#------------------------------------------------------------------------------
#$Date: 2024-04-05 02:07:00 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290887 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/82/7248222.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_7248222
loop_
_publ_author_name
'Yao, Sheng-Jie'
'Qi, Zhen-Qing'
'Jiang, Zhan-Guo'
'Zhan, Cai-Hong'
_publ_section_title
;
 Polyoxometalate templated silver-bisphosphine sandwich: structurally
 tunable hybrid materials
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              1798
_journal_page_last               1805
_journal_paper_doi               10.1039/D4CE00106K
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C58 H58 Ag2 N2 P4, Mo6 O19'
_chemical_formula_sum            'C58 H58 Ag2 Mo6 N2 O19 P4'
_chemical_formula_weight         2002.32
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-10-05
_audit_creation_method
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6392)
;
_audit_update_record
;
2024-01-17 deposited with the CCDC.	2024-02-26 downloaded from the CCDC.
;
_cell_angle_alpha                109.407(3)
_cell_angle_beta                 96.054(3)
_cell_angle_gamma                115.217(3)
_cell_formula_units_Z            1
_cell_length_a                   11.6266(10)
_cell_length_b                   12.7787(12)
_cell_length_c                   13.6690(13)
_cell_measurement_reflns_used    9862
_cell_measurement_temperature    293.0
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      3.03
_cell_volume                     1658.7(3)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293.0
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'BRUKER D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26690
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.401
_diffrn_reflns_theta_min         2.210
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.840
_exptl_absorpt_correction_T_max  0.7449
_exptl_absorpt_correction_T_min  0.6366
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0787 before and 0.0445 after correction.
The Ratio of minimum to maximum transmission is 0.8546.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.005
_exptl_crystal_description       needle
_exptl_crystal_F_000             978
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.102
_refine_diff_density_min         -0.906
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     413
_refine_ls_number_reflns         6723
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.165
_refine_ls_R_factor_all          0.0280
_refine_ls_R_factor_gt           0.0238
_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)+(0.0382P)²+0.6242P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0668
_refine_ls_wR_factor_ref         0.0762
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6106
_reflns_number_total             6723
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00106k2.cif
_cod_data_source_block           4567_a
_cod_depositor_comments
'Adding full bibliography for 7248221--7248224.cif.'
_cod_database_code               7248222
_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   0.867
_shelx_estimated_absorpt_t_min   0.710
_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.a Secondary CH2 refined with riding coordinates:
 C25(H25A,H25B), C26(H26A,H26B), C27(H27A,H27B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C11(H11),
 C12(H12), C13(H13), C14(H14), C15(H15), C17(H17), C18(H18), C19(H19), C20(H20),
  C21(H21), C23(H23), C24(H24)
2.c Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
Ag1 Ag 0.48390(2) 0.99486(2) 0.71237(2) 0.04338(8) Uani 1 1 d . . . . .
P1 P 0.24801(6) 0.88110(6) 0.62978(5) 0.02878(14) Uani 1 1 d . . . . .
P2 P 0.29810(7) 0.82065(6) 0.21433(5) 0.02982(14) Uani 1 1 d . . . . .
N1 N 0.4827(5) 0.9031(6) 0.8551(5) 0.1172(19) Uani 1 1 d . . . . .
C1 C -0.0029(3) 0.6360(4) 0.7888(3) 0.0520(8) Uani 1 1 d . . . . .
H1 H -0.054864 0.587141 0.820911 0.062 Uiso 1 1 calc R U . . .
C2 C 0.0278(4) 0.5799(3) 0.6995(3) 0.0586(9) Uani 1 1 d . . . . .
H2 H -0.002088 0.492815 0.671695 0.070 Uiso 1 1 calc R U . . .
C3 C 0.1039(3) 0.6521(3) 0.6493(3) 0.0468(7) Uani 1 1 d . . . . .
H3 H 0.124181 0.613029 0.588295 0.056 Uiso 1 1 calc R U . . .
C4 C 0.1485(2) 0.7805(2) 0.6903(2) 0.0301(5) Uani 1 1 d . . . . .
C5 C 0.1171(4) 0.8353(3) 0.7812(3) 0.0549(9) Uani 1 1 d . . . . .
H5 H 0.146701 0.922331 0.809909 0.066 Uiso 1 1 calc R U . . .
C6 C 0.0425(4) 0.7631(4) 0.8305(3) 0.0633(10) Uani 1 1 d . . . . .
H6 H 0.023560 0.801868 0.892445 0.076 Uiso 1 1 calc R U . . .
C7 C 0.0803(5) 1.1529(4) 0.6581(3) 0.0624(10) Uani 1 1 d . . . . .
H7 H 0.046736 1.208456 0.665197 0.075 Uiso 1 1 calc R U . . .
C8 C -0.0047(4) 1.0258(4) 0.6254(3) 0.0562(9) Uani 1 1 d . . . . .
H8 H -0.095762 0.995334 0.610209 0.067 Uiso 1 1 calc R U . . .
C9 C 0.0445(3) 0.9426(3) 0.6147(2) 0.0421(6) Uani 1 1 d . . . . .
H9 H -0.013912 0.856224 0.591908 0.050 Uiso 1 1 calc R U . . .
C10 C 0.1800(3) 0.9870(3) 0.6378(2) 0.0332(5) Uani 1 1 d . . . . .
C11 C 0.2657(4) 1.1159(3) 0.6706(3) 0.0491(7) Uani 1 1 d . . . . .
H11 H 0.356896 1.147183 0.685859 0.059 Uiso 1 1 calc R U . . .
C12 C 0.2143(5) 1.1987(3) 0.6806(3) 0.0648(11) Uani 1 1 d . . . . .
H12 H 0.271470 1.285185 0.702518 0.078 Uiso 1 1 calc R U . . .
C13 C -0.0252(4) 0.9009(4) 0.0912(3) 0.0578(9) Uani 1 1 d . . . . .
H13 H -0.089955 0.918365 0.067148 0.069 Uiso 1 1 calc R U . . .
C14 C 0.1004(4) 0.9983(4) 0.1478(3) 0.0545(8) Uani 1 1 d . . . . .
H14 H 0.121583 1.081754 0.161976 0.065 Uiso 1 1 calc R U . . .
C15 C 0.1971(3) 0.9719(3) 0.1843(2) 0.0415(6) Uani 1 1 d . . . . .
H15 H 0.282793 1.038373 0.223298 0.050 Uiso 1 1 calc R U . . .
C16 C 0.1674(3) 0.8479(3) 0.1633(2) 0.0328(5) Uani 1 1 d . . . . .
C17 C 0.0384(3) 0.7491(3) 0.1057(2) 0.0448(7) Uani 1 1 d . . . . .
H17 H 0.015930 0.665321 0.091396 0.054 Uiso 1 1 calc R U . . .
C18 C -0.0571(3) 0.7780(4) 0.0695(3) 0.0553(9) Uani 1 1 d . . . . .
H18 H -0.143279 0.712625 0.030212 0.066 Uiso 1 1 calc R U . . .
C19 C 0.3252(5) 0.5232(4) -0.0696(4) 0.0794(13) Uani 1 1 d . . . . .
H19 H 0.335346 0.466008 -0.126345 0.095 Uiso 1 1 calc R U . . .
C20 C 0.3650(5) 0.5378(4) 0.0345(4) 0.0673(10) Uani 1 1 d . . . . .
H20 H 0.400969 0.489659 0.047953 0.081 Uiso 1 1 calc R U . . .
C21 C 0.3519(3) 0.6240(3) 0.1197(3) 0.0479(7) Uani 1 1 d . . . . .
H21 H 0.379921 0.634083 0.190152 0.057 Uiso 1 1 calc R U . . .
C22 C 0.2970(3) 0.6952(3) 0.1003(2) 0.0371(6) Uani 1 1 d . . . . .
C23 C 0.2569(4) 0.6792(4) -0.0055(3) 0.0613(10) Uani 1 1 d . . . . .
H23 H 0.220633 0.726713 -0.019726 0.074 Uiso 1 1 calc R U . . .
C24 C 0.2707(5) 0.5925(5) -0.0900(3) 0.0812(14) Uani 1 1 d . . . . .
H24 H 0.242831 0.581515 -0.160768 0.097 Uiso 1 1 calc R U . . .
C25 C 0.2358(3) 0.7455(3) 0.3049(2) 0.0369(6) Uani 1 1 d . . . . .
H25A H 0.141258 0.686513 0.273131 0.044 Uiso 1 1 calc R U . . .
H25B H 0.279179 0.696957 0.311482 0.044 Uiso 1 1 calc R U . . .
C26 C 0.2598(3) 0.8421(2) 0.4174(2) 0.0321(5) Uani 1 1 d . . . . .
H26A H 0.222745 0.895479 0.411020 0.039 Uiso 1 1 calc R U . . .
H26B H 0.354537 0.896352 0.452356 0.039 Uiso 1 1 calc R U . . .
C27 C 0.1956(3) 0.7744(2) 0.4866(2) 0.0303(5) Uani 1 1 d . . . . .
H27A H 0.217882 0.707707 0.479426 0.036 Uiso 1 1 calc R U . . .
H27B H 0.099832 0.734284 0.459185 0.036 Uiso 1 1 calc R U . . .
C28 C 0.5993(6) 0.8472(7) 0.9846(7) 0.135(3) Uani 1 1 d . . . . .
H28A H 0.573233 0.865055 1.049888 0.203 Uiso 1 1 calc R U . . .
H28B H 0.693933 0.897735 1.001639 0.203 Uiso 1 1 calc R U . . .
H28C H 0.573731 0.758482 0.951376 0.203 Uiso 1 1 calc R U . . .
C29 C 0.5315(5) 0.8793(6) 0.9069(5) 0.0906(16) Uani 1 1 d . . . . .
Mo1 Mo 0.38889(3) 0.42313(2) 0.31921(2) 0.04373(8) Uani 1 1 d . . . . .
Mo2 Mo 0.29994(2) 0.44449(2) 0.54160(2) 0.04081(8) Uani 1 1 d . . . . .
Mo3 Mo 0.52695(2) 0.69936(2) 0.52892(2) 0.03614(7) Uani 1 1 d . . . . .
O1 O 0.3127(3) 0.3670(3) 0.1871(2) 0.0742(8) Uani 1 1 d . . . . .
O2 O 0.4004(2) 0.28050(19) 0.32905(17) 0.0447(5) Uani 1 1 d . . . . .
O3 O 0.2503(2) 0.3874(2) 0.38384(19) 0.0504(5) Uani 1 1 d . . . . .
O4 O 0.1525(2) 0.3975(2) 0.5681(3) 0.0649(7) Uani 1 1 d . . . . .
O5 O 0.4221(2) 0.5096(2) 0.67653(18) 0.0468(5) Uani 1 1 d . . . . .
O6 O 0.3530(2) 0.6096(2) 0.55211(19) 0.0449(5) Uani 1 1 d . . . . .
O7 O 0.5409(3) 0.8432(2) 0.5522(2) 0.0542(6) Uani 1 1 d . . . . .
O8 O 0.6826(2) 0.71042(18) 0.49664(18) 0.0422(5) Uani 1 1 d . . . . .
O9 O 0.4319(2) 0.5994(2) 0.37684(18) 0.0458(5) Uani 1 1 d . . . . .
O10 O 0.500000 0.500000 0.500000 0.0274(5) Uani 1 2 d S . P . .
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'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 Ag1 P2 154.72(3) . 2_676 ?
P1 Ag1 N1 97.15(12) . . ?
P2 Ag1 N1 101.33(13) 2_676 . ?
C4 P1 Ag1 115.87(9) . . ?
C4 P1 C27 104.19(12) . . ?
C10 P1 Ag1 112.46(9) . . ?
C10 P1 C4 102.97(12) . . ?
C10 P1 C27 105.98(12) . . ?
C27 P1 Ag1 114.21(9) . . ?
C16 P2 Ag1 114.32(9) . 2_676 ?
C16 P2 C22 106.30(13) . . ?
C16 P2 C25 104.46(13) . . ?
C22 P2 Ag1 109.40(9) . 2_676 ?
C22 P2 C25 104.49(13) . . ?
C25 P2 Ag1 116.93(10) . 2_676 ?
C29 N1 Ag1 149.8(5) . . ?
C2 C1 H1 120.1 . . ?
C6 C1 H1 120.1 . . ?
C6 C1 C2 119.8(3) . . ?
C1 C2 H2 119.7 . . ?
C1 C2 C3 120.6(3) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.8(3) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 P1 122.5(2) . . ?
C3 C4 C5 118.5(3) . . ?
C5 C4 P1 119.0(2) . . ?
C4 C5 H5 119.4 . . ?
C4 C5 C6 121.2(3) . . ?
C6 C5 H5 119.4 . . ?
C1 C6 C5 120.1(3) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C8 C7 H7 119.8 . . ?
C12 C7 H7 119.8 . . ?
C12 C7 C8 120.4(3) . . ?
C7 C8 H8 119.9 . . ?
C7 C8 C9 120.2(4) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 H9 119.8 . . ?
C8 C9 C10 120.5(3) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 P1 121.5(2) . . ?
C9 C10 C11 119.0(3) . . ?
C11 C10 P1 119.4(2) . . ?
C10 C11 H11 120.1 . . ?
C10 C11 C12 119.7(4) . . ?
C12 C11 H11 120.1 . . ?
C7 C12 C11 120.2(4) . . ?
C7 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C14 C13 H13 119.6 . . ?
C14 C13 C18 120.8(3) . . ?
C18 C13 H13 119.6 . . ?
C13 C14 H14 120.3 . . ?
C13 C14 C15 119.5(3) . . ?
C15 C14 H14 120.3 . . ?
C14 C15 H15 119.5 . . ?
C16 C15 C14 121.0(3) . . ?
C16 C15 H15 119.5 . . ?
C15 C16 P2 118.6(2) . . ?
C15 C16 C17 119.1(3) . . ?
C17 C16 P2 122.4(2) . . ?
C16 C17 H17 120.5 . . ?
C16 C17 C18 118.9(3) . . ?
C18 C17 H17 120.5 . . ?
C13 C18 C17 120.8(3) . . ?
C13 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C20 C19 H19 119.9 . . ?
C24 C19 H19 119.9 . . ?
C24 C19 C20 120.1(4) . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.3(4) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.2(3) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 P2 119.5(2) . . ?
C21 C22 C23 118.8(3) . . ?
C23 C22 P2 121.3(3) . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.3(4) . . ?
C24 C23 H23 119.8 . . ?
C19 C24 C23 120.2(4) . . ?
C19 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
P2 C25 H25A 109.1 . . ?
P2 C25 H25B 109.1 . . ?
H25A C25 H25B 107.8 . . ?
C26 C25 P2 112.62(19) . . ?
C26 C25 H25A 109.1 . . ?
C26 C25 H25B 109.1 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 C27 110.6(2) . . ?
H26A C26 H26B 108.1 . . ?
C27 C26 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
P1 C27 H27A 108.9 . . ?
P1 C27 H27B 108.9 . . ?
C26 C27 P1 113.27(18) . . ?
C26 C27 H27A 108.9 . . ?
C26 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
C29 C28 H28C 109.5 . . ?
N1 C29 C28 177.7(7) . . ?
O1 Mo1 O2 102.93(12) . . ?
O1 Mo1 O3 104.58(14) . . ?
O1 Mo1 O5 102.50(13) . 2_666 ?
O1 Mo1 O9 103.74(12) . . ?
O1 Mo1 O10 178.08(12) . . ?
O2 Mo1 O5 84.59(10) . 2_666 ?
O2 Mo1 O10 76.27(6) . . ?
O3 Mo1 O2 88.81(10) . . ?
O3 Mo1 O5 152.91(9) . 2_666 ?
O3 Mo1 O9 89.20(10) . . ?
O3 Mo1 O10 77.19(7) . . ?
O5 Mo1 O10 75.72(6) 2_666 . ?
O9 Mo1 O2 152.88(9) . . ?
O9 Mo1 O5 84.97(9) . 2_666 ?
O9 Mo1 O10 76.92(6) . . ?
O3 Mo2 O8 82.59(10) . 2_666 ?
O3 Mo2 O10 75.63(6) . . ?
O4 Mo2 O3 103.03(13) . . ?
O4 Mo2 O5 103.70(13) . . ?
O4 Mo2 O6 104.58(11) . . ?
O4 Mo2 O8 102.35(10) . 2_666 ?
O4 Mo2 O10 177.48(9) . . ?
O5 Mo2 O3 152.81(9) . . ?
O5 Mo2 O8 86.94(9) . 2_666 ?
O5 Mo2 O10 77.46(7) . . ?
O6 Mo2 O3 86.87(10) . . ?
O6 Mo2 O5 91.18(10) . . ?
O6 Mo2 O8 152.66(9) . 2_666 ?
O6 Mo2 O10 77.56(6) . . ?
O8 Mo2 O10 75.41(6) 2_666 . ?
O2 Mo3 O6 84.77(10) 2_666 . ?
O2 Mo3 O9 153.13(9) 2_666 . ?
O2 Mo3 O10 76.49(6) 2_666 . ?
O6 Mo3 O10 75.78(6) . . ?
O7 Mo3 O2 102.94(11) . 2_666 ?
O7 Mo3 O6 101.79(10) . . ?
O7 Mo3 O8 104.94(10) . . ?
O7 Mo3 O9 103.44(11) . . ?
O7 Mo3 O10 177.51(8) . . ?
O8 Mo3 O2 88.83(10) . 2_666 ?
O8 Mo3 O6 153.27(8) . . ?
O8 Mo3 O9 89.30(10) . . ?
O8 Mo3 O10 77.49(6) . . ?
O9 Mo3 O6 84.94(10) . . ?
O9 Mo3 O10 76.94(6) . . ?
Mo3 O2 Mo1 116.81(10) 2_666 . ?
Mo1 O3 Mo2 117.15(10) . . ?
Mo2 O5 Mo1 116.65(11) . 2_666 ?
Mo2 O6 Mo3 116.56(10) . . ?
Mo3 O8 Mo2 117.01(10) . 2_666 ?
Mo3 O9 Mo1 116.19(10) . . ?
Mo1 O10 Mo1 180.0 2_666 . ?
Mo1 O10 Mo2 90.076(12) 2_666 . ?
Mo1 O10 Mo2 90.075(12) . 2_666 ?
Mo1 O10 Mo2 89.925(12) 2_666 2_666 ?
Mo1 O10 Mo2 89.924(12) . . ?
Mo2 O10 Mo2 180.0 2_666 . ?
Mo3 O10 Mo1 90.055(10) . 2_666 ?
Mo3 O10 Mo1 89.943(10) . . ?
Mo3 O10 Mo1 89.946(10) 2_666 2_666 ?
Mo3 O10 Mo1 90.056(10) 2_666 . ?
Mo3 O10 Mo2 90.018(9) . . ?
Mo3 O10 Mo2 89.983(9) 2_666 . ?
Mo3 O10 Mo2 90.018(9) 2_666 2_666 ?
Mo3 O10 Mo2 89.981(9) . 2_666 ?
Mo3 O10 Mo3 180.0 2_666 . ?
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
Ag1 P1 2.4018(7) . ?
Ag1 P2 2.4061(7) 2_676 ?
Ag1 N1 2.587(5) . ?
P1 C4 1.821(3) . ?
P1 C10 1.816(3) . ?
P1 C27 1.824(3) . ?
P2 C16 1.819(3) . ?
P2 C22 1.822(3) . ?
P2 C25 1.835(3) . ?
N1 C29 1.059(6) . ?
C1 H1 0.9300 . ?
C1 C2 1.364(5) . ?
C1 C6 1.353(5) . ?
C2 H2 0.9300 . ?
C2 C3 1.399(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.371(4) . ?
C4 C5 1.379(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.383(5) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C7 C8 1.367(6) . ?
C7 C12 1.366(6) . ?
C8 H8 0.9300 . ?
C8 C9 1.382(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.386(4) . ?
C10 C11 1.387(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.398(5) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C13 C14 1.361(5) . ?
C13 C18 1.365(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.394(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.386(4) . ?
C16 C17 1.393(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.404(5) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C19 C20 1.373(6) . ?
C19 C24 1.367(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.386(5) . ?
C21 H21 0.9300 . ?
C21 C22 1.387(4) . ?
C22 C23 1.389(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.389(5) . ?
C24 H24 0.9300 . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.523(4) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C27 1.531(3) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C28 C29 1.519(9) . ?
Mo1 O1 1.680(2) . ?
Mo1 O2 1.930(2) . ?
Mo1 O3 1.878(2) . ?
Mo1 O5 1.975(2) 2_666 ?
Mo1 O9 1.929(2) . ?
Mo1 O10 2.3179(3) . ?
Mo2 O3 1.962(2) . ?
Mo2 O4 1.682(2) . ?
Mo2 O5 1.879(2) . ?
Mo2 O6 1.877(2) . ?
Mo2 O8 1.977(2) 2_666 ?
Mo2 O10 2.3190(3) . ?
Mo3 O2 1.920(2) 2_666 ?
Mo3 O6 1.977(2) . ?
Mo3 O7 1.689(2) . ?
Mo3 O8 1.866(2) . ?
Mo3 O9 1.929(2) . ?
Mo3 O10 2.3171(3) . ?
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
Ag1 P1 C4 C3 -97.3(3) . . . . ?
Ag1 P1 C4 C5 82.3(3) . . . . ?
Ag1 P1 C10 C9 -167.1(2) . . . . ?
Ag1 P1 C10 C11 11.1(3) . . . . ?
Ag1 P1 C27 C26 -57.0(2) . . . . ?
Ag1 P2 C16 C15 -9.5(2) 2_676 . . . ?
Ag1 P2 C16 C17 171.6(2) 2_676 . . . ?
Ag1 P2 C22 C21 77.8(3) 2_676 . . . ?
Ag1 P2 C22 C23 -94.5(3) 2_676 . . . ?
Ag1 P2 C25 C26 45.2(2) 2_676 . . . ?
P1 C4 C5 C6 -179.6(3) . . . . ?
P1 C10 C11 C12 -177.8(2) . . . . ?
P2 C16 C17 C18 179.6(2) . . . . ?
P2 C22 C23 C24 172.8(3) . . . . ?
P2 C25 C26 C27 175.07(18) . . . . ?
C1 C2 C3 C4 0.2(6) . . . . ?
C2 C1 C6 C5 1.6(6) . . . . ?
C2 C3 C4 P1 180.0(3) . . . . ?
C2 C3 C4 C5 0.4(5) . . . . ?
C3 C4 C5 C6 0.0(5) . . . . ?
C4 P1 C10 C9 -41.7(3) . . . . ?
C4 P1 C10 C11 136.5(2) . . . . ?
C4 P1 C27 C26 175.58(19) . . . . ?
C4 C5 C6 C1 -1.0(6) . . . . ?
C6 C1 C2 C3 -1.2(6) . . . . ?
C7 C8 C9 C10 0.5(5) . . . . ?
C8 C7 C12 C11 -0.3(5) . . . . ?
C8 C9 C10 P1 177.5(2) . . . . ?
C8 C9 C10 C11 -0.7(4) . . . . ?
C9 C10 C11 C12 0.5(5) . . . . ?
C10 P1 C4 C3 139.5(3) . . . . ?
C10 P1 C4 C5 -40.9(3) . . . . ?
C10 P1 C27 C26 67.3(2) . . . . ?
C10 C11 C12 C7 0.0(5) . . . . ?
C12 C7 C8 C9 0.0(5) . . . . ?
C13 C14 C15 C16 0.4(5) . . . . ?
C14 C13 C18 C17 0.5(5) . . . . ?
C14 C15 C16 P2 -179.5(2) . . . . ?
C14 C15 C16 C17 -0.6(4) . . . . ?
C15 C16 C17 C18 0.8(4) . . . . ?
C16 P2 C22 C21 -158.3(2) . . . . ?
C16 P2 C22 C23 29.4(3) . . . . ?
C16 P2 C25 C26 -82.3(2) . . . . ?
C16 C17 C18 C13 -0.8(5) . . . . ?
C18 C13 C14 C15 -0.3(5) . . . . ?
C19 C20 C21 C22 0.7(6) . . . . ?
C20 C19 C24 C23 0.8(8) . . . . ?
C20 C21 C22 P2 -173.0(3) . . . . ?
C20 C21 C22 C23 -0.5(5) . . . . ?
C21 C22 C23 C24 0.5(6) . . . . ?
C22 P2 C16 C15 -130.3(2) . . . . ?
C22 P2 C16 C17 50.8(3) . . . . ?
C22 P2 C25 C26 166.2(2) . . . . ?
C22 C23 C24 C19 -0.7(7) . . . . ?
C24 C19 C20 C21 -0.8(7) . . . . ?
C25 P2 C16 C15 119.5(2) . . . . ?
C25 P2 C16 C17 -59.3(3) . . . . ?
C25 P2 C22 C21 -48.2(3) . . . . ?
C25 P2 C22 C23 139.6(3) . . . . ?
C25 C26 C27 P1 168.03(19) . . . . ?
C27 P1 C4 C3 29.0(3) . . . . ?
C27 P1 C4 C5 -151.4(3) . . . . ?
C27 P1 C10 C9 67.4(2) . . . . ?
C27 P1 C10 C11 -114.3(2) . . . . ?
O1 Mo1 O3 Mo2 -177.95(14) . . . . ?
O2 Mo1 O3 Mo2 79.00(13) . . . . ?
O2 Mo3 O8 Mo2 79.29(12) 2_666 . . 2_666 ?
O3 Mo2 O5 Mo1 11.0(3) . . . 2_666 ?
O3 Mo2 O6 Mo3 -78.65(13) . . . . ?
O4 Mo2 O5 Mo1 -179.74(12) . . . 2_666 ?
O4 Mo2 O6 Mo3 178.69(15) . . . . ?
O5 Mo1 O3 Mo2 3.3(3) 2_666 . . . ?
O5 Mo2 O6 Mo3 74.20(13) . . . . ?
O6 Mo2 O5 Mo1 -74.42(12) . . . 2_666 ?
O6 Mo3 O8 Mo2 3.4(3) . . . 2_666 ?
O7 Mo3 O8 Mo2 -177.63(13) . . . 2_666 ?
O8 Mo2 O5 Mo1 78.29(12) 2_666 . . 2_666 ?
O8 Mo2 O6 Mo3 -11.4(3) 2_666 . . . ?
O9 Mo1 O3 Mo2 -73.96(13) . . . . ?
O9 Mo3 O8 Mo2 -73.90(12) . . . 2_666 ?
O10 Mo1 O3 Mo2 2.81(10) . . . . ?
O10 Mo2 O5 Mo1 2.56(9) . . . 2_666 ?
O10 Mo2 O6 Mo3 -2.68(10) . . . . ?
O10 Mo3 O8 Mo2 2.88(9) . . . 2_666 ?
