C115 . C116 . 1.393(6) yes
C115 . H1151 . 1.000 no
C116 . H1161 . 1.000 no
C121 . C122 . 1.397(5) yes
C121 . C126 . 1.385(5) yes
C122 . C123 . 1.385(5) yes
C122 . H1221 . 1.000 no
C123 . C124 . 1.385(6) yes
C123 . H1231 . 1.000 no
C124 . C125 . 1.373(7) yes
C124 . H1241 . 1.000 no
C125 . C126 . 1.391(6) yes
C125 . H1251 . 1.000 no
C126 . H1261 . 1.000 no
C211 . C212 . 1.397(5) yes
C211 . C216 . 1.387(5) yes
C212 . C213 . 1.389(5) yes
C212 . H2121 . 1.000 no
C213 . C214 . 1.376(6) yes
C213 . H2131 . 1.000 no
C214 . C215 . 1.378(6) yes
C214 . H2141 . 1.000 no
C215 . C216 . 1.386(6) yes
C215 . H2151 . 1.000 no
C216 . H2161 . 1.000 no
C221 . C222 . 1.399(5) yes
C221 . C226 . 1.385(5) yes
C222 . C223 . 1.387(5) yes
C222 . H2221 . 1.000 no
C223 . C224 . 1.370(7) yes
C223 . H2231 . 1.000 no
C224 . C225 . 1.383(7) yes
C224 . H2241 . 1.000 no
C225 . C226 . 1.389(6) yes
C225 . H2251 . 1.000 no
C226 . H2261 . 1.000 no
C311 . C312 . 1.394(5) yes
C311 . C316 . 1.392(5) yes
C312 . C313 . 1.387(5) yes
C312 . H3121 . 1.000 no
C313 . C314 . 1.382(6) yes
C313 . H3131 . 1.000 no
C314 . C315 . 1.380(6) yes
C314 . H3141 . 1.000 no
C315 . C316 . 1.385(5) yes
C315 . H3151 . 1.000 no
C316 . H3161 . 1.000 no
C321 . C322 . 1.400(5) yes
C321 . C326 . 1.386(5) yes
C322 . C323 . 1.388(5) yes
C322 . H3221 . 1.000 no
C323 . C324 . 1.380(7) yes
C323 . H3231 . 1.000 no
C324 . C325 . 1.379(7) yes
C324 . H3241 . 1.000 no
C325 . C326 . 1.385(6) yes
C325 . H3251 . 1.000 no
C326 . H3261 . 1.000 no
C411 . C412 . 1.392(5) yes
C411 . C416 . 1.392(5) yes
C412 . C413 . 1.394(6) yes
C412 . H4121 . 1.000 no
C413 . C414 . 1.371(6) yes
C413 . H4131 . 1.000 no
C414 . C415 . 1.374(7) yes
C414 . H4141 . 1.000 no
C415 . C416 . 1.391(6) yes
C415 . H4151 . 1.000 no
C416 . H4161 . 1.000 no
C421 . C422 . 1.387(6) yes
C421 . C426 . 1.388(5) yes
C422 . C423 . 1.394(5) yes
C422 . H4221 . 1.000 no
C423 . C424 . 1.373(7) yes
C423 . H4231 . 1.000 no
C424 . C425 . 1.361(8) yes
C424 . H4241 . 1.000 no
C425 . C426 . 1.388(7) yes
C425 . H4251 . 1.000 no
C426 . H4261 . 1.000 no
C511 . C512 . 1.394(5) yes
C511 . C516 . 1.404(5) yes
C511 . B1 . 1.655(6) yes
C512 . C513 . 1.388(6) yes
C512 . H5121 . 1.000 no
C513 . C514 . 1.369(7) yes
C513 . H5131 . 1.000 no
C514 . C515 . 1.379(7) yes
C514 . H5141 . 1.000 no
C515 . C516 . 1.384(6) yes
C515 . H5151 . 1.000 no
C516 . H5161 . 1.000 no
C521 . C522 . 1.402(5) yes
C521 . C526 . 1.395(5) yes
C521 . B1 . 1.650(5) yes
C522 . C523 . 1.394(6) yes
C522 . H5221 . 1.000 no
C523 . C524 . 1.372(7) yes
C523 . H5231 . 1.000 no
C524 . C525 . 1.373(7) yes
C524 . H5241 . 1.000 no
C525 . C526 . 1.400(6) yes
C525 . H5251 . 1.000 no
C526 . H5261 . 1.000 no
C531 . C532 . 1.399(6) yes
C531 . C536 . 1.397(6) yes
C531 . B1 . 1.640(6) yes
C532 . C533 . 1.393(7) yes
C532 . H5321 . 1.000 no
C533 . C534 . 1.371(8) yes
C533 . H5331 . 1.000 no
C534 . C535 . 1.378(7) yes
C534 . H5341 . 1.000 no
C535 . C536 . 1.387(6) yes
C535 . H5351 . 1.000 no
C536 . H5361 . 1.000 no
C541 . C542 . 1.396(6) yes
C541 . C546 . 1.396(6) yes
C541 . B1 . 1.645(6) yes
C542 . C543 . 1.378(6) yes
C542 . H5421 . 1.000 no
C543 . C544 . 1.358(8) yes
C543 . H5431 . 1.000 no
C544 . C545 . 1.370(8) yes
C544 . H5441 . 1.000 no
C545 . C546 . 1.384(7) yes
C545 . H5451 . 1.000 no
C546 . H5461 . 1.000 no
C611 . C612 . 1.398(5) yes
C611 . C616 . 1.401(5) yes
C611 . B2 . 1.647(5) yes
C612 . C613 . 1.395(6) yes
C612 . H6121 . 1.000 no
C613 . C614 . 1.389(6) yes
C613 . H6131 . 1.000 no
C614 . C615 . 1.379(6) yes
C614 . H6141 . 1.000 no
C615 . C616 . 1.390(5) yes
C615 . H6151 . 1.000 no
C616 . H6161 . 1.000 no
C621 . C622 . 1.395(5) yes
C621 . C626 . 1.406(5) yes
C621 . B2 . 1.641(5) yes
C622 . C623 . 1.398(6) yes
C622 . H6221 . 1.000 no
C623 . C624 . 1.375(7) yes
C623 . H6231 . 1.000 no
C624 . C625 . 1.389(7) yes
C624 . H6241 . 1.000 no
C625 . C626 . 1.386(6) yes
C625 . H6251 . 1.000 no
C626 . H6261 . 1.000 no
C631 . C632 . 1.406(5) yes
C631 . C636 . 1.399(5) yes
C631 . B2 . 1.640(5) yes
C632 . C633 . 1.384(5) yes
C632 . H6321 . 1.000 no
C633 . C634 . 1.391(6) yes
C633 . H6331 . 1.000 no
C634 . C635 . 1.381(6) yes
C634 . H6341 . 1.000 no
C635 . C636 . 1.398(6) yes
C635 . H6351 . 1.000 no
C636 . H6361 . 1.000 no
C641 . C642 . 1.410(5) yes
C641 . C646 . 1.397(5) yes
C641 . B2 . 1.641(5) yes
C642 . C643 . 1.392(6) yes
C642 . H6421 . 1.000 no
C643 . C644 . 1.376(7) yes
C643 . H6431 . 1.000 no
C644 . C645 . 1.382(7) yes
C644 . H6441 . 1.000 no
C645 . C646 . 1.399(6) yes
C645 . H6451 . 1.000 no
C646 . H6461 . 1.000 no
C711 . C712 . 1.514(10) yes
C711 . C713 . 1.447(10) yes
C712 . H7121 . 1.000 no
C712 . H7122 . 1.000 no
C712 . H7123 . 1.000 no
C713 . H7131 . 1.000 no
C713 . H7132 . 1.000 no
C713 . H7133 . 1.000 no
C721 . C722 . 1.442(11) yes
C721 . C723 . 1.413(10) yes
C722 . H7221 . 1.000 no
C722 . H7222 . 1.000 no
C722 . H7223 . 1.000 no
C723 . H7231 . 1.000 no
C723 . H7232 . 1.000 no
C723 . H7233 . 1.000 no
C731 . C732 . 1.446(9) yes
C731 . C733 . 1.473(11) yes
C732 . H7321 . 1.000 no
C732 . H7322 . 1.000 no
C732 . H7323 . 1.000 no
C733 . H7331 . 1.000 no
C733 . H7332 . 1.000 no
C733 . H7333 . 1.000 no
C741 . C742 . 1.355(18) yes
C741 . C743 . 1.450(18) yes
C742 . H7421 . 1.000 no
C742 . H7422 . 1.000 no
C742 . H7423 . 1.000 no
C743 . H7431 . 1.000 no
C743 . H7432 . 1.000 no
C743 . H7433 . 1.000 no
C750 . C751 . 1.499(14) yes
C750 . H7501 . 1.000 no
C750 . H7502 . 1.000 no
C750 . H7503 . 1.000 no
C751 . C752 . 1.445(16) yes
C752 . H7521 . 1.000 no
C752 . H7522 . 1.000 no
C752 . H7523 . 1.000 no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
O710 C36 3.520(7) . 4_464 no
O710 C213 3.566(8) . . no
O720 C226 3.333(6) . 3_545 no
O720 C314 3.492(7) . 2_666 no
O720 C625 3.531(8) . . no
O720 C123 3.558(7) . 3_545 no
O730 C214 3.198(7) . . no
O730 C23 3.286(7) . 4_464 no
O730 C215 3.445(7) . . no
O730 C36 3.565(6) . 4_464 no
O753 C545 3.44(1) . . no
C24 C624 3.360(6) . 3 no
C24 C623 3.574(6) . 3 no
C26 C615 3.475(5) . 3 no
C26 C614 3.545(5) . 3 no
C36 C214 3.566(5) . 4_565 no
C46 C643 3.444(6) . . no
C46 C644 3.582(6) . . no
C47 C634 3.587(5) . . no
C112 C514 3.501(7) . 2_566 no
C113 C514 3.590(7) . 2_566 no
C114 C742 3.59(2) . 4_565 no
C114 C215 3.594(5) . 4_565 no
C316 C633 3.552(6) . 2_666 no
C326 C615 3.417(5) . 2_666 no
C423 C515 3.475(7) . 3 no
C424 C742 3.06(2) . 1_655 no
C425 C742 3.32(1) . 1_655 no
C515 C713 3.48(1) . 2_565 no
C525 C732 3.50(1) . . no
C624 C722 3.57(1) . 2_665 no
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Os1 Cl1 Os2 Cl2 . . . . -1.19(3) no
Os1 Cl1 Os2 P3 . . . . 177.46(3) no
Os1 Cl1 Os2 N31 . . . . 84.15(8) no
Os1 Cl1 Os2 N41 . . . . -90.03(8) no
Os1 Cl2 Os2 Cl1 . . . . 1.18(3) no
Os1 Cl2 Os2 P3 . . . . -5.9(2) no
Os1 Cl2 Os2 P4 . . . . -178.60(3) no
Os1 Cl2 Os2 N31 . . . . -87.79(8) no
Os1 Cl2 Os2 N41 . . . . 88.37(8) no
Os1 P1 C17 C16 . . . . 32.2(3) no
Os1 P1 C111 C112 . . . . -71.2(3) no
Os1 P1 C111 C116 . . . . 109.8(3) no
Os1 P1 C121 C122 . . . . -47.3(3) no
Os1 P1 C121 C126 . . . . 137.9(3) no
Os1 P2 C27 C26 . . . . 33.7(3) no
Os1 P2 C211 C212 . . . . -70.5(3) no
Os1 P2 C211 C216 . . . . 109.9(3) no
Os1 P2 C221 C222 . . . . -47.0(3) no
Os1 P2 C221 C226 . . . . 139.3(3) no
Os1 N11 N15 C14 . . . . 173.9(2) no
Os1 N11 N15 C16 . . . . -10.4(4) no
Os1 N11 C12 C13 . . . . -174.0(2) no
Os1 N21 N25 C24 . . . . 175.3(2) no
Os1 N21 N25 C26 . . . . -11.1(5) no
Os1 N21 C22 C23 . . . . -174.6(3) no
Os2 Cl1 Os1 Cl2 . . . . 1.19(3) no
Os2 Cl1 Os1 P1 . . . . 179.44(3) no
Os2 Cl1 Os1 N11 . . . . 86.25(8) no
Os2 Cl1 Os1 N21 . . . . -90.52(8) no
Os2 Cl2 Os1 Cl1 . . . . -1.18(3) no
Os2 Cl2 Os1 P2 . . . . 178.51(3) no
Os2 Cl2 Os1 N11 . . . . -90.18(8) no
Os2 Cl2 Os1 N21 . . . . 85.59(7) no
Os2 P3 C37 C36 . . . . 32.9(3) no
Os2 P3 C311 C312 . . . . -90.2(3) no
Os2 P3 C311 C316 . . . . 90.4(3) no
Os2 P3 C321 C322 . . . . -39.3(3) no
Os2 P3 C321 C326 . . . . 143.2(3) no
Os2 P4 C47 C46 . . . . 32.4(3) no
Os2 P4 C411 C412 . . . . -80.7(3) no
Os2 P4 C411 C416 . . . . 98.9(3) no
Os2 P4 C421 C422 . . . . -40.0(3) no
Os2 P4 C421 C426 . . . . 140.1(4) no
Os2 N31 N35 C34 . . . . 178.8(3) no
Os2 N31 N35 C36 . . . . -9.2(5) no
Os2 N31 C32 C33 . . . . -178.0(3) no
Os2 N41 N45 C44 . . . . 176.1(2) no
Os2 N41 N45 C46 . . . . -13.0(4) no
Os2 N41 C42 C43 . . . . -175.4(2) no
Cl1 Os1 P1 C17 . . . . -81.1(1) no
Cl1 Os1 P1 C111 . . . . 34.2(1) no
Cl1 Os1 P1 C121 . . . . 156.0(1) no
Cl1 Os1 N11 N15 . . . . 71.3(2) no
Cl1 Os1 N11 C12 . . . . -115.0(3) no
Cl1 Os1 N21 N25 . . . . 153.5(3) no
Cl1 Os1 N21 C22 . . . . -32.2(3) no
Cl1 Os2 P3 C37 . . . . -82.4(1) no
Cl1 Os2 P3 C311 . . . . 32.0(1) no
Cl1 Os2 P3 C321 . . . . 153.4(1) no
Cl1 Os2 N31 N35 . . . . 69.5(3) no
Cl1 Os2 N31 C32 . . . . -112.3(3) no
Cl1 Os2 N41 N45 . . . . 154.9(3) no
Cl1 Os2 N41 C42 . . . . -29.5(3) no
Cl2 Os1 P2 C27 . . . . -87.2(1) no
Cl2 Os1 P2 C211 . . . . 27.5(1) no
Cl2 Os1 P2 C221 . . . . 147.9(1) no
Cl2 Os1 N11 N15 . . . . 150.0(3) no
Cl2 Os1 N11 C12 . . . . -36.3(3) no
Cl2 Os1 N21 N25 . . . . 75.1(3) no
Cl2 Os1 N21 C22 . . . . -110.7(3) no
Cl2 Os2 P3 C37 . . . . -75.4(2) no
Cl2 Os2 P3 C311 . . . . 38.9(2) no
Cl2 Os2 P3 C321 . . . . 160.3(2) no
Cl2 Os2 P4 C47 . . . . -83.0(1) no
Cl2 Os2 P4 C411 . . . . 33.1(1) no
Cl2 Os2 P4 C421 . . . . 153.9(1) no
Cl2 Os2 N31 N35 . . . . 148.7(3) no
Cl2 Os2 N31 C32 . . . . -33.0(3) no
Cl2 Os2 N41 N45 . . . . 75.8(3) no
Cl2 Os2 N41 C42 . . . . -108.6(3) no
P1 Os1 P2 C27 . . . . 94.5(1) no
P1 Os1 P2 C211 . . . . -150.8(1) no
P1 Os1 P2 C221 . . . . -30.4(1) no
P1 Os1 N11 N15 . . . . -20.9(3) no
P1 Os1 N11 C12 . . . . 152.8(3) no
P1 Os1 N21 N25 . . . . -114.1(3) no
P1 Os1 N21 C22 . . . . 60.1(3) no
P1 C17 C16 N15 . . . . -73.3(3) no
P1 C111 C112 C113 . . . . -178.5(3) no
P1 C111 C116 C115 . . . . 178.9(3) no
P1 C121 C122 C123 . . . . -174.6(3) no
P1 C121 C126 C125 . . . . 174.7(3) no
P2 Os1 P1 C17 . . . . 99.0(1) no
P2 Os1 P1 C111 . . . . -145.8(1) no
P2 Os1 P1 C121 . . . . -23.9(1) no
P2 Os1 N11 N15 . . . . -117.3(2) no
P2 Os1 N11 C12 . . . . 56.5(3) no
P2 Os1 N21 N25 . . . . -17.9(3) no
P2 Os1 N21 C22 . . . . 156.4(3) no
P2 C27 C26 N25 . . . . -71.1(3) no
P2 C211 C212 C213 . . . . 179.5(3) no
P2 C211 C216 C215 . . . . -178.8(3) no
P2 C221 C222 C223 . . . . -173.1(3) no
P2 C221 C226 C225 . . . . 173.0(4) no
P3 Os2 P4 C47 . . . . 98.4(1) no
P3 Os2 P4 C411 . . . . -145.5(1) no
P3 Os2 P4 C421 . . . . -24.7(1) no
P3 Os2 N31 N35 . . . . -20.4(3) no
P3 Os2 N31 C32 . . . . 157.8(3) no
P3 Os2 N41 N45 . . . . -115.2(3) no
P3 Os2 N41 C42 . . . . 60.4(3) no
P3 C37 C36 N35 . . . . -72.3(4) no
P3 C311 C312 C313 . . . . -177.5(3) no
P3 C311 C316 C315 . . . . 178.7(3) no
P3 C321 C322 C323 . . . . -178.0(3) no
P3 C321 C326 C325 . . . . 178.3(3) no
P4 Os2 P3 C37 . . . . 97.3(1) no
P4 Os2 P3 C311 . . . . -148.4(1) no
P4 Os2 P3 C321 . . . . -27.0(1) no
P4 Os2 N31 N35 . . . . -117.6(3) no
P4 Os2 N31 C32 . . . . 60.6(3) no
P4 Os2 N41 N45 . . . . -17.9(3) no
P4 Os2 N41 C42 . . . . 157.7(3) no
P4 C47 C46 N45 . . . . -72.0(3) no
P4 C411 C412 C413 . . . . 179.8(3) no
P4 C411 C416 C415 . . . . -178.5(3) no
P4 C421 C422 C423 . . . . 179.1(3) no
P4 C421 C426 C425 . . . . -178.6(5) no
N11 Os1 P1 C17 . . . . 7.0(1) no
N11 Os1 P1 C111 . . . . 122.3(1) no
N11 Os1 P1 C121 . . . . -115.9(2) no
N11 Os1 P2 C27 . . . . -172.1(2) no
N11 Os1 P2 C211 . . . . -57.3(1) no
N11 Os1 P2 C221 . . . . 63.0(2) no
N11 N15 C14 C13 . . . . 0.6(4) no
N11 N15 C16 C17 . . . . 65.4(4) no
N11 C12 C13 C14 . . . . -0.4(4) no
N15 N11 C12 C13 . . . . 0.8(4) no
N15 C14 C13 C12 . . . . -0.1(4) no
N21 Os1 P1 C17 . . . . -168.1(1) no
N21 Os1 P1 C111 . . . . -52.9(1) no
N21 Os1 P1 C121 . . . . 69.0(2) no
N21 Os1 P2 C27 . . . . 4.0(1) no
N21 Os1 P2 C211 . . . . 118.8(1) no
N21 Os1 P2 C221 . . . . -120.9(2) no
N21 N25 C24 C23 . . . . -0.7(4) no
N21 N25 C26 C27 . . . . 62.9(4) no
N21 C22 C23 C24 . . . . -1.0(4) no
N25 N21 C22 C23 . . . . 0.6(4) no
N25 C24 C23 C22 . . . . 1.0(4) no
N31 Os2 P3 C37 . . . . 5.7(2) no
N31 Os2 P3 C311 . . . . 120.1(2) no
N31 Os2 P3 C321 . . . . -118.5(2) no
N31 Os2 P4 C47 . . . . -168.2(1) no
N31 Os2 P4 C411 . . . . -52.0(1) no
N31 Os2 P4 C421 . . . . 68.8(2) no
N31 N35 C34 C33 . . . . -0.9(4) no
N31 N35 C36 C37 . . . . 63.3(4) no
N31 C32 C33 C34 . . . . -1.0(4) no
N35 N31 C32 C33 . . . . 0.5(4) no
N35 C34 C33 C32 . . . . 1.1(4) no
N41 Os2 P3 C37 . . . . -169.3(2) no
N41 Os2 P3 C311 . . . . -54.9(2) no
N41 Os2 P3 C321 . . . . 66.5(2) no
N41 Os2 P4 C47 . . . . 5.4(1) no
N41 Os2 P4 C411 . . . . 121.6(1) no
N41 Os2 P4 C421 . . . . -117.6(2) no
N41 N45 C44 C43 . . . . -0.5(4) no
N41 N45 C46 C47 . . . . 65.6(4) no
N41 C42 C43 C44 . . . . -1.2(4) no
N45 N41 C42 C43 . . . . 0.9(4) no
N45 C44 C43 C42 . . . . 1.0(4) no
C12 N11 N15 C14 . . . . -0.9(4) no
C12 N11 N15 C16 . . . . 174.7(3) no
C13 C14 N15 C16 . . . . -174.9(3) no
C14 N15 C16 C17 . . . . -119.7(4) no
C16 C17 P1 C111 . . . . -92.8(3) no
C16 C17 P1 C121 . . . . 165.4(2) no
C17 P1 C111 C112 . . . . 49.9(3) no
C17 P1 C111 C116 . . . . -129.1(3) no
C17 P1 C121 C122 . . . . -173.9(3) no
C17 P1 C121 C126 . . . . 11.2(3) no
C22 N21 N25 C24 . . . . 0.0(4) no
C22 N21 N25 C26 . . . . 173.7(3) no
C23 C24 N25 C26 . . . . -174.3(3) no
C24 N25 C26 C27 . . . . -124.3(4) no
C26 C27 P2 C211 . . . . -90.6(3) no
C26 C27 P2 C221 . . . . 167.1(2) no
C27 P2 C211 C212 . . . . 51.3(3) no
C27 P2 C211 C216 . . . . -128.3(3) no
C27 P2 C221 C222 . . . . -175.6(3) no
C27 P2 C221 C226 . . . . 10.6(3) no
C32 N31 N35 C34 . . . . 0.2(4) no
C32 N31 N35 C36 . . . . 172.3(3) no
C33 C34 N35 C36 . . . . -172.7(3) no
C34 N35 C36 C37 . . . . -125.9(4) no
C36 C37 P3 C311 . . . . -90.8(3) no
C36 C37 P3 C321 . . . . 166.7(3) no
C37 P3 C311 C312 . . . . 30.5(3) no
C37 P3 C311 C316 . . . . -148.9(3) no
C37 P3 C321 C322 . . . . -167.0(3) no
C37 P3 C321 C326 . . . . 15.4(4) no
C42 N41 N45 C44 . . . . -0.3(4) no
C42 N41 N45 C46 . . . . 170.6(3) no
C43 C44 N45 C46 . . . . -171.2(3) no
C44 N45 C46 C47 . . . . -124.9(4) no
C46 C47 P4 C411 . . . . -92.5(3) no
C46 C47 P4 C421 . . . . 164.3(3) no
C47 P4 C411 C412 . . . . 41.5(4) no
C47 P4 C411 C416 . . . . -138.9(3) no
C47 P4 C421 C422 . . . . -167.1(3) no
C47 P4 C421 C426 . . . . 13.0(4) no
C111 P1 C121 C122 . . . . 82.8(3) no
C111 P1 C121 C126 . . . . -92.1(3) no
C111 C112 C113 C114 . . . . 0.3(6) no
C111 C116 C115 C114 . . . . -1.1(7) no
C112 C111 P1 C121 . . . . 155.4(3) no
C112 C111 C116 C115 . . . . -0.2(6) no
C112 C113 C114 C115 . . . . -1.6(6) no
C113 C112 C111 C116 . . . . 0.5(6) no
C113 C114 C115 C116 . . . . 1.9(7) no
C116 C111 P1 C121 . . . . -23.6(3) no
C121 C122 C123 C124 . . . . -0.9(6) no
C121 C126 C125 C124 . . . . 0.6(7) no
C122 C121 C126 C125 . . . . -0.2(6) no
C122 C123 C124 C125 . . . . 1.3(7) no
C123 C122 C121 C126 . . . . 0.4(5) no
C123 C124 C125 C126 . . . . -1.1(7) no
C211 P2 C221 C222 . . . . 81.4(3) no
C211 P2 C221 C226 . . . . -92.3(3) no
C211 C212 C213 C214 . . . . -0.5(6) no
C211 C216 C215 C214 . . . . -1.0(6) no
C212 C211 P2 C221 . . . . 158.1(3) no
C212 C211 C216 C215 . . . . 1.6(5) no
C212 C213 C214 C215 . . . . 1.1(6) no
C213 C212 C211 C216 . . . . -0.8(5) no
C213 C214 C215 C216 . . . . -0.4(6) no
C216 C211 P2 C221 . . . . -21.5(3) no
C221 C222 C223 C224 . . . . -0.5(6) no
C221 C226 C225 C224 . . . . 0.2(8) no
C222 C221 C226 C225 . . . . -0.7(6) no
C222 C223 C224 C225 . . . . -0.0(8) no
C223 C222 C221 C226 . . . . 0.9(6) no
C223 C224 C225 C226 . . . . 0.2(8) no
C311 P3 C321 C322 . . . . 89.7(3) no
C311 P3 C321 C326 . . . . -87.8(3) no
C311 C312 C313 C314 . . . . -2.0(5) no
C311 C316 C315 C314 . . . . -0.6(6) no
C312 C311 P3 C321 . . . . 136.8(3) no
C312 C311 C316 C315 . . . . -0.7(5) no
C312 C313 C314 C315 . . . . 0.7(5) no
C313 C312 C311 C316 . . . . 2.0(5) no
C313 C314 C315 C316 . . . . 0.5(5) no
C316 C311 P3 C321 . . . . -42.6(3) no
C321 C322 C323 C324 . . . . -0.7(6) no
C321 C326 C325 C324 . . . . 0.1(6) no
C322 C321 C326 C325 . . . . 0.7(6) no
C322 C323 C324 C325 . . . . 1.6(6) no
C323 C322 C321 C326 . . . . -0.4(6) no
C323 C324 C325 C326 . . . . -1.3(7) no
C411 P4 C421 C422 . . . . 88.6(3) no
C411 P4 C421 C426 . . . . -91.3(4) no
C411 C412 C413 C414 . . . . -0.8(6) no
C411 C416 C415 C414 . . . . -1.9(7) no
C412 C411 P4 C421 . . . . 147.9(3) no
C412 C411 C416 C415 . . . . 1.2(6) no
C412 C413 C414 C415 . . . . 0.1(7) no
C413 C412 C411 C416 . . . . 0.2(6) no
C413 C414 C415 C416 . . . . 1.3(7) no
C416 C411 P4 C421 . . . . -32.5(3) no
C421 C422 C423 C424 . . . . -0.4(6) no
C421 C426 C425 C424 . . . . -0(1) no
C422 C421 C426 C425 . . . . 1.5(8) no
C422 C423 C424 C425 . . . . 1.5(8) no
C423 C422 C421 C426 . . . . -1.0(6) no
C423 C424 C425 C426 . . . . -1(1) no
C511 C512 C513 C514 . . . . 0.7(7) no
C511 C516 C515 C514 . . . . 2.1(8) no
C511 B1 C521 C522 . . . . 55.3(4) no
C511 B1 C521 C526 . . . . -121.7(4) no
C511 B1 C531 C532 . . . . 70.0(5) no
C511 B1 C531 C536 . . . . -106.2(4) no
C511 B1 C541 C542 . . . . 28.8(5) no
C511 B1 C541 C546 . . . . -157.8(4) no
C512 C511 C516 C515 . . . . -1.4(6) no
C512 C511 B1 C521 . . . . -139.9(4) no
C512 C511 B1 C531 . . . . -17.5(5) no
C512 C511 B1 C541 . . . . 104.5(4) no
C512 C513 C514 C515 . . . . 0.0(8) no
C513 C512 C511 C516 . . . . 0.0(6) no
C513 C512 C511 B1 . . . . -178.8(4) no
C513 C514 C515 C516 . . . . -1.4(8) no
C515 C516 C511 B1 . . . . 177.5(4) no
C516 C511 B1 C521 . . . . 41.3(4) no
C516 C511 B1 C531 . . . . 163.7(3) no
C516 C511 B1 C541 . . . . -74.3(4) no
C521 C522 C523 C524 . . . . 1.0(7) no
C521 C526 C525 C524 . . . . 1.0(7) no
C521 B1 C531 C532 . . . . -171.6(4) no
C521 B1 C531 C536 . . . . 12.3(5) no
C521 B1 C541 C542 . . . . -86.1(4) no
C521 B1 C541 C546 . . . . 87.4(5) no
C522 C521 C526 C525 . . . . -0.2(6) no
C522 C521 B1 C531 . . . . -65.4(4) no
C522 C521 B1 C541 . . . . 172.2(3) no
C522 C523 C524 C525 . . . . -0.2(7) no
C523 C522 C521 C526 . . . . -0.8(6) no
C523 C522 C521 B1 . . . . -178.2(4) no
C523 C524 C525 C526 . . . . -0.8(7) no
C525 C526 C521 B1 . . . . 177.0(4) no
C526 C521 B1 C531 . . . . 117.6(4) no
C526 C521 B1 C541 . . . . -4.9(5) no
C531 C532 C533 C534 . . . . -0.1(8) no
C531 C536 C535 C534 . . . . -0.6(7) no
C531 B1 C541 C542 . . . . 150.3(4) no
C531 B1 C541 C546 . . . . -36.3(5) no
C532 C531 C536 C535 . . . . -0.5(6) no
C532 C531 B1 C541 . . . . -51.1(5) no
C532 C533 C534 C535 . . . . -1.0(8) no
C533 C532 C531 C536 . . . . 0.9(7) no
C533 C532 C531 B1 . . . . -175.7(4) no
C533 C534 C535 C536 . . . . 1.4(8) no
C535 C536 C531 B1 . . . . 175.8(4) no
C536 C531 B1 C541 . . . . 132.7(4) no
C541 C542 C543 C544 . . . . 0.6(8) no
C541 C546 C545 C544 . . . . -1(1) no
C542 C541 C546 C545 . . . . 3.1(8) no
C542 C543 C544 C545 . . . . 2.0(8) no
C543 C542 C541 C546 . . . . -3.0(6) no
C543 C542 C541 B1 . . . . 170.9(4) no
C543 C544 C545 C546 . . . . -1.8(9) no
C545 C546 C541 B1 . . . . -170.9(5) no
C611 C612 C613 C614 . . . . -0.7(6) no
C611 C616 C615 C614 . . . . -0.9(6) no
C611 B2 C621 C622 . . . . 101.3(4) no
C611 B2 C621 C626 . . . . -72.3(4) no
C611 B2 C631 C632 . . . . -46.5(5) no
C611 B2 C631 C636 . . . . 139.0(4) no
C611 B2 C641 C642 . . . . -162.6(3) no
C611 B2 C641 C646 . . . . 24.0(5) no
C612 C611 C616 C615 . . . . 0.3(5) no
C612 C611 B2 C621 . . . . -82.3(4) no
C612 C611 B2 C631 . . . . 157.6(3) no
C612 C611 B2 C641 . . . . 40.1(5) no
C612 C613 C614 C615 . . . . 0.1(6) no
C613 C612 C611 C616 . . . . 0.5(6) no
C613 C612 C611 B2 . . . . 172.4(4) no
C613 C614 C615 C616 . . . . 0.6(6) no
C615 C616 C611 B2 . . . . -171.6(3) no
C616 C611 B2 C621 . . . . 89.1(4) no
C616 C611 B2 C631 . . . . -31.1(5) no
C616 C611 B2 C641 . . . . -148.6(3) no
C621 C622 C623 C624 . . . . -0.1(7) no
C621 C626 C625 C624 . . . . 0.3(7) no
C621 B2 C631 C632 . . . . -161.5(3) no
C621 B2 C631 C636 . . . . 24.0(5) no
C621 B2 C641 C642 . . . . -46.2(4) no
C621 B2 C641 C646 . . . . 140.4(4) no
C622 C621 C626 C625 . . . . 1.0(6) no
C622 C621 B2 C631 . . . . -137.8(4) no
C622 C621 B2 C641 . . . . -21.0(5) no
C622 C623 C624 C625 . . . . 1.4(7) no
C623 C622 C621 C626 . . . . -1.1(6) no
C623 C622 C621 B2 . . . . -174.9(4) no
C623 C624 C625 C626 . . . . -1.5(7) no
C625 C626 C621 B2 . . . . 175.2(4) no
C626 C621 B2 C631 . . . . 48.6(4) no
C626 C621 B2 C641 . . . . 165.4(3) no
C631 C632 C633 C634 . . . . 0.2(6) no
C631 C636 C635 C634 . . . . -0.6(6) no
C631 B2 C641 C642 . . . . 74.9(4) no
C631 B2 C641 C646 . . . . -98.5(4) no
C632 C631 C636 C635 . . . . 2.0(6) no
C632 C631 B2 C641 . . . . 76.3(4) no
C632 C633 C634 C635 . . . . 1.3(6) no
C633 C632 C631 C636 . . . . -1.8(5) no
C633 C632 C631 B2 . . . . -176.8(3) no
C633 C634 C635 C636 . . . . -1.1(6) no
C635 C636 C631 B2 . . . . 176.8(4) no
C636 C631 B2 C641 . . . . -98.3(4) no
C641 C642 C643 C644 . . . . 1.4(7) no
C641 C646 C645 C644 . . . . 0.0(7) no
C642 C641 C646 C645 . . . . 1.9(5) no
C642 C643 C644 C645 . . . . 0.7(7) no
C643 C642 C641 C646 . . . . -2.6(5) no
C643 C642 C641 B2 . . . . -176.6(4) no
C643 C644 C645 C646 . . . . -1.4(7) no
C645 C646 C641 B2 . . . . 175.6(4) no
