#------------------------------------------------------------------------------
#$Date: 2021-10-06 18:44:39 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269737 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/80/7708061.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_7708061
loop_
_publ_author_name
'Zhou, Haiyu'
'Bai, Tongtong'
'Pan, Yanlin'
'Wei, Yongliang'
'Wang, Tongdao'
_publ_section_title
;
 Facile synthesis of air-stable heterobimetallic osmium-silver hydride
 complexes.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12093
_journal_page_last               12097
_journal_paper_doi               10.1039/d1dt02619d
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C65 H56 Ag O Os P3'
_chemical_formula_sum            'C65 H56 Ag O Os P3'
_chemical_formula_weight         1244.07
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2021-02-28
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-08-13 deposited with the CCDC.	2021-08-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.0280(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.1963(4)
_cell_length_b                   29.4703(10)
_cell_length_c                   13.9338(4)
_cell_measurement_reflns_used    9519
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.444
_cell_measurement_theta_min      2.437
_cell_volume                     5378.1(3)
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_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    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      120.15
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX2 microsource'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0182
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            125506
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.522
_diffrn_reflns_theta_min         2.372
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    2.856
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6182
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0652 before and 0.0455 after correction.
The Ratio of minimum to maximum transmission is 0.8291.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_description       block
_exptl_crystal_F_000             2488
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.814
_refine_diff_density_min         -0.797
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     689
_refine_ls_number_reflns         12348
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0379
_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)+(0.0426P)²+23.7083P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0947
_refine_ls_wR_factor_ref         0.1004
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11039
_reflns_number_total             12348
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02619d2.cif
_cod_data_source_block           mo_19nov8btta_0m_pl
_cod_depositor_comments
'Adding full bibliography for 7708061--7708062.cif.'
_cod_database_code               7708061
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.599
_shelx_estimated_absorpt_t_min   0.366
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 P2-C21A \\sim P2-C211
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C24A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C21A) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4. Rigid body (RIGU) restrains
 C211, C212, C213, C214, C215, C216
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Sof(C26A)=Sof(H26A)=Sof(C21A)=Sof(C22A)=Sof(H22A)=Sof(C23A)=Sof(H23A)=
 Sof(C24A)=Sof(H24A)=Sof(C25A)=Sof(H25A)=1-FVAR(1)
 Sof(C211)=Sof(C212)=Sof(H212)=Sof(C213)=Sof(H213)=Sof(C214)=Sof(H214)=
 Sof(C215)=Sof(H215)=Sof(C216)=Sof(H216)=FVAR(1)
6.a Aromatic/amide H refined with riding coordinates:
 C26A(H26A), C22A(H22A), C23A(H23A), C24A(H24A), C25A(H25A), C102(H102),
 C103(H103), C104(H104), C105(H105), C106(H106), C112(H112), C113(H113),
 C114(H114), C115(H115), C116(H116), C122(H122), C123(H123), C124(H124),
 C125(H125), C126(H126), C202(H202), C203(H203), C204(H204), C205(H205),
 C206(H206), C212(H212), C213(H213), C214(H214), C215(H215), C216(H216),
 C222(H222), C223(H223), C224(H224), C225(H225), C226(H226), C302(H302),
 C303(H303), C304(H304), C305(H305), C306(H306), C312(H312), C313(H313),
 C314(H314), C315(H315), C316(H316), C322(H322), C323(H323), C324(H324),
 C325(H325), C326(H326)
6.b Fitted hexagon refined as free rotating group:
 C26A(C21A,C22A,C23A,C24A,C25A)
6.c X=CH2 refined with riding coordinates:
 C4(H4A,H4B), C9(H9A,H9B)
6.d Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C10(H10A,H10B,H10C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'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_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 0.16018(2) 0.17305(2) 0.35247(2) 0.02397(6) Uani 1 1 d . . . . .
H H 0.161(4) 0.154(2) 0.240(4) 0.046(15) Uiso 1 1 d . . . . .
O1 O -0.0607(3) 0.19450(16) 0.2841(4) 0.0644(13) Uani 1 1 d . . . . .
C1 C 0.3184(3) 0.16030(17) 0.3791(3) 0.0332(9) Uani 1 1 d . . . . .
P1 P 0.21270(8) 0.24372(4) 0.29696(7) 0.0268(2) Uani 1 1 d . . . . .
Ag1 Ag 0.28499(3) 0.12662(2) 0.23065(3) 0.04304(10) Uani 1 1 d . . . . .
C2 C 0.4096(4) 0.1540(2) 0.3855(4) 0.0441(12) Uani 1 1 d . . . . .
P2 P 0.10991(9) 0.10183(4) 0.40606(10) 0.0346(3) Uani 1 1 d D . . . .
C3 C 0.5194(4) 0.1502(3) 0.3998(5) 0.0661(19) Uani 1 1 d . . . . .
P3 P 0.36491(10) 0.07848(4) 0.12807(9) 0.0358(3) Uani 1 1 d . . . . .
C4 C 0.5650(6) 0.1106(4) 0.4298(10) 0.135(5) Uani 1 1 d . . . . .
H4A H 0.524629 0.085004 0.441524 0.163 Uiso 1 1 calc R . . . .
H4B H 0.637385 0.108499 0.439004 0.163 Uiso 1 1 calc R . . . .
C5 C 0.5764(5) 0.1911(4) 0.3820(7) 0.097(3) Uani 1 1 d . . . . .
H5A H 0.566351 0.198162 0.312744 0.146 Uiso 1 1 calc GR . . . .
H5B H 0.649148 0.186127 0.402876 0.146 Uiso 1 1 calc GR . . . .
H5C H 0.551886 0.216470 0.418338 0.146 Uiso 1 1 calc GR . . . .
C6 C 0.1632(3) 0.19436(14) 0.4944(3) 0.0259(8) Uani 1 1 d . . . . .
C7 C 0.1660(3) 0.20236(15) 0.5790(3) 0.0302(9) Uani 1 1 d . . . . .
C8 C 0.1694(4) 0.21204(18) 0.6809(3) 0.0373(10) Uani 1 1 d . . . . .
C9 C 0.1079(6) 0.1907(3) 0.7356(4) 0.0669(19) Uani 1 1 d . . . . .
H9A H 0.060750 0.168692 0.707516 0.080 Uiso 1 1 calc R . . . .
H9B H 0.111400 0.197607 0.802484 0.080 Uiso 1 1 calc R . . . .
C10 C 0.2443(4) 0.2468(2) 0.7216(4) 0.0493(13) Uani 1 1 d . . . . .
H10A H 0.313228 0.237417 0.710692 0.074 Uiso 1 1 calc GR . . . .
H10B H 0.241014 0.249875 0.791146 0.074 Uiso 1 1 calc GR . . . .
H10C H 0.228038 0.275988 0.689682 0.074 Uiso 1 1 calc GR . . . .
C11 C 0.0220(4) 0.18682(16) 0.3138(4) 0.0370(10) Uani 1 1 d . . . . .
C26A C -0.0044(9) 0.0786(3) 0.2201(8) 0.069(7) Uani 0.331(8) 1 d . . P A 2
H26A H -0.044422 0.104349 0.232084 0.083 Uiso 0.331(8) 1 calc R . P A 2
C21A C 0.0769(10) 0.0656(4) 0.2874(7) 0.041(4) Uani 0.331(8) 1 d DG U P A 2
C22A C 0.1354(8) 0.0280(5) 0.2698(9) 0.071(7) Uani 0.331(8) 1 d G . P A 2
H22A H 0.190954 0.019148 0.315811 0.085 Uiso 0.331(8) 1 calc R . P A 2
C23A C 0.1125(10) 0.0034(4) 0.1848(10) 0.076(7) Uani 0.331(8) 1 d G . P A 2
H23A H 0.152521 -0.022344 0.172806 0.091 Uiso 0.331(8) 1 calc R . P A 2
C24A C 0.0312(11) 0.0164(4) 0.1175(8) 0.084(7) Uani 0.331(8) 1 d G U P A 2
H24A H 0.015617 -0.000490 0.059439 0.101 Uiso 0.331(8) 1 calc R . P A 2
C25A C -0.0273(9) 0.0540(4) 0.1351(7) 0.039(4) Uani 0.331(8) 1 d G . P A 2
H25A H -0.082855 0.062857 0.089077 0.047 Uiso 0.331(8) 1 calc R . P A 2
C101 C 0.1071(3) 0.28384(15) 0.2677(3) 0.0303(9) Uani 1 1 d . . . . .
C102 C 0.0726(4) 0.29944(19) 0.1754(4) 0.0463(12) Uani 1 1 d . . . . .
H102 H 0.108165 0.291347 0.122685 0.056 Uiso 1 1 calc R . . . .
C103 C -0.0137(5) 0.3268(2) 0.1596(5) 0.0551(15) Uani 1 1 d . . . . .
H103 H -0.037912 0.336292 0.095732 0.066 Uiso 1 1 calc R . . . .
C104 C -0.0638(4) 0.34016(18) 0.2347(5) 0.0506(14) Uani 1 1 d . . . . .
H104 H -0.122425 0.359018 0.223384 0.061 Uiso 1 1 calc R . . . .
C105 C -0.0292(5) 0.32626(17) 0.3266(5) 0.0491(14) Uani 1 1 d . . . . .
H105 H -0.063144 0.336106 0.379228 0.059 Uiso 1 1 calc R . . . .
C106 C 0.0556(4) 0.29771(17) 0.3437(4) 0.0388(11) Uani 1 1 d . . . . .
H106 H 0.078119 0.287751 0.407597 0.047 Uiso 1 1 calc R . . . .
C111 C 0.2709(3) 0.24032(16) 0.1840(3) 0.0322(9) Uani 1 1 d . . . . .
C112 C 0.2151(4) 0.2208(2) 0.1036(3) 0.0447(12) Uani 1 1 d . . . . .
H112 H 0.149679 0.208202 0.108608 0.054 Uiso 1 1 calc R . . . .
C113 C 0.2549(5) 0.2197(2) 0.0155(4) 0.0546(15) Uani 1 1 d . . . . .
H113 H 0.215503 0.207110 -0.039699 0.066 Uiso 1 1 calc R . . . .
C114 C 0.3502(5) 0.2366(2) 0.0076(4) 0.0531(14) Uani 1 1 d . . . . .
H114 H 0.375613 0.236954 -0.053311 0.064 Uiso 1 1 calc R . . . .
C115 C 0.4081(4) 0.2530(2) 0.0875(4) 0.0514(14) Uani 1 1 d . . . . .
H115 H 0.475749 0.263034 0.082968 0.062 Uiso 1 1 calc R . . . .
C116 C 0.3693(4) 0.25516(19) 0.1763(4) 0.0416(11) Uani 1 1 d . . . . .
H116 H 0.410392 0.266841 0.231494 0.050 Uiso 1 1 calc R . . . .
C121 C 0.3015(3) 0.27937(17) 0.3757(3) 0.0335(9) Uani 1 1 d . . . . .
C122 C 0.3200(5) 0.32386(18) 0.3472(4) 0.0477(13) Uani 1 1 d . . . . .
H122 H 0.287439 0.335138 0.287418 0.057 Uiso 1 1 calc R . . . .
C123 C 0.3864(5) 0.3516(2) 0.4069(5) 0.0578(15) Uani 1 1 d . . . . .
H123 H 0.399355 0.381691 0.387074 0.069 Uiso 1 1 calc R . . . .
C124 C 0.4332(5) 0.3357(2) 0.4941(4) 0.0524(14) Uani 1 1 d . . . . .
H124 H 0.478023 0.354832 0.534557 0.063 Uiso 1 1 calc R . . . .
C125 C 0.4149(4) 0.2921(2) 0.5225(4) 0.0472(13) Uani 1 1 d . . . . .
H125 H 0.447408 0.281244 0.582766 0.057 Uiso 1 1 calc R . . . .
C126 C 0.3493(3) 0.26363(18) 0.4641(3) 0.0358(10) Uani 1 1 d . . . . .
H126 H 0.337196 0.233570 0.484486 0.043 Uiso 1 1 calc R . . . .
C201 C 0.0195(5) 0.1023(2) 0.4993(5) 0.0603(16) Uani 1 1 d . . . . .
C202 C -0.0547(5) 0.1325(2) 0.4982(5) 0.0599(16) Uani 1 1 d . . . . .
H202 H -0.057772 0.156355 0.452222 0.072 Uiso 1 1 calc R . . . .
C203 C -0.1281(5) 0.1308(3) 0.5612(5) 0.0671(18) Uani 1 1 d . . . . .
H203 H -0.184017 0.151289 0.551883 0.081 Uiso 1 1 calc R . . . .
C204 C -0.1230(8) 0.1021(3) 0.6330(7) 0.088(3) Uani 1 1 d . . . . .
H204 H -0.173429 0.102107 0.676148 0.106 Uiso 1 1 calc R . . . .
C205 C -0.0425(8) 0.0716(3) 0.6450(6) 0.090(3) Uani 1 1 d . . . . .
H205 H -0.036203 0.050748 0.697351 0.108 Uiso 1 1 calc R . . . .
C206 C 0.0300(7) 0.0719(3) 0.5784(5) 0.075(2) Uani 1 1 d . . . . .
H206 H 0.086270 0.051569 0.586776 0.090 Uiso 1 1 calc R . . . .
C211 C 0.0419(6) 0.0649(2) 0.3171(6) 0.0348(15) Uani 0.669(8) 1 d D U P A 1
C212 C 0.0880(10) 0.0494(4) 0.2463(8) 0.070(3) Uani 0.669(8) 1 d . U P A 1
H212 H 0.159328 0.054161 0.247327 0.084 Uiso 0.669(8) 1 calc R . P A 1
C213 C 0.0355(12) 0.0262(5) 0.1700(9) 0.089(4) Uani 0.669(8) 1 d . U P A 1
H213 H 0.070452 0.019675 0.115872 0.107 Uiso 0.669(8) 1 calc R . P A 1
C214 C -0.0563(9) 0.0131(3) 0.1670(7) 0.071(3) Uani 0.669(8) 1 d . U P A 1
H214 H -0.086518 -0.006504 0.117485 0.086 Uiso 0.669(8) 1 calc R . P A 1
C215 C -0.1124(10) 0.0293(5) 0.2422(10) 0.108(5) Uani 0.669(8) 1 d . U P A 1
H215 H -0.183690 0.023521 0.237729 0.130 Uiso 0.669(8) 1 calc R . P A 1
C216 C -0.0640(8) 0.0535(4) 0.3227(8) 0.072(3) Uani 0.669(8) 1 d . U P A 1
H216 H -0.098339 0.061751 0.376188 0.086 Uiso 0.669(8) 1 calc R . P A 1
C221 C 0.2052(5) 0.06479(17) 0.4713(4) 0.0490(14) Uani 1 1 d . . . . .
C222 C 0.1939(7) 0.0179(3) 0.4707(7) 0.101(3) Uani 1 1 d . . . . .
H222 H 0.136774 0.004486 0.433055 0.121 Uiso 1 1 calc R . . . .
C223 C 0.2654(9) -0.0098(3) 0.5247(8) 0.127(5) Uani 1 1 d . . . . .
H223 H 0.257241 -0.041832 0.522651 0.152 Uiso 1 1 calc R . . . .
C224 C 0.3472(7) 0.0091(3) 0.5805(6) 0.085(3) Uani 1 1 d . . . . .
H224 H 0.394667 -0.009685 0.618940 0.102 Uiso 1 1 calc R . . . .
C225 C 0.3607(5) 0.0565(2) 0.5807(4) 0.0514(14) Uani 1 1 d . . . . .
H225 H 0.420621 0.069816 0.613805 0.062 Uiso 1 1 calc R . . . .
C226 C 0.2854(4) 0.08339(17) 0.5320(4) 0.0374(10) Uani 1 1 d . . . . .
H226 H 0.288788 0.115375 0.540329 0.045 Uiso 1 1 calc R . . . .
C301 C 0.3648(4) 0.01899(17) 0.1643(4) 0.0405(11) Uani 1 1 d . . . . .
C302 C 0.3759(6) 0.0095(3) 0.2646(5) 0.073(2) Uani 1 1 d . . . . .
H302 H 0.381510 0.033695 0.310085 0.087 Uiso 1 1 calc R . . . .
C303 C 0.3785(7) -0.0360(4) 0.2969(7) 0.098(3) Uani 1 1 d . . . . .
H303 H 0.389434 -0.042967 0.363925 0.118 Uiso 1 1 calc R . . . .
C304 C 0.3644(7) -0.0711(3) 0.2264(7) 0.082(3) Uani 1 1 d . . . . .
H304 H 0.359540 -0.101753 0.246511 0.098 Uiso 1 1 calc R . . . .
C305 C 0.3585(8) -0.0622(3) 0.1403(8) 0.101(3) Uani 1 1 d . . . . .
H305 H 0.356479 -0.086693 0.095878 0.121 Uiso 1 1 calc R . . . .
C306 C 0.3545(6) -0.0173(2) 0.1026(6) 0.075(2) Uani 1 1 d . . . . .
H306 H 0.344762 -0.012505 0.034688 0.090 Uiso 1 1 calc R . . . .
C311 C 0.4976(4) 0.09354(19) 0.1252(4) 0.0462(12) Uani 1 1 d . . . . .
C312 C 0.5771(7) 0.0627(4) 0.1458(9) 0.114(4) Uani 1 1 d . . . . .
H312 H 0.566484 0.032064 0.163227 0.137 Uiso 1 1 calc R . . . .
C313 C 0.6751(9) 0.0808(7) 0.1387(16) 0.227(11) Uani 1 1 d . . . . .
H313 H 0.729052 0.059279 0.142088 0.273 Uiso 1 1 calc R . . . .
C314 C 0.7006(9) 0.1214(5) 0.1285(10) 0.115(4) Uani 1 1 d . . . . .
H314 H 0.769420 0.131353 0.140558 0.138 Uiso 1 1 calc R . . . .
C315 C 0.6216(12) 0.1501(5) 0.0989(8) 0.154(7) Uani 1 1 d . . . . .
H315 H 0.635948 0.179128 0.074229 0.185 Uiso 1 1 calc R . . . .
C316 C 0.5170(8) 0.1372(3) 0.1041(8) 0.111(4) Uani 1 1 d . . . . .
H316 H 0.463336 0.158774 0.093014 0.133 Uiso 1 1 calc R . . . .
C321 C 0.3120(4) 0.07796(17) 0.0020(3) 0.0395(11) Uani 1 1 d . . . . .
C322 C 0.3665(6) 0.0620(2) -0.0686(4) 0.0602(17) Uani 1 1 d . . . . .
H322 H 0.433825 0.050796 -0.051563 0.072 Uiso 1 1 calc R . . . .
C323 C 0.3244(7) 0.0620(2) -0.1642(4) 0.075(2) Uani 1 1 d . . . . .
H323 H 0.362230 0.050238 -0.212367 0.090 Uiso 1 1 calc R . . . .
C324 C 0.2286(6) 0.0789(3) -0.1901(5) 0.075(2) Uani 1 1 d . . . . .
H324 H 0.200416 0.079298 -0.256137 0.090 Uiso 1 1 calc R . . . .
C325 C 0.1742(7) 0.0948(4) -0.1219(6) 0.093(3) Uani 1 1 d . . . . .
H325 H 0.107607 0.106563 -0.139992 0.112 Uiso 1 1 calc R . . . .
C326 C 0.2149(6) 0.0942(3) -0.0248(5) 0.075(2) Uani 1 1 d . . . . .
H326 H 0.175538 0.105124 0.023059 0.090 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Os1 H 89.3(19) . . ?
C1 Os1 P1 83.71(14) . . ?
C1 Os1 Ag1 52.30(12) . . ?
C1 Os1 P2 95.57(14) . . ?
P1 Os1 H 87(2) . . ?
P1 Os1 Ag1 90.81(3) . . ?
Ag1 Os1 H 37.8(19) . . ?
P2 Os1 H 92(2) . . ?
P2 Os1 P1 178.91(4) . . ?
P2 Os1 Ag1 88.09(3) . . ?
C6 Os1 H 177(2) . . ?
C6 Os1 C1 89.03(16) . . ?
C6 Os1 P1 94.20(11) . . ?
C6 Os1 Ag1 140.18(11) . . ?
C6 Os1 P2 86.60(12) . . ?
C11 Os1 H 85.4(19) . . ?
C11 Os1 C1 173.0(2) . . ?
C11 Os1 P1 91.65(15) . . ?
C11 Os1 Ag1 122.84(16) . . ?
C11 Os1 P2 88.99(15) . . ?
C11 Os1 C6 96.50(19) . . ?
Os1 C1 Ag1 80.84(15) . . ?
C2 C1 Os1 173.9(4) . . ?
C2 C1 Ag1 94.5(4) . . ?
C101 P1 Os1 113.38(14) . . ?
C101 P1 C111 103.3(2) . . ?
C111 P1 Os1 113.82(16) . . ?
C121 P1 Os1 120.14(16) . . ?
C121 P1 C101 100.2(2) . . ?
C121 P1 C111 103.9(2) . . ?
Os1 Ag1 H 33.4(17) . . ?
C1 Ag1 Os1 46.85(11) . . ?
C1 Ag1 H 79.6(17) . . ?
C1 Ag1 C2 26.84(15) . . ?
C1 Ag1 P3 139.42(12) . . ?
C2 Ag1 Os1 73.65(11) . . ?
C2 Ag1 H 105.9(17) . . ?
P3 Ag1 Os1 169.80(4) . . ?
P3 Ag1 H 140.8(17) . . ?
P3 Ag1 C2 113.25(11) . . ?
C1 C2 Ag1 58.6(3) . . ?
C1 C2 C3 174.2(6) . . ?
C3 C2 Ag1 126.7(4) . . ?
C21A P2 Os1 105.0(4) . . ?
C201 P2 Os1 116.33(19) . . ?
C201 P2 C21A 119.5(5) . . ?
C211 P2 Os1 117.2(2) . . ?
C211 P2 C201 100.1(4) . . ?
C211 P2 C221 103.7(3) . . ?
C221 P2 Os1 119.3(2) . . ?
C221 P2 C21A 99.4(4) . . ?
C221 P2 C201 96.8(3) . . ?
C2 C3 C5 116.3(7) . . ?
C4 C3 C2 120.6(8) . . ?
C4 C3 C5 123.0(7) . . ?
C301 P3 Ag1 113.30(16) . . ?
C311 P3 Ag1 111.83(17) . . ?
C311 P3 C301 106.0(3) . . ?
C321 P3 Ag1 116.50(17) . . ?
C321 P3 C301 104.3(2) . . ?
C321 P3 C311 103.9(3) . . ?
C3 C4 H4A 120.0 . . ?
C3 C4 H4B 120.0 . . ?
H4A C4 H4B 120.0 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 Os1 173.7(4) . . ?
C6 C7 C8 179.9(6) . . ?
C7 C8 C10 116.8(5) . . ?
C9 C8 C7 121.3(5) . . ?
C9 C8 C10 121.9(5) . . ?
C8 C9 H9A 120.0 . . ?
C8 C9 H9B 120.0 . . ?
H9A C9 H9B 120.0 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O1 C11 Os1 175.4(5) . . ?
C21A C26A H26A 120.0 . . ?
C21A C26A C25A 120.0 . . ?
C25A C26A H26A 120.0 . . ?
C26A C21A P2 119.4(6) . . ?
C22A C21A P2 120.6(6) . . ?
C22A C21A C26A 120.0 . . ?
C21A C22A H22A 120.0 . . ?
C21A C22A C23A 120.0 . . ?
C23A C22A H22A 120.0 . . ?
C22A C23A H23A 120.0 . . ?
C24A C23A C22A 120.0 . . ?
C24A C23A H23A 120.0 . . ?
C23A C24A H24A 120.0 . . ?
C23A C24A C25A 120.0 . . ?
C25A C24A H24A 120.0 . . ?
C26A C25A H25A 120.0 . . ?
C24A C25A C26A 120.0 . . ?
C24A C25A H25A 120.0 . . ?
C102 C101 P1 125.0(4) . . ?
C102 C101 C106 118.2(4) . . ?
C106 C101 P1 116.7(3) . . ?
C101 C102 H102 119.7 . . ?
C101 C102 C103 120.6(5) . . ?
C103 C102 H102 119.7 . . ?
C102 C103 H103 119.7 . . ?
C104 C103 C102 120.7(5) . . ?
C104 C103 H103 119.7 . . ?
C103 C104 H104 120.2 . . ?
C103 C104 C105 119.6(5) . . ?
C105 C104 H104 120.2 . . ?
C104 C105 H105 119.7 . . ?
C104 C105 C106 120.6(5) . . ?
C106 C105 H105 119.7 . . ?
C101 C106 C105 120.3(5) . . ?
C101 C106 H106 119.9 . . ?
C105 C106 H106 119.9 . . ?
C112 C111 P1 118.6(4) . . ?
C116 C111 P1 122.9(4) . . ?
C116 C111 C112 118.5(4) . . ?
C111 C112 H112 120.0 . . ?
C111 C112 C113 120.0(5) . . ?
C113 C112 H112 120.0 . . ?
C112 C113 H113 119.6 . . ?
C114 C113 C112 120.8(5) . . ?
C114 C113 H113 119.6 . . ?
C113 C114 H114 120.2 . . ?
C115 C114 C113 119.5(5) . . ?
C115 C114 H114 120.2 . . ?
C114 C115 H115 119.6 . . ?
C114 C115 C116 120.7(5) . . ?
C116 C115 H115 119.6 . . ?
C111 C116 C115 120.2(5) . . ?
C111 C116 H116 119.9 . . ?
C115 C116 H116 119.9 . . ?
C122 C121 P1 119.2(4) . . ?
C126 C121 P1 121.7(4) . . ?
C126 C121 C122 119.1(4) . . ?
C121 C122 H122 120.0 . . ?
C123 C122 C121 119.9(5) . . ?
C123 C122 H122 120.0 . . ?
C122 C123 H123 119.8 . . ?
C124 C123 C122 120.5(5) . . ?
C124 C123 H123 119.8 . . ?
C123 C124 H124 120.1 . . ?
C125 C124 C123 119.8(5) . . ?
C125 C124 H124 120.1 . . ?
C124 C125 H125 119.6 . . ?
C124 C125 C126 120.8(5) . . ?
C126 C125 H125 119.6 . . ?
C121 C126 C125 119.8(5) . . ?
C121 C126 H126 120.1 . . ?
C125 C126 H126 120.1 . . ?
C202 C201 P2 122.2(5) . . ?
C202 C201 C206 115.9(7) . . ?
C206 C201 P2 121.8(6) . . ?
C201 C202 H202 118.5 . . ?
C201 C202 C203 122.9(7) . . ?
C203 C202 H202 118.5 . . ?
C202 C203 H203 118.9 . . ?
C204 C203 C202 122.2(9) . . ?
C204 C203 H203 118.9 . . ?
C203 C204 H204 120.7 . . ?
C203 C204 C205 118.7(9) . . ?
C205 C204 H204 120.7 . . ?
C204 C205 H205 120.4 . . ?
C204 C205 C206 119.2(8) . . ?
C206 C205 H205 120.4 . . ?
C201 C206 H206 119.8 . . ?
C205 C206 C201 120.4(8) . . ?
C205 C206 H206 119.8 . . ?
C212 C211 P2 119.5(7) . . ?
C212 C211 C216 120.1(8) . . ?
C216 C211 P2 120.3(7) . . ?
C211 C212 H212 119.3 . . ?
C211 C212 C213 121.4(12) . . ?
C213 C212 H212 119.3 . . ?
C212 C213 H213 117.8 . . ?
C214 C213 C212 124.4(13) . . ?
C214 C213 H213 117.8 . . ?
C213 C214 H214 121.6 . . ?
C213 C214 C215 116.9(10) . . ?
C215 C214 H214 121.6 . . ?
C214 C215 H215 119.3 . . ?
C216 C215 C214 121.5(11) . . ?
C216 C215 H215 119.3 . . ?
C211 C216 H216 122.6 . . ?
C215 C216 C211 114.8(11) . . ?
C215 C216 H216 122.6 . . ?
C222 C221 P2 121.7(5) . . ?
C226 C221 P2 119.8(4) . . ?
C226 C221 C222 118.1(5) . . ?
C221 C222 H222 119.6 . . ?
C221 C222 C223 120.9(7) . . ?
C223 C222 H222 119.6 . . ?
C222 C223 H223 119.9 . . ?
C224 C223 C222 120.2(7) . . ?
C224 C223 H223 119.9 . . ?
C223 C224 H224 120.2 . . ?
C223 C224 C225 119.6(7) . . ?
C225 C224 H224 120.2 . . ?
C224 C225 H225 120.5 . . ?
C226 C225 C224 119.0(6) . . ?
C226 C225 H225 120.5 . . ?
C221 C226 H226 119.2 . . ?
C225 C226 C221 121.5(5) . . ?
C225 C226 H226 119.2 . . ?
C302 C301 P3 117.3(5) . . ?
C306 C301 P3 125.5(5) . . ?
C306 C301 C302 117.2(6) . . ?
C301 C302 H302 120.1 . . ?
C303 C302 C301 119.8(8) . . ?
C303 C302 H302 120.1 . . ?
C302 C303 H303 120.8 . . ?
C302 C303 C304 118.3(8) . . ?
C304 C303 H303 120.8 . . ?
C303 C304 H304 119.7 . . ?
C305 C304 C303 120.5(8) . . ?
C305 C304 H304 119.7 . . ?
C304 C305 H305 118.0 . . ?
C304 C305 C306 124.0(9) . . ?
C306 C305 H305 118.0 . . ?
C301 C306 C305 119.9(8) . . ?
C301 C306 H306 120.0 . . ?
C305 C306 H306 120.0 . . ?
C312 C311 P3 122.9(6) . . ?
C316 C311 P3 116.6(6) . . ?
C316 C311 C312 120.5(8) . . ?
C311 C312 H312 122.8 . . ?
C311 C312 C313 114.4(12) . . ?
C313 C312 H312 122.8 . . ?
C312 C313 H313 115.6 . . ?
C314 C313 C312 128.9(14) . . ?
C314 C313 H313 115.6 . . ?
C313 C314 H314 122.6 . . ?
C313 C314 C315 114.8(11) . . ?
C315 C314 H314 122.6 . . ?
C314 C315 H315 119.3 . . ?
C314 C315 C316 121.4(11) . . ?
C316 C315 H315 119.3 . . ?
C311 C316 C315 118.0(11) . . ?
C311 C316 H316 121.0 . . ?
C315 C316 H316 121.0 . . ?
C322 C321 P3 121.7(4) . . ?
C322 C321 C326 118.5(5) . . ?
C326 C321 P3 119.8(4) . . ?
C321 C322 H322 119.8 . . ?
C321 C322 C323 120.5(7) . . ?
C323 C322 H322 119.8 . . ?
C322 C323 H323 119.8 . . ?
C324 C323 C322 120.4(7) . . ?
C324 C323 H323 119.8 . . ?
C323 C324 H324 120.1 . . ?
C325 C324 C323 119.9(6) . . ?
C325 C324 H324 120.1 . . ?
C324 C325 H325 119.8 . . ?
C324 C325 C326 120.4(8) . . ?
C326 C325 H325 119.8 . . ?
C321 C326 C325 120.2(7) . . ?
C321 C326 H326 119.9 . . ?
C325 C326 H326 119.9 . . ?
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 H 1.66(6) . ?
Os1 C1 2.110(4) . ?
Os1 P1 2.3552(11) . ?
Os1 Ag1 2.8547(4) . ?
Os1 P2 2.3504(12) . ?
Os1 C6 2.070(4) . ?
Os1 C11 1.881(5) . ?
O1 C11 1.142(6) . ?
C1 Ag1 2.288(5) . ?
C1 C2 1.210(7) . ?
P1 C101 1.835(5) . ?
P1 C111 1.836(4) . ?
P1 C121 1.835(5) . ?
Ag1 H 1.85(6) . ?
Ag1 C2 2.672(5) . ?
Ag1 P3 2.3531(12) . ?
C2 C3 1.442(7) . ?
P2 C21A 1.971(8) . ?
P2 C201 1.869(7) . ?
P2 C211 1.804(6) . ?
P2 C221 1.822(5) . ?
C3 C4 1.355(12) . ?
C3 C5 1.457(12) . ?
P3 C301 1.825(5) . ?
P3 C311 1.811(6) . ?
P3 C321 1.809(5) . ?
C4 H4A 0.9500 . ?
C4 H4B 0.9500 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.198(6) . ?
C7 C8 1.444(6) . ?
C8 C9 1.336(8) . ?
C8 C10 1.487(7) . ?
C9 H9A 0.9500 . ?
C9 H9B 0.9500 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C26A H26A 0.9500 . ?
C26A C21A 1.3900 . ?
C26A C25A 1.3900 . ?
C21A C22A 1.3900 . ?
C22A H22A 0.9500 . ?
C22A C23A 1.3900 . ?
C23A H23A 0.9500 . ?
C23A C24A 1.3900 . ?
C24A H24A 0.9500 . ?
C24A C25A 1.3900 . ?
C25A H25A 0.9500 . ?
C101 C102 1.388(7) . ?
C101 C106 1.388(6) . ?
C102 H102 0.9500 . ?
C102 C103 1.390(8) . ?
C103 H103 0.9500 . ?
C103 C104 1.363(9) . ?
C104 H104 0.9500 . ?
C104 C105 1.368(9) . ?
C105 H105 0.9500 . ?
C105 C106 1.397(7) . ?
C106 H106 0.9500 . ?
C111 C112 1.388(7) . ?
C111 C116 1.387(7) . ?
C112 H112 0.9500 . ?
C112 C113 1.393(7) . ?
C113 H113 0.9500 . ?
C113 C114 1.369(9) . ?
C114 H114 0.9500 . ?
C114 C115 1.360(8) . ?
C115 H115 0.9500 . ?
C115 C116 1.397(7) . ?
C116 H116 0.9500 . ?
C121 C122 1.400(7) . ?
C121 C126 1.392(6) . ?
C122 H122 0.9500 . ?
C122 C123 1.396(8) . ?
C123 H123 0.9500 . ?
C123 C124 1.377(9) . ?
C124 H124 0.9500 . ?
C124 C125 1.375(8) . ?
C125 H125 0.9500 . ?
C125 C126 1.395(7) . ?
C126 H126 0.9500 . ?
C201 C202 1.321(9) . ?
C201 C206 1.413(9) . ?
C202 H202 0.9500 . ?
C202 C203 1.385(9) . ?
C203 H203 0.9500 . ?
C203 C204 1.306(11) . ?
C204 H204 0.9500 . ?
C204 C205 1.385(13) . ?
C205 H205 0.9500 . ?
C205 C206 1.413(12) . ?
C206 H206 0.9500 . ?
C211 C212 1.304(14) . ?
C211 C216 1.449(13) . ?
C212 H212 0.9500 . ?
C212 C213 1.376(13) . ?
C213 H213 0.9500 . ?
C213 C214 1.268(17) . ?
C214 H214 0.9500 . ?
C214 C215 1.435(18) . ?
C215 H215 0.9500 . ?
C215 C216 1.415(14) . ?
C216 H216 0.9500 . ?
C221 C222 1.391(9) . ?
C221 C226 1.384(7) . ?
C222 H222 0.9500 . ?
C222 C223 1.395(11) . ?
C223 H223 0.9500 . ?
C223 C224 1.370(11) . ?
C224 H224 0.9500 . ?
C224 C225 1.409(10) . ?
C225 H225 0.9500 . ?
C225 C226 1.382(7) . ?
C226 H226 0.9500 . ?
C301 C302 1.415(9) . ?
C301 C306 1.368(9) . ?
C302 H302 0.9500 . ?
C302 C303 1.415(12) . ?
C303 H303 0.9500 . ?
C303 C304 1.423(14) . ?
C304 H304 0.9500 . ?
C304 C305 1.221(12) . ?
C305 H305 0.9500 . ?
C305 C306 1.422(11) . ?
C306 H306 0.9500 . ?
C311 C312 1.392(11) . ?
C311 C316 1.352(10) . ?
C312 H312 0.9500 . ?
C312 C313 1.413(15) . ?
C313 H313 0.9500 . ?
C313 C314 1.26(2) . ?
C314 H314 0.9500 . ?
C314 C315 1.366(18) . ?
C315 H315 0.9500 . ?
C315 C316 1.442(16) . ?
C316 H316 0.9500 . ?
C321 C322 1.372(8) . ?
C321 C326 1.375(8) . ?
C322 H322 0.9500 . ?
C322 C323 1.379(8) . ?
C323 H323 0.9500 . ?
C323 C324 1.364(11) . ?
C324 H324 0.9500 . ?
C324 C325 1.343(12) . ?
C325 H325 0.9500 . ?
C325 C326 1.393(10) . ?
C326 H326 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Os1 P1 C101 C102 -112.9(4) . . . . ?
Os1 P1 C101 C106 64.0(4) . . . . ?
Os1 P1 C111 C112 56.6(4) . . . . ?
Os1 P1 C111 C116 -121.5(4) . . . . ?
Os1 P1 C121 C122 -170.6(4) . . . . ?
Os1 P1 C121 C126 7.9(5) . . . . ?
Os1 P2 C201 C202 37.3(7) . . . . ?
Os1 P2 C201 C206 -139.0(5) . . . . ?
Os1 P2 C211 C212 64.9(9) . . . . ?
Os1 P2 C211 C216 -113.4(7) . . . . ?
Os1 P2 C221 C222 -153.3(7) . . . . ?
Os1 P2 C221 C226 34.0(6) . . . . ?
P1 C101 C102 C103 174.4(5) . . . . ?
P1 C101 C106 C105 -176.5(4) . . . . ?
P1 C111 C112 C113 176.8(5) . . . . ?
P1 C111 C116 C115 -178.0(4) . . . . ?
P1 C121 C122 C123 179.2(5) . . . . ?
P1 C121 C126 C125 -178.9(4) . . . . ?
Ag1 C2 C3 C4 -80.9(10) . . . . ?
Ag1 C2 C3 C5 100.1(8) . . . . ?
Ag1 P3 C301 C302 -35.7(5) . . . . ?
Ag1 P3 C301 C306 144.1(5) . . . . ?
Ag1 P3 C311 C312 125.2(7) . . . . ?
Ag1 P3 C311 C316 -53.2(7) . . . . ?
Ag1 P3 C321 C322 161.4(5) . . . . ?
Ag1 P3 C321 C326 -18.0(6) . . . . ?
P2 C21A C22A C23A -178.6(10) . . . . ?
P2 C201 C202 C203 173.9(5) . . . . ?
P2 C201 C206 C205 -176.9(6) . . . . ?
P2 C211 C212 C213 -171.1(11) . . . . ?
P2 C211 C216 C215 172.2(10) . . . . ?
P2 C221 C222 C223 -177.1(9) . . . . ?
P2 C221 C226 C225 -178.2(5) . . . . ?
P3 C301 C302 C303 -178.6(6) . . . . ?
P3 C301 C306 C305 178.3(6) . . . . ?
P3 C311 C312 C313 179.3(10) . . . . ?
P3 C311 C316 C315 -178.5(8) . . . . ?
P3 C321 C322 C323 -179.9(6) . . . . ?
P3 C321 C326 C325 178.7(7) . . . . ?
C26A C21A C22A C23A 0.0 . . . . ?
C21A P2 C201 C202 -90.4(7) . . . . ?
C21A P2 C201 C206 93.3(7) . . . . ?
C21A P2 C221 C222 -40.2(9) . . . . ?
C21A P2 C221 C226 147.2(6) . . . . ?
C21A C26A C25A C24A 0.0 . . . . ?
C21A C22A C23A C24A 0.0 . . . . ?
C22A C23A C24A C25A 0.0 . . . . ?
C23A C24A C25A C26A 0.0 . . . . ?
C25A C26A C21A P2 178.7(10) . . . . ?
C25A C26A C21A C22A 0.0 . . . . ?
C101 P1 C111 C112 -66.8(4) . . . . ?
C101 P1 C111 C116 115.1(4) . . . . ?
C101 P1 C121 C122 -45.9(5) . . . . ?
C101 P1 C121 C126 132.7(4) . . . . ?
C101 C102 C103 C104 2.4(9) . . . . ?
C102 C101 C106 C105 0.6(8) . . . . ?
C102 C103 C104 C105 -0.4(10) . . . . ?
C103 C104 C105 C106 -1.4(9) . . . . ?
C104 C105 C106 C101 1.3(8) . . . . ?
C106 C101 C102 C103 -2.4(8) . . . . ?
C111 P1 C101 C102 10.8(5) . . . . ?
C111 P1 C101 C106 -172.3(4) . . . . ?
C111 P1 C121 C122 60.7(5) . . . . ?
C111 P1 C121 C126 -120.7(4) . . . . ?
C111 C112 C113 C114 1.8(10) . . . . ?
C112 C111 C116 C115 4.0(8) . . . . ?
C112 C113 C114 C115 2.7(10) . . . . ?
C113 C114 C115 C116 -3.8(10) . . . . ?
C114 C115 C116 C111 0.4(9) . . . . ?
C116 C111 C112 C113 -5.1(8) . . . . ?
C121 P1 C101 C102 117.8(5) . . . . ?
C121 P1 C101 C106 -65.3(4) . . . . ?
C121 P1 C111 C112 -171.0(4) . . . . ?
C121 P1 C111 C116 11.0(5) . . . . ?
C121 C122 C123 C124 -0.6(10) . . . . ?
C122 C121 C126 C125 -0.3(7) . . . . ?
C122 C123 C124 C125 0.4(10) . . . . ?
C123 C124 C125 C126 -0.1(9) . . . . ?
C124 C125 C126 C121 0.0(8) . . . . ?
C126 C121 C122 C123 0.6(8) . . . . ?
C201 P2 C211 C212 -168.4(8) . . . . ?
C201 P2 C211 C216 13.4(8) . . . . ?
C201 P2 C221 C222 81.3(8) . . . . ?
C201 P2 C221 C226 -91.3(5) . . . . ?
C201 C202 C203 C204 7.5(12) . . . . ?
C202 C201 C206 C205 6.6(10) . . . . ?
C202 C203 C204 C205 -1.5(13) . . . . ?
C203 C204 C205 C206 -1.3(13) . . . . ?
C204 C205 C206 C201 -1.3(12) . . . . ?
C206 C201 C202 C203 -9.6(11) . . . . ?
C211 P2 C201 C202 -90.0(6) . . . . ?
C211 P2 C201 C206 93.7(6) . . . . ?
C211 P2 C221 C222 -20.9(8) . . . . ?
C211 P2 C221 C226 166.5(6) . . . . ?
C211 C212 C213 C214 -9(2) . . . . ?
C212 C211 C216 C215 -6.1(17) . . . . ?
C212 C213 C214 C215 9(2) . . . . ?
C213 C214 C215 C216 -8(2) . . . . ?
C214 C215 C216 C211 7(2) . . . . ?
C216 C211 C212 C213 7.1(18) . . . . ?
C221 P2 C201 C202 164.8(6) . . . . ?
C221 P2 C201 C206 -11.5(6) . . . . ?
C221 P2 C211 C212 -68.8(9) . . . . ?
C221 P2 C211 C216 112.9(7) . . . . ?
C221 C222 C223 C224 1(2) . . . . ?
C222 C221 C226 C225 8.9(10) . . . . ?
C222 C223 C224 C225 -2.1(18) . . . . ?
C223 C224 C225 C226 6.4(13) . . . . ?
C224 C225 C226 C221 -10.0(10) . . . . ?
C226 C221 C222 C223 -4.3(15) . . . . ?
C301 P3 C311 C312 1.3(7) . . . . ?
C301 P3 C311 C316 -177.1(6) . . . . ?
C301 P3 C321 C322 -72.9(6) . . . . ?
C301 P3 C321 C326 107.7(6) . . . . ?
C301 C302 C303 C304 -3.3(12) . . . . ?
C302 C301 C306 C305 -1.9(11) . . . . ?
C302 C303 C304 C305 5.8(14) . . . . ?
C303 C304 C305 C306 -6.6(16) . . . . ?
C304 C305 C306 C301 4.8(15) . . . . ?
C306 C301 C302 C303 1.6(10) . . . . ?
C311 P3 C301 C302 87.3(5) . . . . ?
C311 P3 C301 C306 -92.9(6) . . . . ?
C311 P3 C321 C322 38.0(6) . . . . ?
C311 P3 C321 C326 -141.5(6) . . . . ?
C311 C312 C313 C314 10(3) . . . . ?
C312 C311 C316 C315 3.1(14) . . . . ?
C312 C313 C314 C315 -16(3) . . . . ?
C313 C314 C315 C316 16(2) . . . . ?
C314 C315 C316 C311 -9.9(19) . . . . ?
C316 C311 C312 C313 -2.3(16) . . . . ?
C321 P3 C301 C302 -163.4(5) . . . . ?
C321 P3 C301 C306 16.5(6) . . . . ?
C321 P3 C311 C312 -108.3(7) . . . . ?
C321 P3 C311 C316 73.3(7) . . . . ?
C321 C322 C323 C324 1.4(12) . . . . ?
C322 C321 C326 C325 -0.8(12) . . . . ?
C322 C323 C324 C325 -1.1(13) . . . . ?
C323 C324 C325 C326 -0.1(15) . . . . ?
C324 C325 C326 C321 1.0(15) . . . . ?
C326 C321 C322 C323 -0.4(10) . . . . ?
