#------------------------------------------------------------------------------
#$Date: 2020-09-06 11:13:47 +0300 (Sun, 06 Sep 2020) $
#$Revision: 255956 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/68/7126880.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_7126880
loop_
_publ_author_name
'Yeung, Chi-Fung'
'Chung, Lai-Hon'
'Tse, Sheung-Ying'
'Shek, Hau-Lam'
'Tse, Man-Kit'
'Yiu, Shek-Man'
'Wong, Chun-Yuen'
_publ_section_title
;
 Conventional and unconventional alkyne activations by Ru and Os for
 unprecedented dimetalated quinolizinium complexes.
;
_journal_issue                   63
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8908
_journal_page_last               8911
_journal_paper_doi               10.1039/d0cc03480k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C65 H54 N Os P4, Cl O4, C H2 Cl2'
_chemical_formula_sum            'C66 H56 Cl3 N O4 Os P4'
_chemical_formula_weight         1347.54
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_audit_creation_date             2017-06-23
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_audit_update_record
;
2020-05-05 deposited with the CCDC.	2020-07-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.8180(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.6240(2)
_cell_length_b                   19.9252(2)
_cell_length_c                   13.1753(2)
_cell_measurement_reflns_used    7710
_cell_measurement_temperature    173.00(14)
_cell_measurement_theta_max      71.7220
_cell_measurement_theta_min      6.2650
_cell_volume                     2950.05(8)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      173.00(14)
_diffrn_detector_area_resol_mean 16.1270
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_av_unetI/netI     0.0341
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11468
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.237
_diffrn_reflns_theta_min         3.470
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    6.752
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49276
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_description       block
_exptl_crystal_F_000             1356
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.270
_refine_diff_density_min         -0.962
_refine_diff_density_rms         0.079
_refine_ls_abs_structure_details
;
 Refined as a perfect inversion twin.
;
_refine_ls_abs_structure_Flack   0.5
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     712
_refine_ls_number_reflns         7826
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0255
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0417P)²+1.5878P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0661
_refine_ls_wR_factor_ref         0.0663
_reflns_Friedel_coverage         0.940
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                7759
_reflns_number_total             7826
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc03480k2.cif
_cod_data_source_block           2q
_cod_depositor_comments
'Adding full bibliography for 7126879--7126885.cif.'
_cod_database_code               7126880
_shelx_shelxl_version_number     2016/4
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C28(H28A,H28B), C53(H53A,H53B), C66(H66A,H66B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C6(H6), C8(H8), C11(H11), C12(H12), C13(H13),
 C14(H14), C15(H15), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C23(H23),
  C24(H24), C25(H25), C26(H26), C27(H27), C30(H30), C31(H31), C32(H32),
 C33(H33), C34(H34), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C42(H42),
  C43(H43), C44(H44), C45(H45), C46(H46), C48(H48), C49(H49), C50(H50),
 C51(H51), C52(H52), C55(H55), C56(H56), C57(H57), C58(H58), C59(H59), C61(H61),
  C62(H62), C63(H63), C64(H64), C65(H65)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
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 0.17927(2) 0.25019(2) 0.27617(2) 0.01617(7) Uani 1 1 d . . . . .
P1 P 0.20835(11) 0.36483(7) 0.24923(10) 0.0190(2) Uani 1 1 d . . . . .
P2 P 0.03580(11) 0.31377(6) 0.33190(9) 0.0178(2) Uani 1 1 d . . . . .
P3 P 0.30874(11) 0.23119(6) 0.44205(10) 0.0202(3) Uani 1 1 d . . . . .
P4 P 0.15129(12) 0.14096(7) 0.33221(10) 0.0203(3) Uani 1 1 d . . . . .
N1 N 0.1868(4) 0.2141(2) 0.0868(3) 0.0215(9) Uani 1 1 d . . . . .
C1 C 0.2812(5) 0.2177(3) 0.1749(4) 0.0215(10) Uani 1 1 d . . . . .
C2 C 0.3896(5) 0.1992(3) 0.1599(5) 0.0299(12) Uani 1 1 d . . . . .
H2 H 0.458927 0.200239 0.216846 0.036 Uiso 1 1 calc R . . . .
C3 C 0.3972(6) 0.1784(4) 0.0585(5) 0.0395(15) Uani 1 1 d . . . . .
H3 H 0.472703 0.166337 0.048710 0.047 Uiso 1 1 calc R . . . .
C4 C 0.2993(6) 0.1752(4) -0.0258(5) 0.0361(14) Uani 1 1 d . . . . .
H4 H 0.307185 0.160314 -0.092146 0.043 Uiso 1 1 calc R . . . .
C5 C 0.1875(5) 0.1942(3) -0.0133(4) 0.0288(12) Uani 1 1 d . . . . .
C6 C 0.0768(5) 0.1941(3) -0.0882(4) 0.0294(12) Uani 1 1 d . . . . .
H6 H 0.072310 0.180946 -0.158430 0.035 Uiso 1 1 calc R . . . .
C7 C -0.0249(5) 0.2129(3) -0.0605(4) 0.0274(12) Uani 1 1 d . . . . .
C8 C -0.0188(5) 0.2340(3) 0.0449(4) 0.0261(13) Uani 1 1 d . . . . .
H8 H -0.089365 0.247746 0.062835 0.031 Uiso 1 1 calc R . . . .
C9 C 0.0874(5) 0.2345(2) 0.1200(4) 0.0221(12) Uani 1 1 d . . . . .
C10 C -0.1428(5) 0.2104(3) -0.1373(4) 0.0310(13) Uani 1 1 d . . . . .
C11 C -0.2312(5) 0.2557(5) -0.1315(5) 0.0440(15) Uani 1 1 d . . . . .
H11 H -0.215379 0.289569 -0.079105 0.053 Uiso 1 1 calc R . . . .
C12 C -0.3433(6) 0.2520(8) -0.2020(5) 0.0524(16) Uani 1 1 d . . . . .
H12 H -0.403851 0.283043 -0.197642 0.063 Uiso 1 1 calc R . . . .
C13 C -0.3652(7) 0.2027(5) -0.2782(6) 0.056(2) Uani 1 1 d . . . . .
H13 H -0.441437 0.199554 -0.326191 0.067 Uiso 1 1 calc R . . . .
C14 C -0.2773(7) 0.1582(4) -0.2849(5) 0.0444(17) Uani 1 1 d . . . . .
H14 H -0.292998 0.124907 -0.338309 0.053 Uiso 1 1 calc R . . . .
C15 C -0.1665(6) 0.1611(4) -0.2150(5) 0.0394(15) Uani 1 1 d . . . . .
H15 H -0.106676 0.129647 -0.219711 0.047 Uiso 1 1 calc R . . . .
C16 C 0.1571(5) 0.4028(3) 0.1183(4) 0.0254(11) Uani 1 1 d . . . . .
C17 C 0.1841(7) 0.3718(4) 0.0342(5) 0.0394(15) Uani 1 1 d . . . . .
H17 H 0.230477 0.331950 0.044530 0.047 Uiso 1 1 calc R . . . .
C18 C 0.1431(8) 0.3990(4) -0.0673(6) 0.054(2) Uani 1 1 d . . . . .
H18 H 0.160832 0.377260 -0.125659 0.065 Uiso 1 1 calc R . . . .
C19 C 0.0772(8) 0.4572(5) -0.0816(6) 0.060(2) Uani 1 1 d . . . . .
H19 H 0.047867 0.474939 -0.150225 0.072 Uiso 1 1 calc R . . . .
C20 C 0.0536(8) 0.4897(5) 0.0027(7) 0.062(2) Uani 1 1 d . . . . .
H20 H 0.010469 0.530718 -0.007598 0.075 Uiso 1 1 calc R . . . .
C21 C 0.0927(7) 0.4629(4) 0.1031(6) 0.0436(16) Uani 1 1 d . . . . .
H21 H 0.075778 0.485302 0.161195 0.052 Uiso 1 1 calc R . . . .
C22 C 0.3511(5) 0.4072(3) 0.2954(4) 0.0238(11) Uani 1 1 d . . . . .
C23 C 0.4538(5) 0.3758(3) 0.2851(5) 0.0324(13) Uani 1 1 d . . . . .
H23 H 0.449419 0.331697 0.256937 0.039 Uiso 1 1 calc R . . . .
C24 C 0.5636(5) 0.4082(4) 0.3158(5) 0.0386(15) Uani 1 1 d . . . . .
H24 H 0.633599 0.386454 0.307981 0.046 Uiso 1 1 calc R . . . .
C25 C 0.5699(6) 0.4720(4) 0.3577(6) 0.0432(16) Uani 1 1 d . . . . .
H25 H 0.644698 0.494020 0.379898 0.052 Uiso 1 1 calc R . . . .
C26 C 0.4667(7) 0.5044(4) 0.3675(7) 0.0485(18) Uani 1 1 d . . . . .
H26 H 0.471123 0.548587 0.395343 0.058 Uiso 1 1 calc R . . . .
C27 C 0.3588(6) 0.4723(4) 0.3368(6) 0.0404(15) Uani 1 1 d . . . . .
H27 H 0.288769 0.494372 0.343655 0.048 Uiso 1 1 calc R . . . .
C28 C 0.1084(5) 0.3955(3) 0.3281(4) 0.0212(10) Uani 1 1 d . . . . .
H28A H 0.152165 0.411424 0.398583 0.025 Uiso 1 1 calc R . . . .
H28B H 0.052532 0.430464 0.291544 0.025 Uiso 1 1 calc R . . . .
C29 C -0.1131(4) 0.3195(3) 0.2425(4) 0.0220(10) Uani 1 1 d . . . . .
C30 C -0.1898(5) 0.2670(3) 0.2436(5) 0.0360(17) Uani 1 1 d . . . . .
H30 H -0.165617 0.231112 0.291806 0.043 Uiso 1 1 calc R . . . .
C31 C -0.3025(5) 0.2662(4) 0.1744(5) 0.044(2) Uani 1 1 d . . . . .
H31 H -0.354743 0.229784 0.176211 0.052 Uiso 1 1 calc R . . . .
C32 C -0.3394(5) 0.3173(4) 0.1036(5) 0.0441(17) Uani 1 1 d . . . . .
H32 H -0.415987 0.316161 0.055841 0.053 Uiso 1 1 calc R . . . .
C33 C -0.2625(6) 0.3707(4) 0.1030(6) 0.0462(17) Uani 1 1 d . . . . .
H33 H -0.286849 0.406643 0.054890 0.055 Uiso 1 1 calc R . . . .
C34 C -0.1500(5) 0.3719(4) 0.1727(5) 0.0362(14) Uani 1 1 d . . . . .
H34 H -0.098330 0.408796 0.172231 0.043 Uiso 1 1 calc R . . . .
C35 C 0.0010(4) 0.3131(3) 0.4598(4) 0.0226(10) Uani 1 1 d . . . . .
C36 C -0.0047(4) 0.2527(4) 0.5111(4) 0.0281(10) Uani 1 1 d . . . . .
H36 H 0.009435 0.211876 0.479152 0.034 Uiso 1 1 calc R . . . .
C37 C -0.0310(5) 0.2511(6) 0.6084(4) 0.0376(12) Uani 1 1 d . . . . .
H37 H -0.035162 0.209654 0.642823 0.045 Uiso 1 1 calc R . . . .
C38 C -0.0509(7) 0.3113(4) 0.6542(5) 0.0452(17) Uani 1 1 d . . . . .
H38 H -0.068186 0.310897 0.720911 0.054 Uiso 1 1 calc R . . . .
C39 C -0.0459(8) 0.3712(4) 0.6044(6) 0.0494(19) Uani 1 1 d . . . . .
H39 H -0.058877 0.411980 0.637065 0.059 Uiso 1 1 calc R . . . .
C40 C -0.0215(6) 0.3725(3) 0.5052(5) 0.0369(14) Uani 1 1 d . . . . .
H40 H -0.020524 0.413873 0.469655 0.044 Uiso 1 1 calc R . . . .
C41 C 0.4623(5) 0.2080(3) 0.4460(4) 0.0252(11) Uani 1 1 d . . . . .
C42 C 0.5519(5) 0.2564(4) 0.4636(4) 0.0329(12) Uani 1 1 d . . . . .
H42 H 0.534496 0.301135 0.479442 0.039 Uiso 1 1 calc R . . . .
C43 C 0.6663(5) 0.2399(4) 0.4581(6) 0.0425(17) Uani 1 1 d . . . . .
H43 H 0.726219 0.273486 0.468881 0.051 Uiso 1 1 calc R . . . .
C44 C 0.6927(6) 0.1751(4) 0.4370(5) 0.0397(15) Uani 1 1 d . . . . .
H44 H 0.770859 0.163635 0.433413 0.048 Uiso 1 1 calc R . . . .
C45 C 0.6059(6) 0.1272(4) 0.4213(6) 0.0391(15) Uani 1 1 d . . . . .
H45 H 0.625110 0.082125 0.408724 0.047 Uiso 1 1 calc R . . . .
C46 C 0.4898(5) 0.1429(4) 0.4234(5) 0.0363(14) Uani 1 1 d . . . . .
H46 H 0.429866 0.109305 0.409365 0.044 Uiso 1 1 calc R . . . .
C47 C 0.3263(4) 0.2828(3) 0.5594(4) 0.0241(11) Uani 1 1 d . . . . .
C48 C 0.3591(5) 0.3503(3) 0.5565(5) 0.0299(12) Uani 1 1 d . . . . .
H48 H 0.369437 0.368885 0.493076 0.036 Uiso 1 1 calc R . . . .
C49 C 0.3766(6) 0.3899(3) 0.6449(5) 0.0382(14) Uani 1 1 d . . . . .
H49 H 0.401491 0.435139 0.642328 0.046 Uiso 1 1 calc R . . . .
C50 C 0.3582(7) 0.3647(4) 0.7370(5) 0.0465(17) Uani 1 1 d . . . . .
H50 H 0.369143 0.392588 0.797226 0.056 Uiso 1 1 calc R . . . .
C51 C 0.3237(7) 0.2981(5) 0.7412(5) 0.0460(18) Uani 1 1 d . . . . .
H51 H 0.310361 0.280401 0.804150 0.055 Uiso 1 1 calc R . . . .
C52 C 0.3086(5) 0.2575(4) 0.6529(4) 0.0334(13) Uani 1 1 d . . . . .
H52 H 0.286019 0.211942 0.656365 0.040 Uiso 1 1 calc R . . . .
C53 C 0.2381(5) 0.1521(3) 0.4697(4) 0.0257(11) Uani 1 1 d . . . . .
H53A H 0.296271 0.115532 0.494332 0.031 Uiso 1 1 calc R . . . .
H53B H 0.187372 0.158273 0.518913 0.031 Uiso 1 1 calc R . . . .
C54 C 0.2144(5) 0.0661(3) 0.2854(5) 0.0262(11) Uani 1 1 d . . . . .
C55 C 0.2111(7) 0.0601(3) 0.1790(5) 0.0392(15) Uani 1 1 d . . . . .
H55 H 0.178803 0.095254 0.131422 0.047 Uiso 1 1 calc R . . . .
C56 C 0.2550(8) 0.0028(4) 0.1435(7) 0.056(2) Uani 1 1 d . . . . .
H56 H 0.253317 -0.000679 0.071190 0.067 Uiso 1 1 calc R . . . .
C57 C 0.3004(8) -0.0486(5) 0.2089(8) 0.063(2) Uani 1 1 d . . . . .
H57 H 0.330502 -0.087528 0.182774 0.075 Uiso 1 1 calc R . . . .
C58 C 0.3025(7) -0.0439(4) 0.3127(8) 0.057(2) Uani 1 1 d . . . . .
H58 H 0.334181 -0.079908 0.358650 0.068 Uiso 1 1 calc R . . . .
C59 C 0.2589(6) 0.0128(3) 0.3524(6) 0.0404(15) Uani 1 1 d . . . . .
H59 H 0.259369 0.015014 0.424569 0.049 Uiso 1 1 calc R . . . .
C60 C 0.0060(5) 0.1052(3) 0.3285(5) 0.0276(12) Uani 1 1 d . . . . .
C61 C -0.0824(6) 0.1116(4) 0.2343(6) 0.0432(17) Uani 1 1 d . . . . .
H61 H -0.066444 0.138685 0.180126 0.052 Uiso 1 1 calc R . . . .
C62 C -0.1920(7) 0.0803(5) 0.2167(6) 0.054(2) Uani 1 1 d . . . . .
H62 H -0.251248 0.086593 0.152804 0.064 Uiso 1 1 calc R . . . .
C63 C -0.2125(7) 0.0398(4) 0.2944(7) 0.053(2) Uani 1 1 d . . . . .
H63 H -0.285552 0.016036 0.282650 0.063 Uiso 1 1 calc R . . . .
C64 C -0.1301(8) 0.0329(4) 0.3880(8) 0.057(2) Uani 1 1 d . . . . .
H64 H -0.147600 0.005872 0.441501 0.069 Uiso 1 1 calc R . . . .
C65 C -0.0182(7) 0.0658(4) 0.4066(6) 0.0437(16) Uani 1 1 d . . . . .
H65 H 0.039117 0.060807 0.471977 0.052 Uiso 1 1 calc R . . . .
Cl1 Cl 0.85844(19) 0.55534(9) 0.28013(15) 0.0504(4) Uani 1 1 d . . . . .
O1 O 0.9855(15) 0.5539(7) 0.2907(16) 0.212(9) Uani 1 1 d . . . . .
O2 O 0.8422(11) 0.6198(4) 0.3046(7) 0.124(4) Uani 1 1 d . . . . .
O3 O 0.829(2) 0.5379(5) 0.1791(8) 0.220(10) Uani 1 1 d . . . . .
O4 O 0.8483(6) 0.5061(4) 0.3549(5) 0.0687(18) Uani 1 1 d . . . . .
Cl2 Cl 0.3949(5) 0.5893(2) 0.0832(3) 0.1322(17) Uani 1 1 d . . . . .
Cl3 Cl 0.4770(2) 0.49117(16) -0.0412(2) 0.0812(8) Uani 1 1 d . . . . .
C66 C 0.451(2) 0.5100(8) 0.0758(12) 0.163(9) Uani 1 1 d . . . . .
H66A H 0.526705 0.505552 0.130998 0.195 Uiso 1 1 calc R . . . .
H66B H 0.394527 0.476797 0.091051 0.195 Uiso 1 1 calc R . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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
P1 Os1 P2 70.42(4) . . ?
P3 Os1 P1 102.41(4) . . ?
P3 Os1 P2 97.64(4) . . ?
P3 Os1 P4 70.42(5) . . ?
P4 Os1 P1 170.34(4) . . ?
P4 Os1 P2 103.56(4) . . ?
C1 Os1 P1 94.42(15) . . ?
C1 Os1 P2 157.33(15) . . ?
C1 Os1 P3 102.15(15) . . ?
C1 Os1 P4 93.47(15) . . ?
C9 Os1 P1 93.09(13) . . ?
C9 Os1 P2 99.42(14) . . ?
C9 Os1 P3 160.01(14) . . ?
C9 Os1 P4 95.40(13) . . ?
C9 Os1 C1 63.7(2) . . ?
C16 P1 Os1 121.1(2) . . ?
C16 P1 C28 107.0(3) . . ?
C22 P1 Os1 123.66(19) . . ?
C22 P1 C16 99.9(2) . . ?
C22 P1 C28 108.0(2) . . ?
C28 P1 Os1 95.79(19) . . ?
C28 P2 Os1 95.80(17) . . ?
C29 P2 Os1 117.47(17) . . ?
C29 P2 C28 107.0(3) . . ?
C29 P2 C35 101.4(2) . . ?
C35 P2 Os1 128.56(18) . . ?
C35 P2 C28 104.0(2) . . ?
C41 P3 Os1 117.12(17) . . ?
C41 P3 C53 104.9(3) . . ?
C47 P3 Os1 127.22(18) . . ?
C47 P3 C41 102.8(2) . . ?
C47 P3 C53 105.8(2) . . ?
C53 P3 Os1 96.27(18) . . ?
C53 P4 Os1 96.46(19) . . ?
C54 P4 Os1 123.19(19) . . ?
C54 P4 C53 105.2(3) . . ?
C60 P4 Os1 123.8(2) . . ?
C60 P4 C53 110.1(3) . . ?
C60 P4 C54 96.9(3) . . ?
C1 N1 C9 105.4(4) . . ?
C5 N1 C1 128.4(5) . . ?
C5 N1 C9 126.2(5) . . ?
N1 C1 Os1 95.4(3) . . ?
C2 C1 Os1 149.4(4) . . ?
C2 C1 N1 115.2(5) . . ?
C1 C2 C3 119.5(6) . . ?
C4 C3 C2 122.3(5) . . ?
C3 C4 C5 119.6(5) . . ?
N1 C5 C4 115.0(5) . . ?
N1 C5 C6 116.3(5) . . ?
C4 C5 C6 128.7(5) . . ?
C7 C6 C5 120.4(5) . . ?
C6 C7 C8 120.3(5) . . ?
C6 C7 C10 121.1(5) . . ?
C8 C7 C10 118.6(5) . . ?
C9 C8 C7 120.8(5) . . ?
N1 C9 Os1 95.6(3) . . ?
C8 C9 Os1 148.5(4) . . ?
C8 C9 N1 115.9(5) . . ?
C11 C10 C7 120.7(6) . . ?
C11 C10 C15 119.3(6) . . ?
C15 C10 C7 120.0(6) . . ?
C10 C11 C12 120.6(9) . . ?
C13 C12 C11 119.2(10) . . ?
C14 C13 C12 120.3(7) . . ?
C13 C14 C15 120.9(7) . . ?
C14 C15 C10 119.7(7) . . ?
C17 C16 P1 119.1(5) . . ?
C17 C16 C21 119.5(6) . . ?
C21 C16 P1 121.3(5) . . ?
C16 C17 C18 120.1(7) . . ?
C19 C18 C17 119.7(7) . . ?
C20 C19 C18 120.5(7) . . ?
C19 C20 C21 120.2(8) . . ?
C20 C21 C16 119.9(7) . . ?
C23 C22 P1 119.5(5) . . ?
C23 C22 C27 119.1(5) . . ?
C27 C22 P1 121.4(4) . . ?
C22 C23 C24 120.7(6) . . ?
C25 C24 C23 119.5(6) . . ?
C24 C25 C26 120.2(6) . . ?
C27 C26 C25 119.9(7) . . ?
C26 C27 C22 120.6(6) . . ?
P2 C28 P1 94.7(3) . . ?
C30 C29 P2 117.0(4) . . ?
C30 C29 C34 119.2(5) . . ?
C34 C29 P2 123.8(4) . . ?
C29 C30 C31 120.4(6) . . ?
C32 C31 C30 120.9(6) . . ?
C31 C32 C33 118.8(6) . . ?
C34 C33 C32 120.4(7) . . ?
C29 C34 C33 120.3(6) . . ?
C36 C35 P2 120.2(4) . . ?
C40 C35 P2 120.2(4) . . ?
C40 C35 C36 119.6(5) . . ?
C35 C36 C37 121.1(8) . . ?
C38 C37 C36 118.8(9) . . ?
C39 C38 C37 120.8(6) . . ?
C38 C39 C40 120.3(7) . . ?
C35 C40 C39 119.5(6) . . ?
C42 C41 P3 120.8(5) . . ?
C46 C41 P3 120.4(4) . . ?
C46 C41 C42 118.6(5) . . ?
C43 C42 C41 120.8(7) . . ?
C44 C43 C42 119.9(7) . . ?
C45 C44 C43 119.6(6) . . ?
C44 C45 C46 121.4(7) . . ?
C41 C46 C45 119.5(6) . . ?
C48 C47 P3 119.3(4) . . ?
C52 C47 P3 122.4(5) . . ?
C52 C47 C48 118.2(6) . . ?
C49 C48 C47 120.6(6) . . ?
C48 C49 C50 120.8(7) . . ?
C49 C50 C51 119.5(6) . . ?
C52 C51 C50 119.8(7) . . ?
C51 C52 C47 120.9(7) . . ?
P4 C53 P3 93.9(3) . . ?
C55 C54 P4 119.7(5) . . ?
C59 C54 P4 121.4(5) . . ?
C59 C54 C55 118.8(6) . . ?
C56 C55 C54 119.5(7) . . ?
C57 C56 C55 121.8(8) . . ?
C56 C57 C58 119.3(7) . . ?
C57 C58 C59 121.2(8) . . ?
C58 C59 C54 119.4(7) . . ?
C61 C60 P4 117.0(5) . . ?
C65 C60 P4 124.5(5) . . ?
C65 C60 C61 118.0(6) . . ?
C62 C61 C60 122.9(7) . . ?
C63 C62 C61 117.9(8) . . ?
C64 C63 C62 121.3(7) . . ?
C63 C64 C65 120.7(7) . . ?
C60 C65 C64 119.1(8) . . ?
O2 Cl1 O1 101.4(9) . . ?
O2 Cl1 O4 116.9(5) . . ?
O3 Cl1 O1 94.9(11) . . ?
O3 Cl1 O2 118.1(6) . . ?
O3 Cl1 O4 117.9(6) . . ?
O4 Cl1 O1 100.6(6) . . ?
Cl3 C66 Cl2 114.5(9) . . ?
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 P1 2.3494(14) . ?
Os1 P2 2.3562(12) . ?
Os1 P3 2.3457(12) . ?
Os1 P4 2.3474(14) . ?
Os1 C1 2.100(5) . ?
Os1 C9 2.085(5) . ?
P1 C16 1.837(6) . ?
P1 C22 1.822(5) . ?
P1 C28 1.849(5) . ?
P2 C28 1.841(6) . ?
P2 C29 1.831(5) . ?
P2 C35 1.831(5) . ?
P3 C41 1.832(5) . ?
P3 C47 1.824(5) . ?
P3 C53 1.856(6) . ?
P4 C53 1.847(6) . ?
P4 C54 1.837(6) . ?
P4 C60 1.822(6) . ?
N1 C1 1.380(7) . ?
N1 C5 1.379(7) . ?
N1 C9 1.395(6) . ?
C1 C2 1.376(7) . ?
C2 C3 1.423(9) . ?
C3 C4 1.373(9) . ?
C4 C5 1.403(9) . ?
C5 C6 1.407(9) . ?
C6 C7 1.376(8) . ?
C7 C8 1.434(7) . ?
C7 C10 1.482(8) . ?
C8 C9 1.371(8) . ?
C10 C11 1.383(11) . ?
C10 C15 1.394(9) . ?
C11 C12 1.395(8) . ?
C12 C13 1.381(15) . ?
C13 C14 1.373(12) . ?
C14 C15 1.380(9) . ?
C16 C17 1.373(9) . ?
C16 C21 1.399(9) . ?
C17 C18 1.409(10) . ?
C18 C19 1.375(13) . ?
C19 C20 1.373(14) . ?
C20 C21 1.391(10) . ?
C22 C23 1.385(8) . ?
C22 C27 1.400(9) . ?
C23 C24 1.395(8) . ?
C24 C25 1.382(11) . ?
C25 C26 1.397(11) . ?
C26 C27 1.374(9) . ?
C29 C30 1.378(8) . ?
C29 C34 1.385(9) . ?
C30 C31 1.392(8) . ?
C31 C32 1.373(11) . ?
C32 C33 1.392(11) . ?
C33 C34 1.392(9) . ?
C35 C36 1.389(10) . ?
C35 C40 1.380(8) . ?
C36 C37 1.393(7) . ?
C37 C38 1.387(13) . ?
C38 C39 1.370(11) . ?
C39 C40 1.408(9) . ?
C41 C42 1.394(9) . ?
C41 C46 1.386(9) . ?
C42 C43 1.390(8) . ?
C43 C44 1.371(11) . ?
C44 C45 1.366(10) . ?
C45 C46 1.392(8) . ?
C47 C48 1.401(9) . ?
C47 C52 1.393(8) . ?
C48 C49 1.378(9) . ?
C49 C50 1.380(10) . ?
C50 C51 1.391(12) . ?
C51 C52 1.390(10) . ?
C54 C55 1.397(9) . ?
C54 C59 1.395(9) . ?
C55 C56 1.380(10) . ?
C56 C57 1.357(14) . ?
C57 C58 1.365(13) . ?
C58 C59 1.394(10) . ?
C60 C61 1.399(10) . ?
C60 C65 1.379(9) . ?
C61 C62 1.385(9) . ?
C62 C63 1.370(12) . ?
C63 C64 1.361(13) . ?
C64 C65 1.420(11) . ?
Cl1 O1 1.448(14) . ?
Cl1 O2 1.349(7) . ?
Cl1 O3 1.333(11) . ?
Cl1 O4 1.416(6) . ?
Cl2 C66 1.721(18) . ?
Cl3 C66 1.688(15) . ?
