#------------------------------------------------------------------------------
#$Date: 2024-02-04 14:11:49 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289553 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/47/7714747.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_7714747
loop_
_publ_author_name
'Sahu, Priyanka'
'Jana, Narayan Ch'
'Barik, Sahadev'
'Kisan, Hemanta K.'
'Changotra, Avtar'
'Isab, Anvarhusein A.'
'Dinda, Joydev'
_publ_section_title
;
 Unexpected structural preference with metallophilic Ag-Au contacts in
 silver(I)-N-heterocyclic carbene cluster; experimental and theoretical
 approach.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1099
_journal_page_last               1104
_journal_paper_doi               10.1039/d3dt02551a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C63 H60 Ag3 N18, 3(F6 P1), 0.5(C4 H4 N2)'
_chemical_formula_sum            'C65 H62 Ag3 F18 N19 P3'
_chemical_formula_weight         1867.85
_space_group_crystal_system      trigonal
_space_group_IT_number           165
_space_group_name_Hall           '-P 3 2"c'
_space_group_name_H-M_alt        'P -3 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-12-03
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2023-04-26 deposited with the CCDC.	2023-12-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   23.0541(3)
_cell_length_b                   23.0541(3)
_cell_length_c                   23.7591(4)
_cell_measurement_reflns_used    34615
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      30.6820
_cell_measurement_theta_min      1.9630
_cell_volume                     10936.0(3)
_computing_cell_refinement       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.854
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -72.00  -1.00   0.50   80.18    --   -4.29 -31.00 -59.00  142
  2  ω      1.00  67.00   0.50   80.18    --    3.67  37.00 150.00  132
  3  ω     -8.00  55.00   0.50   80.18    --    3.67  57.00   0.00  126
  4  ω    -14.00  27.00   0.50   80.18    --   -4.29 -99.00-150.00   82
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0325015000
_diffrn_orient_matrix_UB_12      -0.0205809000
_diffrn_orient_matrix_UB_13      0.0112946000
_diffrn_orient_matrix_UB_21      -0.0033959000
_diffrn_orient_matrix_UB_22      0.0286467000
_diffrn_orient_matrix_UB_23      0.0040922000
_diffrn_orient_matrix_UB_31      -0.0139304000
_diffrn_orient_matrix_UB_32      -0.0042117000
_diffrn_orient_matrix_UB_33      -0.0273216000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0183
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.854
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            81962
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.854
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.589
_diffrn_reflns_theta_min         1.964
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.965
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52328
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            white
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_description       block
_exptl_crystal_F_000             5598
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.207
_refine_diff_density_min         -0.865
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         9586
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0319P)²+21.7346P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0760
_refine_ls_wR_factor_ref         0.0813
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8104
_reflns_number_total             9586
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt02551a2.cif
_cod_data_source_block           sdv_ptcomplex
_cod_depositor_comments
'Adding full bibliography for 7714747--7714748.cif.'
_cod_database_code               7714747
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C H N P F Ag'
_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   0.910
_shelx_estimated_absorpt_t_min   0.830
_reflns_odcompleteness_completeness 99.90
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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. Others
 Fixed Sof: N10(0.5) H33A(0.5) H33B(0.5) C34(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C30(H30A,H30B), C9(H9A,H9B), C13(H13A,H13B), C33(H33A,H33B)
3.b Aromatic/amide H refined with riding coordinates:
 C32(H32), C10(H10), C11(H11), C16(H16), C2(H2), C19(H19), C23(H23), C17(H17),
 C18(H18), C26(H26), C3(H3), C5(H5), C24(H24), C4(H4), C25(H25)
3.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C29(H29A,H29B,H29C), C21(H21A,H21B,H21C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.493
_oxdiff_exptl_absorpt_empirical_full_min 0.637
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, 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
Ag2 Ag 0.93103(2) 1.000000 0.250000 0.01209(5) Uani 1 2 d S T P . .
Ag1 Ag 0.33034(2) 0.59578(2) 0.26886(2) 0.01318(5) Uani 1 1 d . . . . .
P3 P 1.000000 1.000000 0.500000 0.0147(2) Uani 1 6 d S T P . .
P2 P 0.333333 0.666667 0.51374(4) 0.01775(18) Uani 1 3 d S T P . .
P1 P 0.67121(3) 0.67067(3) 0.40880(3) 0.02277(12) Uani 1 1 d . . . . .
F9 F 0.93482(7) 0.96207(8) 0.46093(6) 0.0270(3) Uani 1 1 d . . . . .
F7 F 0.37099(8) 0.63917(8) 0.47497(6) 0.0299(3) Uani 1 1 d . . . . .
F8 F 0.30598(9) 0.60155(8) 0.55286(7) 0.0360(4) Uani 1 1 d . . . . .
F1 F 0.67496(8) 0.66520(7) 0.34157(6) 0.0358(4) Uani 1 1 d . . . . .
F3 F 0.66645(8) 0.67613(9) 0.47511(6) 0.0406(4) Uani 1 1 d . . . . .
N9 N 0.84847(9) 0.85534(8) 0.20539(7) 0.0146(3) Uani 1 1 d . . . . .
N3 N 0.47298(9) 0.65504(9) 0.21806(8) 0.0162(3) Uani 1 1 d . . . . .
N8 N 0.81784(9) 0.94256(9) 0.09053(8) 0.0189(4) Uani 1 1 d . . . . .
N1 N 0.34161(9) 0.54072(9) 0.19112(8) 0.0195(4) Uani 1 1 d . . . . .
N6 N 0.51822(9) 0.77682(9) 0.42836(7) 0.0181(4) Uani 1 1 d . . . . .
N4 N 0.48485(9) 0.66601(9) 0.30717(8) 0.0173(3) Uani 1 1 d . . . . .
N2 N 0.38606(9) 0.53366(9) 0.10978(8) 0.0170(3) Uani 1 1 d . . . . .
N7 N 0.85910(10) 0.98241(9) 0.17580(8) 0.0202(4) Uani 1 1 d . . . . .
F2 F 0.63362(14) 0.71118(15) 0.39909(8) 0.0736(8) Uani 1 1 d . . . . .
N5 N 0.47769(10) 0.78216(9) 0.34429(8) 0.0200(4) Uani 1 1 d . . . . .
C31 C 0.88827(12) 0.88827(12) 0.250000 0.0132(5) Uani 1 2 d S T P . .
C12 C 0.44282(11) 0.66116(10) 0.26514(9) 0.0152(4) Uani 1 1 d . . . . .
C30 C 0.86226(11) 0.88037(11) 0.14751(8) 0.0173(4) Uani 1 1 d . . . . .
H30A H 0.835484 0.843008 0.121268 0.021 Uiso 1 1 calc R U . . .
H30B H 0.910210 0.897807 0.138991 0.021 Uiso 1 1 calc R U . . .
C9 C 0.44383(11) 0.64448(10) 0.16160(9) 0.0176(4) Uani 1 1 d . . . . .
H9A H 0.479231 0.656216 0.133012 0.021 Uiso 1 1 calc R U . . .
H9B H 0.424563 0.673996 0.155970 0.021 Uiso 1 1 calc R U . . .
C7 C 0.38995(11) 0.57251(10) 0.15434(9) 0.0162(4) Uani 1 1 d . . . . .
C28 C 0.84566(10) 0.93511(11) 0.13854(9) 0.0167(4) Uani 1 1 d . . . . .
F6 F 0.73999(10) 0.73870(14) 0.40834(8) 0.0927(11) Uani 1 1 d . . . . .
C32 C 0.79195(11) 0.79659(10) 0.22195(9) 0.0196(4) Uani 1 1 d . . . . .
H32 H 0.756807 0.765658 0.198316 0.024 Uiso 1 1 calc R U . . .
C20 C 0.52135(10) 0.83831(11) 0.42609(9) 0.0189(4) Uani 1 1 d . . . . .
C14 C 0.49111(10) 0.74557(11) 0.37869(9) 0.0178(4) Uani 1 1 d . . . . .
C13 C 0.47434(12) 0.67508(11) 0.36641(9) 0.0200(4) Uani 1 1 d . . . . .
H13A H 0.502635 0.663704 0.390025 0.024 Uiso 1 1 calc R U . . .
H13B H 0.426954 0.644051 0.376404 0.024 Uiso 1 1 calc R U . . .
C27 C 0.81406(10) 1.00027(12) 0.09730(10) 0.0220(5) Uani 1 1 d . . . . .
C10 C 0.53207(11) 0.65647(12) 0.23041(10) 0.0227(5) Uani 1 1 d . . . . .
H10 H 0.561488 0.652960 0.204432 0.027 Uiso 1 1 calc R U . . .
C6 C 0.33013(11) 0.47150(11) 0.11875(10) 0.0200(4) Uani 1 1 d . . . . .
C1 C 0.30276(11) 0.47646(11) 0.16985(10) 0.0207(4) Uani 1 1 d . . . . .
C11 C 0.53985(11) 0.66382(12) 0.28659(10) 0.0231(5) Uani 1 1 d . . . . .
H11 H 0.576110 0.666909 0.307970 0.028 Uiso 1 1 calc R U . . .
C15 C 0.49654(10) 0.84128(11) 0.37306(9) 0.0184(4) Uani 1 1 d . . . . .
C22 C 0.83927(11) 1.02431(11) 0.15100(10) 0.0226(5) Uani 1 1 d . . . . .
C16 C 0.49308(11) 0.89747(11) 0.35681(11) 0.0239(5) Uani 1 1 d . . . . .
H16 H 0.477120 0.900404 0.320656 0.029 Uiso 1 1 calc R U . . .
C2 C 0.24524(12) 0.42208(12) 0.19197(12) 0.0299(5) Uani 1 1 d . . . . .
H2 H 0.226722 0.425039 0.226834 0.036 Uiso 1 1 calc R U . . .
C19 C 0.54321(11) 0.89039(12) 0.46497(10) 0.0241(5) Uani 1 1 d . . . . .
H19 H 0.560399 0.888191 0.500757 0.029 Uiso 1 1 calc R U . . .
C23 C 0.84136(13) 1.08170(13) 0.17226(13) 0.0315(6) Uani 1 1 d . . . . .
H23 H 0.858005 1.098022 0.208901 0.038 Uiso 1 1 calc R U . . .
C17 C 0.51393(12) 0.94901(12) 0.39566(11) 0.0275(5) Uani 1 1 d . . . . .
H17 H 0.511462 0.987732 0.386104 0.033 Uiso 1 1 calc R U . . .
C8 C 0.42940(13) 0.55493(12) 0.06018(9) 0.0231(5) Uani 1 1 d . . . . .
H8A H 0.426950 0.591460 0.041333 0.035 Uiso 1 1 calc R U . . .
H8B H 0.414591 0.517087 0.034216 0.035 Uiso 1 1 calc R U . . .
H8C H 0.475694 0.570505 0.071741 0.035 Uiso 1 1 calc R U . . .
C29 C 0.79673(11) 0.89937(13) 0.04085(9) 0.0249(5) Uani 1 1 d . . . . .
H29A H 0.835181 0.897629 0.025247 0.037 Uiso 1 1 calc R U . . .
H29B H 0.779081 0.917392 0.012514 0.037 Uiso 1 1 calc R U . . .
H29C H 0.761771 0.854134 0.051478 0.037 Uiso 1 1 calc R U . . .
C21 C 0.53821(12) 0.75114(12) 0.47648(9) 0.0229(5) Uani 1 1 d . . . . .
H21A H 0.561287 0.786935 0.504252 0.034 Uiso 1 1 calc R U . . .
H21B H 0.568389 0.735391 0.463714 0.034 Uiso 1 1 calc R U . . .
H21C H 0.498334 0.713889 0.493699 0.034 Uiso 1 1 calc R U . . .
C18 C 0.53849(12) 0.94534(13) 0.44858(11) 0.0286(5) Uani 1 1 d . . . . .
H18 H 0.552333 0.981736 0.473989 0.034 Uiso 1 1 calc R U . . .
F5 F 0.60216(15) 0.60439(13) 0.40924(10) 0.1210(15) Uani 1 1 d . . . . .
C26 C 0.78967(12) 1.03200(14) 0.06239(12) 0.0325(6) Uani 1 1 d . . . . .
H26 H 0.771949 1.015200 0.026091 0.039 Uiso 1 1 calc R U . . .
C3 C 0.21643(14) 0.36361(13) 0.16075(14) 0.0386(7) Uani 1 1 d . . . . .
H3 H 0.176732 0.325715 0.174136 0.046 Uiso 1 1 calc R U . . .
C5 C 0.30189(13) 0.41214(12) 0.08778(11) 0.0284(5) Uani 1 1 d . . . . .
H5 H 0.321070 0.408476 0.053520 0.034 Uiso 1 1 calc R U . . .
C24 C 0.81801(14) 1.11384(14) 0.13742(15) 0.0405(7) Uani 1 1 d . . . . .
H24 H 0.819136 1.153416 0.150263 0.049 Uiso 1 1 calc R U . . .
C4 C 0.24450(15) 0.35907(13) 0.10984(14) 0.0383(7) Uani 1 1 d . . . . .
H4 H 0.223242 0.317939 0.089744 0.046 Uiso 1 1 calc R U . . .
C25 C 0.79281(14) 1.08913(15) 0.08370(14) 0.0414(7) Uani 1 1 d . . . . .
H25 H 0.777299 1.112602 0.061093 0.050 Uiso 1 1 calc R U . . .
F4 F 0.7063(2) 0.6289(2) 0.41713(12) 0.1449(18) Uani 1 1 d . . . . .
N10 N 0.4473(4) 0.4861(4) 0.2204(3) 0.0599(17) Uani 0.5 1 d . . P . .
C33 C 0.3625(4) 0.3625(4) 0.250000 0.126(4) Uani 1 2 d S T P . .
H33A H 0.324009 0.355319 0.273480 0.151 Uiso 0.5 1 calc R U P . .
H33B H 0.355319 0.324009 0.226520 0.151 Uiso 0.5 1 calc R U P . .
C34 C 0.4091(4) 0.4316(5) 0.2288(3) 0.0574(19) Uani 0.5 1 d . . 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Ag2 Ag2 Ag2 60.000(1) 3_675 2_765 ?
N7 Ag2 Ag2 117.97(5) . 2_765 ?
N7 Ag2 Ag2 128.38(5) 5_675 2_765 ?
N7 Ag2 Ag2 117.97(5) 5_675 3_675 ?
N7 Ag2 Ag2 128.38(5) . 3_675 ?
N7 Ag2 N7 102.01(10) . 5_675 ?
C31 Ag2 Ag2 112.29(4) 3_675 2_765 ?
C31 Ag2 Ag2 52.29(4) 3_675 3_675 ?
C31 Ag2 Ag2 52.29(4) . 2_765 ?
C31 Ag2 Ag2 112.29(4) . 3_675 ?
C31 Ag2 N7 86.21(5) 3_675 5_675 ?
C31 Ag2 N7 103.59(5) 3_675 . ?
C31 Ag2 N7 103.59(5) . 5_675 ?
C31 Ag2 N7 86.21(5) . . ?
C31 Ag2 C31 164.58(9) . 3_675 ?
Ag1 Ag1 Ag1 60.0 2_665 3_565 ?
N1 Ag1 Ag1 117.22(5) . 2_665 ?
N1 Ag1 Ag1 125.21(5) . 3_565 ?
N1 Ag1 N5 105.76(7) . 3_565 ?
N5 Ag1 Ag1 115.22(5) 3_565 3_565 ?
N5 Ag1 Ag1 128.70(5) 3_565 2_665 ?
C12 Ag1 Ag1 52.01(5) 3_565 3_565 ?
C12 Ag1 Ag1 52.53(5) . 2_665 ?
C12 Ag1 Ag1 112.48(5) . 3_565 ?
C12 Ag1 Ag1 111.96(5) 3_565 2_665 ?
C12 Ag1 N1 99.80(7) 3_565 . ?
C12 Ag1 N1 85.92(7) . . ?
C12 Ag1 N5 85.27(7) 3_565 3_565 ?
C12 Ag1 N5 107.86(7) . 3_565 ?
C12 Ag1 C12 163.84(7) . 3_565 ?
F9 P3 F9 89.83(7) 2_765 3_675 ?
F9 P3 F9 90.16(7) 8_566 . ?
F9 P3 F9 89.83(7) 7_776 8_566 ?
F9 P3 F9 180.00(8) 8_566 2_765 ?
F9 P3 F9 89.83(7) 8_566 9_656 ?
F9 P3 F9 89.83(7) 3_675 . ?
F9 P3 F9 89.84(7) 2_765 . ?
F9 P3 F9 180.0 7_776 . ?
F9 P3 F9 90.17(7) 9_656 . ?
F9 P3 F9 89.83(7) 7_776 9_656 ?
F9 P3 F9 90.17(7) 8_566 3_675 ?
F9 P3 F9 90.17(7) 2_765 9_656 ?
F9 P3 F9 90.17(7) 7_776 2_765 ?
F9 P3 F9 180.00(8) 9_656 3_675 ?
F9 P3 F9 90.17(7) 7_776 3_675 ?
F7 P2 F7 90.11(9) 2_665 3_565 ?
F7 P2 F7 90.10(9) 2_665 . ?
F7 P2 F7 90.10(9) 3_565 . ?
F7 P2 F8 90.00(8) 2_665 2_665 ?
F7 P2 F8 179.73(10) 3_565 2_665 ?
F7 P2 F8 179.72(10) . 3_565 ?
F7 P2 F8 90.00(8) . . ?
F7 P2 F8 90.15(8) 2_665 3_565 ?
F7 P2 F8 90.15(8) . 2_665 ?
F7 P2 F8 90.15(8) 3_565 . ?
F7 P2 F8 90.00(8) 3_565 3_565 ?
F7 P2 F8 179.72(12) 2_665 . ?
F8 P2 F8 89.74(9) 3_565 . ?
F8 P2 F8 89.75(9) 3_565 2_665 ?
F8 P2 F8 89.74(9) 2_665 . ?
F3 P1 F1 179.10(10) . . ?
F2 P1 F1 88.17(10) . . ?
F2 P1 F3 91.04(11) . . ?
F2 P1 F6 89.26(17) . . ?
F6 P1 F1 90.25(10) . . ?
F6 P1 F3 90.18(10) . . ?
F5 P1 F1 89.91(10) . . ?
F5 P1 F3 89.65(11) . . ?
F5 P1 F2 89.3(2) . . ?
F5 P1 F6 178.5(2) . . ?
F4 P1 F1 90.73(12) . . ?
F4 P1 F3 90.05(13) . . ?
F4 P1 F2 178.1(2) . . ?
F4 P1 F6 92.4(2) . . ?
F4 P1 F5 89.1(2) . . ?
C31 N9 C30 124.05(18) . . ?
C31 N9 C32 111.52(18) . . ?
C32 N9 C30 124.39(18) . . ?
C12 N3 C9 123.64(18) . . ?
C12 N3 C10 111.88(18) . . ?
C10 N3 C9 124.40(18) . . ?
C28 N8 C27 106.49(18) . . ?
C28 N8 C29 127.5(2) . . ?
C27 N8 C29 126.04(19) . . ?
C7 N1 Ag1 121.22(14) . . ?
C7 N1 C1 105.54(18) . . ?
C1 N1 Ag1 133.05(15) . . ?
C20 N6 C21 125.37(18) . . ?
C14 N6 C20 106.46(18) . . ?
C14 N6 C21 128.12(19) . . ?
C12 N4 C13 123.93(18) . . ?
C12 N4 C11 111.52(18) . . ?
C11 N4 C13 124.50(19) . . ?
C7 N2 C6 106.42(18) . . ?
C7 N2 C8 126.68(19) . . ?
C6 N2 C8 126.75(18) . . ?
C28 N7 Ag2 120.63(14) . . ?
C28 N7 C22 105.53(18) . . ?
C22 N7 Ag2 131.11(15) . . ?
C14 N5 Ag1 121.59(14) . 2_665 ?
C14 N5 C15 105.36(18) . . ?
C15 N5 Ag1 129.74(15) . 2_665 ?
Ag2 C31 Ag2 75.43(9) . 2_765 ?
N9 C31 Ag2 123.37(9) 4 . ?
N9 C31 Ag2 123.37(9) . 2_765 ?
N9 C31 Ag2 115.24(9) . . ?
N9 C31 Ag2 115.25(9) 4 2_765 ?
N9 C31 N9 103.8(2) 4 . ?
Ag1 C12 Ag1 75.46(7) . 2_665 ?
N3 C12 Ag1 121.30(14) . 2_665 ?
N3 C12 Ag1 116.02(14) . . ?
N4 C12 Ag1 116.06(14) . 2_665 ?
N4 C12 Ag1 124.12(15) . . ?
N4 C12 N3 103.45(18) . . ?
N9 C30 H30A 109.3 . . ?
N9 C30 H30B 109.3 . . ?
N9 C30 C28 111.55(17) . . ?
H30A C30 H30B 108.0 . . ?
C28 C30 H30A 109.3 . . ?
C28 C30 H30B 109.3 . . ?
N3 C9 H9A 109.6 . . ?
N3 C9 H9B 109.6 . . ?
N3 C9 C7 110.20(17) . . ?
H9A C9 H9B 108.1 . . ?
C7 C9 H9A 109.6 . . ?
C7 C9 H9B 109.6 . . ?
N1 C7 N2 113.08(19) . . ?
N1 C7 C9 122.76(18) . . ?
N2 C7 C9 124.16(19) . . ?
N8 C28 C30 123.90(19) . . ?
N7 C28 N8 112.96(19) . . ?
N7 C28 C30 123.09(18) . . ?
N9 C32 H32 126.7 . . ?
C32 C32 N9 106.59(12) 4 . ?
C32 C32 H32 126.7 4 . ?
N6 C20 C15 105.78(18) . . ?
N6 C20 C19 131.9(2) . . ?
C19 C20 C15 122.3(2) . . ?
N6 C14 C13 122.95(19) . . ?
N5 C14 N6 113.1(2) . . ?
N5 C14 C13 123.87(19) . . ?
N4 C13 C14 111.80(18) . . ?
N4 C13 H13A 109.3 . . ?
N4 C13 H13B 109.3 . . ?
C14 C13 H13A 109.3 . . ?
C14 C13 H13B 109.3 . . ?
H13A C13 H13B 107.9 . . ?
N8 C27 C22 105.88(19) . . ?
N8 C27 C26 132.0(2) . . ?
C26 C27 C22 122.1(2) . . ?
N3 C10 H10 126.8 . . ?
C11 C10 N3 106.4(2) . . ?
C11 C10 H10 126.8 . . ?
N2 C6 C1 105.90(18) . . ?
N2 C6 C5 132.1(2) . . ?
C5 C6 C1 122.0(2) . . ?
N1 C1 C6 109.1(2) . . ?
N1 C1 C2 129.7(2) . . ?
C2 C1 C6 121.2(2) . . ?
N4 C11 H11 126.6 . . ?
C10 C11 N4 106.75(19) . . ?
C10 C11 H11 126.6 . . ?
N5 C15 C20 109.31(19) . . ?
N5 C15 C16 130.0(2) . . ?
C16 C15 C20 120.7(2) . . ?
N7 C22 C27 109.1(2) . . ?
N7 C22 C23 129.7(2) . . ?
C23 C22 C27 121.2(2) . . ?
C15 C16 H16 121.4 . . ?
C17 C16 C15 117.1(2) . . ?
C17 C16 H16 121.4 . . ?
C1 C2 H2 121.6 . . ?
C3 C2 C1 116.9(3) . . ?
C3 C2 H2 121.6 . . ?
C20 C19 H19 121.9 . . ?
C18 C19 C20 116.3(2) . . ?
C18 C19 H19 121.9 . . ?
C22 C23 H23 121.6 . . ?
C24 C23 C22 116.9(3) . . ?
C24 C23 H23 121.6 . . ?
C16 C17 H17 119.2 . . ?
C16 C17 C18 121.6(2) . . ?
C18 C17 H17 119.2 . . ?
N2 C8 H8A 109.5 . . ?
N2 C8 H8B 109.5 . . ?
N2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N8 C29 H29A 109.5 . . ?
N8 C29 H29B 109.5 . . ?
N8 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N6 C21 H21A 109.5 . . ?
N6 C21 H21B 109.5 . . ?
N6 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C18 C17 121.9(2) . . ?
C19 C18 H18 119.0 . . ?
C17 C18 H18 119.0 . . ?
C27 C26 H26 122.0 . . ?
C25 C26 C27 116.1(3) . . ?
C25 C26 H26 122.0 . . ?
C2 C3 H3 119.3 . . ?
C2 C3 C4 121.4(3) . . ?
C4 C3 H3 119.3 . . ?
C6 C5 H5 122.0 . . ?
C4 C5 C6 116.1(2) . . ?
C4 C5 H5 122.0 . . ?
C23 C24 H24 119.3 . . ?
C23 C24 C25 121.3(3) . . ?
C25 C24 H24 119.3 . . ?
C3 C4 H4 118.8 . . ?
C5 C4 C3 122.4(2) . . ?
C5 C4 H4 118.8 . . ?
C26 C25 C24 122.4(2) . . ?
C26 C25 H25 118.8 . . ?
C24 C25 H25 118.8 . . ?
H33A C33 H33B 115.6 . . ?
C34 C33 H33A 118.4 4 . ?
C34 C33 H33A 118.4 . . ?
C34 C33 H33B 118.4 4 . ?
C34 C33 H33B 118.4 . . ?
C34 C33 C34 53.8(7) 4 . ?
N10 C34 C33 170.3(8) . . ?
N10 C34 C34 108.8(5) . 4 ?
C34 C34 C33 63.1(3) 4 . ?
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
Ag2 Ag2 2.7539(3) 2_765 ?
Ag2 Ag2 2.7539(3) 3_675 ?
Ag2 N7 2.3129(18) . ?
Ag2 N7 2.3129(18) 5_675 ?
Ag2 C31 2.251(2) 3_675 ?
Ag2 C31 2.251(2) . ?
Ag1 Ag1 2.7725(3) 2_665 ?
Ag1 Ag1 2.7726(3) 3_565 ?
Ag1 N1 2.3281(18) . ?
Ag1 N5 2.3294(18) 3_565 ?
Ag1 C12 2.257(2) . ?
Ag1 C12 2.273(2) 3_565 ?
P3 F9 1.6032(13) 3_675 ?
P3 F9 1.6032(13) 8_566 ?
P3 F9 1.6032(13) 2_765 ?
P3 F9 1.6032(13) 9_656 ?
P3 F9 1.6032(13) 7_776 ?
P3 F9 1.6032(13) . ?
P2 F7 1.5983(15) 2_665 ?
P2 F7 1.5983(15) 3_565 ?
P2 F7 1.5983(15) . ?
P2 F8 1.6027(15) 3_565 ?
P2 F8 1.6027(15) . ?
P2 F8 1.6027(15) 2_665 ?
P1 F1 1.6080(16) . ?
P1 F3 1.5887(16) . ?
P1 F2 1.577(2) . ?
P1 F6 1.577(2) . ?
P1 F5 1.561(2) . ?
P1 F4 1.551(2) . ?
N9 C31 1.358(2) . ?
N9 C30 1.463(3) . ?
N9 C32 1.386(3) . ?
N3 C12 1.361(3) . ?
N3 C9 1.465(3) . ?
N3 C10 1.378(3) . ?
N8 C28 1.361(3) . ?
N8 C27 1.385(3) . ?
N8 C29 1.462(3) . ?
N1 C7 1.314(3) . ?
N1 C1 1.388(3) . ?
N6 C20 1.384(3) . ?
N6 C14 1.361(3) . ?
N6 C21 1.464(3) . ?
N4 C12 1.357(3) . ?
N4 C13 1.461(3) . ?
N4 C11 1.383(3) . ?
N2 C7 1.361(3) . ?
N2 C6 1.383(3) . ?
N2 C8 1.462(3) . ?
N7 C28 1.316(3) . ?
N7 C22 1.390(3) . ?
N5 C14 1.318(3) . ?
N5 C15 1.386(3) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C28 1.506(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C7 1.505(3) . ?
C32 C32 1.346(4) 4 ?
C32 H32 0.9500 . ?
C20 C15 1.400(3) . ?
C20 C19 1.394(3) . ?
C14 C13 1.499(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C27 C22 1.397(3) . ?
C27 C26 1.397(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.346(3) . ?
C6 C1 1.399(3) . ?
C6 C5 1.395(3) . ?
C1 C2 1.394(3) . ?
C11 H11 0.9500 . ?
C15 C16 1.392(3) . ?
C22 C23 1.394(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.387(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.383(4) . ?
C19 H19 0.9500 . ?
C19 C18 1.381(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.387(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.399(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C18 H18 0.9500 . ?
C26 H26 0.9500 . ?
C26 C25 1.379(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.400(4) . ?
C5 H5 0.9500 . ?
C5 C4 1.380(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.400(5) . ?
C4 H4 0.9500 . ?
C25 H25 0.9500 . ?
N10 C34 1.134(10) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.494(11) 4 ?
C33 C34 1.494(11) . ?
C34 C34 1.352(15) 4 ?
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
Ag2 N7 C28 N8 -163.52(14) . . . . ?
Ag2 N7 C28 C30 14.0(3) . . . . ?
Ag2 N7 C22 C27 160.25(16) . . . . ?
Ag2 N7 C22 C23 -20.2(4) . . . . ?
Ag1 N1 C7 N2 -175.75(13) . . . . ?
Ag1 N1 C7 C9 4.5(3) . . . . ?
Ag1 N1 C1 C6 174.87(15) . . . . ?
Ag1 N1 C1 C2 -5.1(4) . . . . ?
Ag1 N5 C14 N6 -161.83(14) 2_665 . . . ?
Ag1 N5 C14 C13 14.4(3) 2_665 . . . ?
Ag1 N5 C15 C20 158.86(15) 2_665 . . . ?
Ag1 N5 C15 C16 -20.4(4) 2_665 . . . ?
N9 C30 C28 N8 -142.1(2) . . . . ?
N9 C30 C28 N7 40.6(3) . . . . ?
N3 C9 C7 N1 49.5(3) . . . . ?
N3 C9 C7 N2 -130.2(2) . . . . ?
N3 C10 C11 N4 0.6(3) . . . . ?
N8 C27 C22 N7 1.1(2) . . . . ?
N8 C27 C22 C23 -178.5(2) . . . . ?
N8 C27 C26 C25 178.8(2) . . . . ?
N1 C1 C2 C3 179.3(2) . . . . ?
N6 C20 C15 N5 1.0(2) . . . . ?
N6 C20 C15 C16 -179.7(2) . . . . ?
N6 C20 C19 C18 -179.3(2) . . . . ?
N6 C14 C13 N4 -145.8(2) . . . . ?
N2 C6 C1 N1 0.2(2) . . . . ?
N2 C6 C1 C2 -179.8(2) . . . . ?
N2 C6 C5 C4 -179.6(2) . . . . ?
N7 C22 C23 C24 179.8(2) . . . . ?
N5 C14 C13 N4 38.4(3) . . . . ?
N5 C15 C16 C17 177.9(2) . . . . ?
C31 N9 C30 C28 -76.5(2) . . . . ?
C31 N9 C32 C32 -0.8(3) . . . 4 ?
C12 N3 C9 C7 -77.8(2) . . . . ?
C12 N3 C10 C11 -0.1(3) . . . . ?
C12 N4 C13 C14 -75.9(3) . . . . ?
C12 N4 C11 C10 -0.9(3) . . . . ?
C30 N9 C31 Ag2 40.0(2) . . . . ?
C30 N9 C31 Ag2 -48.8(2) . . . 2_765 ?
C30 N9 C31 N9 177.8(2) . . . 4 ?
C30 N9 C32 C32 -178.3(2) . . . 4 ?
C9 N3 C12 Ag1 -51.1(2) . . . 2_665 ?
C9 N3 C12 Ag1 37.1(2) . . . . ?
C9 N3 C12 N4 176.47(18) . . . . ?
C9 N3 C10 C11 -176.96(19) . . . . ?
C7 N1 C1 C6 -0.1(2) . . . . ?
C7 N1 C1 C2 179.9(2) . . . . ?
C7 N2 C6 C1 -0.2(2) . . . . ?
C7 N2 C6 C5 -179.3(2) . . . . ?
C28 N8 C27 C22 -1.2(2) . . . . ?
C28 N8 C27 C26 -179.3(2) . . . . ?
C28 N7 C22 C27 -0.5(3) . . . . ?
C28 N7 C22 C23 179.0(3) . . . . ?
C32 N9 C31 Ag2 -137.60(15) . . . . ?
C32 N9 C31 Ag2 133.70(16) . . . 2_765 ?
C32 N9 C31 N9 0.28(11) . . . 4 ?
C32 N9 C30 C28 100.7(2) . . . . ?
C20 N6 C14 N5 1.2(2) . . . . ?
C20 N6 C14 C13 -175.1(2) . . . . ?
C20 C15 C16 C17 -1.2(3) . . . . ?
C20 C19 C18 C17 -0.8(4) . . . . ?
C14 N6 C20 C15 -1.3(2) . . . . ?
C14 N6 C20 C19 178.7(2) . . . . ?
C14 N5 C15 C20 -0.3(2) . . . . ?
C14 N5 C15 C16 -179.6(2) . . . . ?
C13 N4 C12 Ag1 -46.5(3) . . . . ?
C13 N4 C12 Ag1 43.1(2) . . . 2_665 ?
C13 N4 C12 N3 178.50(19) . . . . ?
C13 N4 C11 C10 -178.6(2) . . . . ?
C27 N8 C28 N7 1.0(2) . . . . ?
C27 N8 C28 C30 -176.55(19) . . . . ?
C27 C22 C23 C24 -0.7(4) . . . . ?
C27 C26 C25 C24 -0.9(4) . . . . ?
C10 N3 C12 Ag1 -139.72(16) . . . . ?
C10 N3 C12 Ag1 132.01(17) . . . 2_665 ?
C10 N3 C12 N4 -0.4(2) . . . . ?
C10 N3 C9 C7 98.7(2) . . . . ?
C6 N2 C7 N1 0.2(2) . . . . ?
C6 N2 C7 C9 179.97(19) . . . . ?
C6 C1 C2 C3 -0.7(4) . . . . ?
C6 C5 C4 C3 -1.0(4) . . . . ?
C1 N1 C7 N2 -0.1(3) . . . . ?
C1 N1 C7 C9 -179.9(2) . . . . ?
C1 C6 C5 C4 1.5(4) . . . . ?
C1 C2 C3 C4 1.1(4) . . . . ?
C11 N4 C12 Ag1 135.75(17) . . . . ?
C11 N4 C12 Ag1 -134.60(16) . . . 2_665 ?
C11 N4 C12 N3 0.8(2) . . . . ?
C11 N4 C13 C14 101.6(2) . . . . ?
C15 N5 C14 N6 -0.5(2) . . . . ?
C15 N5 C14 C13 175.7(2) . . . . ?
C15 C20 C19 C18 0.6(3) . . . . ?
C15 C16 C17 C18 1.1(4) . . . . ?
C22 N7 C28 N8 -0.3(3) . . . . ?
C22 N7 C28 C30 177.3(2) . . . . ?
C22 C27 C26 C25 0.9(4) . . . . ?
C22 C23 C24 C25 0.8(4) . . . . ?
C16 C17 C18 C19 -0.1(4) . . . . ?
C2 C3 C4 C5 -0.2(5) . . . . ?
C19 C20 C15 N5 -178.9(2) . . . . ?
C19 C20 C15 C16 0.4(3) . . . . ?
C23 C24 C25 C26 0.0(5) . . . . ?
C8 N2 C7 N1 175.9(2) . . . . ?
C8 N2 C7 C9 -4.3(3) . . . . ?
C8 N2 C6 C1 -175.9(2) . . . . ?
C8 N2 C6 C5 5.0(4) . . . . ?
C29 N8 C28 N7 -179.9(2) . . . . ?
C29 N8 C28 C30 2.6(3) . . . . ?
C29 N8 C27 C22 179.6(2) . . . . ?
C29 N8 C27 C26 1.5(4) . . . . ?
C21 N6 C20 C15 -179.1(2) . . . . ?
C21 N6 C20 C19 0.8(4) . . . . ?
C21 N6 C14 N5 178.9(2) . . . . ?
C21 N6 C14 C13 2.7(3) . . . . ?
C26 C27 C22 N7 179.4(2) . . . . ?
C26 C27 C22 C23 -0.2(4) . . . . ?
C5 C6 C1 N1 179.4(2) . . . . ?
C5 C6 C1 C2 -0.6(4) . . . . ?
