#------------------------------------------------------------------------------
#$Date: 2015-08-05 21:35:26 +0200 (Wed 05 de Aug de 2015) $
#$Revision: 152887 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/60/4086008.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_4086008
loop_
_publ_author_name
'Liu, Qing-Xiang'
'Huo, Ran'
'Liu, Jun'
'Wei, Qing'
'Zhao, Xiao-Jun'
'Zhao, Zhi-Xiang'
_publ_section_title
;
 NHC Tetranuclear Silver(I) Complexes and Intramolecular Extended π--π
 Interactions
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3167
_journal_paper_doi               10.1021/acs.organomet.5b00188
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C52 H72 Ag2 N10, 2(F6 P)'
_chemical_formula_sum            'C52 H72 Ag2 F12 N10 P2'
_chemical_formula_weight         1342.87
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2015-06-04
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                105.738(3)
_cell_angle_beta                 96.198(3)
_cell_angle_gamma                102.474(3)
_cell_formula_units_Z            2
_cell_length_a                   11.6665(17)
_cell_length_b                   15.880(2)
_cell_length_c                   20.137(3)
_cell_measurement_temperature    173(2)
_cell_volume                     3450.5(8)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      173.15
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_unetI/netI     0.0844
_diffrn_reflns_laue_measured_fraction_full 0.996
_diffrn_reflns_laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19313
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         1.067
_exptl_absorpt_coefficient_mu    0.684
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6162
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0871 before and 0.0428 after correction.
The Ratio of minimum to maximum transmission is 0.8263.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_description       block
_exptl_crystal_F_000             1372
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.262
_refine_diff_density_min         -1.153
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     733
_refine_ls_number_reflns         12113
_refine_ls_number_restraints     182
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.1273
_refine_ls_R_factor_gt           0.0847
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1523P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2287
_refine_ls_wR_factor_ref         0.2496
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7462
_reflns_number_total             12113
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om5b00188_si_005.cif
_cod_data_source_block           n140604c_sqd
_cod_depositor_comments
'Adding full bibliography for 4086005--4086009.cif.'
_cod_original_cell_volume        3450.6(9)
_cod_database_code               4086008
_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   0.904
_shelx_estimated_absorpt_t_min   0.887
_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
 C15-C17 = C16-C18 = C49-C51 = C50-C52
 2.54 with sigma of 0.01
 C4-C2 = C4'-C2' = C3-C1 = C3'-C1'
 2.54 with sigma of 0.01
 N1-C3 = N1-C3' = N5-C16 = N10-C50
 2.5 with sigma of 0.01
 C15-C16 = C16-C17 = C17-C18 = C49-C50 = C50-C51 = C51-C52
 1.53 with sigma of 0.01
 C4-C3 = C4'-C3' = C3-C2 = C3'-C2' = C2-C1 = C2'-C1'
 1.53 with sigma of 0.01
 N1-C4 = N1-C4' = N5-C15 = N10-C49
 1.46 with sigma of 0.005
 C15-C17 = C15'-C17' = C16-C18 = C16'-C18'
 2.54 with sigma of 0.01
 N5-C16 = N5-C16'
 2.46 with sigma of 0.01
 C17-C18 = C17'-C18'
 1.53 with sigma of 0.01
 C15-C16 = C16-C17 = C15'-C16' = C16'-C17'
 1.51 with sigma of 0.01
 N5-C15 = N5-C15'
 1.47 with sigma of 0.01
3. Rigid bond restraints
 C16', C15'
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C16, C15
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C16', C17'
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C17, C16
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 N2, C7
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 N10, C48
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 Ag2, C14
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C48, Ag2
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4: within 1.7A with sigma of 0.005 and sigma for
terminal atoms of 0.01
C1' \\sim C2' \\sim C3' \\sim C4': within 1.7A with sigma of 0.005 and sigma
for terminal atoms of 0.01
N10 \\sim C49 \\sim C50 \\sim C51 \\sim C52: within 1.7A with sigma of 0.001
and sigma for terminal atoms of 0.002
Uanis(C49) \\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C52)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C18) \\sim Ueq, Uanis(C18') \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C4) \\sim Ueq, Uanis(C4') \\sim Ueq: with sigma of 0.003 and sigma for
terminal atoms of 0.006
Uanis(C16) \\sim Ueq, Uanis(C16') \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C17) \\sim Ueq, Uanis(C17') \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C4) = Uanis(C4')
Uanis(C3) = Uanis(C3')
Uanis(C2) = Uanis(C2')
Uanis(C1) = Uanis(C1')
Uanis(C18) = Uanis(C18')
Uanis(C17) = Uanis(C17')
Uanis(C16) = Uanis(C16')
Uanis(C15) = Uanis(C15')
5. Others
 Sof(C1')=Sof(H1'A)=Sof(H1'B)=Sof(H1'C)=Sof(C2')=Sof(H2'A)=Sof(H2'B)=Sof(C3')=
 Sof(H3'A)=Sof(H3'B)=Sof(C4')=Sof(H4'A)=Sof(H4'B)=Sof(C15')=Sof(H15C)=Sof(H15D)=
 Sof(C16')=Sof(H16C)=Sof(H16D)=Sof(C17')=Sof(H17C)=Sof(H17D)=Sof(C18')=
 Sof(H18D)=Sof(H18E)=Sof(H18F)=1-FVAR(1)
 Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(H1C)=Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(C3)=Sof(H3A)=
 Sof(H3B)=Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(C15)=Sof(H15A)=Sof(H15B)=Sof(C16)=
 Sof(H16A)=Sof(H16B)=Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(C18)=Sof(H18A)=Sof(H18B)=
 Sof(H18C)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C2'(H2'A,H2'B), C3'(H3'A,H3'B),
 C4'(H4'A,H4'B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B),
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C15'(H15C,H15D), C16'(H16C,
 H16D), C17'(H17C,H17D), C19(H19A,H19B), C34(H34A,H34B), C35(H35A,H35B),
 C36(H36A,H36B), C40(H40A,H40B), C41(H41A,H41B), C42(H42A,H42B), C44(H44A,H44B),
  C45(H45A,H45B), C49(H49A,H49B), C50(H50A,H50B), C51(H51A,H51B)
6.b Me refined with riding coordinates:
 C52(H52A,H52B,H52C)
6.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C12(H12), C13(H13), C22(H22), C23(H23), C24(H24), C25(H25),
 C29(H29), C30(H30), C31(H31), C32(H32), C37(H37), C38(H38), C46(H46), C47(H47)
6.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C1'(H1'A,H1'B,H1'C), C18(H18A,H18B,H18C), C18'(H18D,H18E,
 H18F), C43(H43A,H43B,H43C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_platon_squeeze_void_probe_radius 1.20
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 0.47553(3) 0.30276(3) 1.23361(2) 0.03748(11) Uani 1 1 d . . . . .
Ag2 Ag 0.19418(4) 0.23582(3) 0.76795(2) 0.05912(14) Uani 1 1 d . U . . .
P1 P 0.22151(13) 0.51660(13) 0.36279(8) 0.0652(5) Uani 1 1 d . . . . .
P2 P 0.78507(11) 0.15127(10) 0.04436(8) 0.0454(4) Uani 1 1 d . . . . .
F1 F 0.1342(4) 0.5549(4) 0.4115(3) 0.161(2) Uani 1 1 d . . . . .
F2 F 0.2711(4) 0.4835(4) 0.4278(2) 0.134(2) Uani 1 1 d . . . . .
F3 F 0.3134(3) 0.4703(3) 0.3236(2) 0.0880(14) Uani 1 1 d . . . . .
F4 F 0.1731(5) 0.5456(4) 0.3044(3) 0.218(2) Uani 1 1 d . . . . .
F5 F 0.1197(3) 0.4232(3) 0.33411(19) 0.0843(14) Uani 1 1 d . . . . .
F6 F 0.3211(4) 0.6069(3) 0.3946(3) 0.146(2) Uani 1 1 d . . . . .
F7 F 0.7027(3) 0.2177(2) 0.0663(2) 0.0705(12) Uani 1 1 d . . . . .
F8 F 0.7548(5) 0.1099(3) 0.1048(3) 0.1101(17) Uani 1 1 d . . . . .
F9 F 0.8690(3) 0.0852(2) 0.0224(2) 0.0829(13) Uani 1 1 d . . . . .
F10 F 0.8116(5) 0.1915(3) -0.0172(2) 0.1058(16) Uani 1 1 d . . . . .
F11 F 0.8947(3) 0.2248(2) 0.09690(18) 0.0639(11) Uani 1 1 d . . . . .
F12 F 0.6761(3) 0.0740(2) -0.0061(2) 0.0951(15) Uani 1 1 d . . . . .
N1 N 0.3604(2) 0.6160(3) 0.61968(15) 0.0538(14) Uani 1 1 d D . . . .
N2 N 0.2556(3) 0.6393(3) 0.70063(18) 0.0382(10) Uani 1 1 d . U . . .
N3 N 0.1901(3) 0.5217(3) 0.79811(19) 0.0406(12) Uani 1 1 d . . . . .
N4 N 0.2233(4) 0.3705(3) 0.6838(2) 0.0553(15) Uani 1 1 d . . . . .
N5 N 0.3827(3) 0.3235(2) 0.6904(2) 0.0665(16) Uani 1 1 d D . . . .
N6 N 0.3805(3) 0.2001(3) 0.95623(18) 0.0344(11) Uani 1 1 d . . . . .
N7 N 0.3310(3) 0.1727(3) 1.09311(19) 0.0349(11) Uani 1 1 d . . . . .
N8 N 0.2107(3) 0.2188(3) 1.15889(19) 0.0354(11) Uani 1 1 d . . . . .
N9 N 0.1596(4) 0.0963(3) 0.8487(2) 0.0511(14) Uani 1 1 d . . . . .
N10 N 0.0026(4) 0.1469(3) 0.8428(3) 0.0959(5) Uani 1 1 d D U . . .
C1 C 0.5763(12) 0.8637(4) 0.5813(5) 0.098(3) Uani 0.552(4) 1 d D U P A 1
H1A H 0.6453 0.8542 0.5594 0.147 Uiso 0.552(4) 1 calc GR . P A 1
H1B H 0.5994 0.9212 0.6193 0.147 Uiso 0.552(4) 1 calc GR . P A 1
H1C H 0.5125 0.8655 0.5462 0.147 Uiso 0.552(4) 1 calc GR . P A 1
C2 C 0.5319(12) 0.7864(3) 0.6111(4) 0.0865(16) Uani 0.552(4) 1 d D U P A 1
H2A H 0.5951 0.7872 0.6484 0.104 Uiso 0.552(4) 1 calc R . P A 1
H2B H 0.4615 0.7960 0.6326 0.104 Uiso 0.552(4) 1 calc R . P A 1
C3 C 0.4981(8) 0.6947(3) 0.5558(3) 0.0785(13) Uani 0.552(4) 1 d D U P A 1
H3A H 0.5664 0.6879 0.5314 0.094 Uiso 0.552(4) 1 calc R . P A 1
H3B H 0.4305 0.6927 0.5206 0.094 Uiso 0.552(4) 1 calc R . P A 1
C4 C 0.4633(4) 0.6148(3) 0.5839(3) 0.0666(10) Uani 0.552(4) 1 d D U P A 1
H4A H 0.4448 0.5580 0.5445 0.080 Uiso 0.552(4) 1 calc R . P A 1
H4B H 0.5323 0.6146 0.6171 0.080 Uiso 0.552(4) 1 calc R . P A 1
C1' C 0.6845(9) 0.7769(5) 0.5223(5) 0.098(3) Uani 0.448(4) 1 d D U P A 2
H1'A H 0.6403 0.7773 0.4782 0.147 Uiso 0.448(4) 1 calc GR . P A 2
H1'B H 0.7685 0.7815 0.5184 0.147 Uiso 0.448(4) 1 calc GR . P A 2
H1'C H 0.6786 0.8283 0.5606 0.147 Uiso 0.448(4) 1 calc GR . P A 2
C2' C 0.6314(6) 0.6883(5) 0.5377(4) 0.0865(16) Uani 0.448(4) 1 d D U P A 2
H2'A H 0.5980 0.6396 0.4928 0.104 Uiso 0.448(4) 1 calc R . P A 2
H2'B H 0.6955 0.6708 0.5630 0.104 Uiso 0.448(4) 1 calc R . P A 2
C3' C 0.5340(5) 0.6977(5) 0.5815(4) 0.0785(13) Uani 0.448(4) 1 d D U P A 2
H3'A H 0.4801 0.7290 0.5621 0.094 Uiso 0.448(4) 1 calc R . P A 2
H3'B H 0.5707 0.7356 0.6300 0.094 Uiso 0.448(4) 1 calc R . P A 2
C4' C 0.4606(4) 0.6057(4) 0.5830(3) 0.0666(10) Uani 0.448(4) 1 d D U P A 2
H4'A H 0.4300 0.5655 0.5344 0.080 Uiso 0.448(4) 1 calc R . P A 2
H4'B H 0.5125 0.5770 0.6068 0.080 Uiso 0.448(4) 1 calc R . P A 2
C5 C 0.2436(4) 0.5972(4) 0.5862(3) 0.0538(18) Uani 1 1 d . . . . .
H5 H 0.2155 0.5782 0.5370 0.065 Uiso 1 1 calc R . . . .
C6 C 0.1768(5) 0.6114(4) 0.6379(2) 0.0524(17) Uani 1 1 d . . . . .
H6 H 0.0928 0.6036 0.6319 0.063 Uiso 1 1 calc R . . . .
C7 C 0.3713(4) 0.6437(4) 0.6911(2) 0.0414(13) Uani 1 1 d . U . . .
C8 C 0.2178(4) 0.6672(3) 0.7689(2) 0.0364(13) Uani 1 1 d . . . . .
H8A H 0.1783 0.7168 0.7701 0.044 Uiso 1 1 calc R . . . .
H8B H 0.2891 0.6909 0.8065 0.044 Uiso 1 1 calc R . . . .
C9 C 0.1342(4) 0.5910(3) 0.7826(2) 0.0432(15) Uani 1 1 d . . . . .
H9A H 0.0966 0.6160 0.8227 0.052 Uiso 1 1 calc R . . . .
H9B H 0.0701 0.5612 0.7411 0.052 Uiso 1 1 calc R . . . .
C10 C 0.1058(5) 0.4317(4) 0.7718(3) 0.0470(16) Uani 1 1 d . . . . .
H10A H 0.0246 0.4378 0.7778 0.056 Uiso 1 1 calc R . . . .
H10B H 0.1276 0.3933 0.7998 0.056 Uiso 1 1 calc R . . . .
C11 C 0.1051(5) 0.3861(4) 0.6954(3) 0.0522(17) Uani 1 1 d . . . . .
H11A H 0.0441 0.3274 0.6793 0.063 Uiso 1 1 calc R . . . .
H11B H 0.0832 0.4244 0.6672 0.063 Uiso 1 1 calc R . . . .
C12 C 0.2977(6) 0.4155(4) 0.6492(3) 0.0596(19) Uani 1 1 d . . . . .
H12 H 0.2832 0.4579 0.6261 0.072 Uiso 1 1 calc R . . . .
C13 C 0.3977(6) 0.3847(5) 0.6559(3) 0.068(2) Uani 1 1 d . . . . .
H13 H 0.4679 0.4041 0.6384 0.081 Uiso 1 1 calc R . . . .
C14 C 0.2730(5) 0.3144(4) 0.7101(3) 0.0551(11) Uani 1 1 d . U . . .
C15 C 0.4804(3) 0.2834(3) 0.7056(3) 0.0594(13) Uani 0.552(4) 1 d D U P A 1
H15A H 0.4617 0.2516 0.7407 0.071 Uiso 0.552(4) 1 calc R . P A 1
H15B H 0.5541 0.3325 0.7267 0.071 Uiso 0.552(4) 1 calc R . P A 1
C16 C 0.5035(4) 0.2173(3) 0.6417(3) 0.0923(9) Uani 0.552(4) 1 d D U P A 1
H16A H 0.5451 0.2521 0.6135 0.111 Uiso 0.552(4) 1 calc R . P A 1
H16B H 0.5578 0.1838 0.6576 0.111 Uiso 0.552(4) 1 calc R . P A 1
C17 C 0.3939(6) 0.1500(3) 0.5955(4) 0.0989(15) Uani 0.552(4) 1 d D U P A 1
H17A H 0.3691 0.1729 0.5566 0.119 Uiso 0.552(4) 1 calc R . P A 1
H17B H 0.3288 0.1463 0.6231 0.119 Uiso 0.552(4) 1 calc R . P A 1
C18 C 0.4080(10) 0.0550(3) 0.5643(7) 0.142(4) Uani 0.552(4) 1 d D U P A 1
H18A H 0.3963 0.0213 0.5982 0.213 Uiso 0.552(4) 1 calc GR . P A 1
H18B H 0.4882 0.0587 0.5530 0.213 Uiso 0.552(4) 1 calc GR . P A 1
H18C H 0.3486 0.0239 0.5214 0.213 Uiso 0.552(4) 1 calc GR . P A 1
C15' C 0.4483(7) 0.2650(4) 0.7137(5) 0.0594(13) Uani 0.448(4) 1 d D U P A 2
H15C H 0.5340 0.2972 0.7255 0.071 Uiso 0.448(4) 1 calc R . P A 2
H15D H 0.4231 0.2576 0.7576 0.071 Uiso 0.448(4) 1 calc R . P A 2
C16' C 0.4367(7) 0.1753(3) 0.6663(5) 0.0923(9) Uani 0.448(4) 1 d D U P A 2
H16C H 0.4819 0.1448 0.6925 0.111 Uiso 0.448(4) 1 calc R . P A 2
H16D H 0.4801 0.1842 0.6281 0.111 Uiso 0.448(4) 1 calc R . P A 2
C17' C 0.3220(8) 0.1097(5) 0.6323(5) 0.0989(15) Uani 0.448(4) 1 d D U P A 2
H17C H 0.2655 0.1423 0.6176 0.119 Uiso 0.448(4) 1 calc R . P A 2
H17D H 0.2891 0.0821 0.6671 0.119 Uiso 0.448(4) 1 calc R . P A 2
C18' C 0.3302(14) 0.0333(6) 0.5677(5) 0.142(4) Uani 0.448(4) 1 d D U P A 2
H18D H 0.3071 0.0482 0.5248 0.213 Uiso 0.448(4) 1 calc GR . P A 2
H18E H 0.2763 -0.0239 0.5667 0.213 Uiso 0.448(4) 1 calc GR . P A 2
H18F H 0.4122 0.0272 0.5705 0.213 Uiso 0.448(4) 1 calc GR . P A 2
C19 C 0.2432(5) 0.5491(4) 0.8735(2) 0.0449(15) Uani 1 1 d . . . . .
H19A H 0.1820 0.5659 0.9012 0.054 Uiso 1 1 calc R . . . .
H19B H 0.3094 0.6042 0.8837 0.054 Uiso 1 1 calc R . . . .
C20 C 0.2910(4) 0.4791(3) 0.8991(2) 0.0365(14) Uani 1 1 d . . . . .
C21 C 0.2295(4) 0.4303(3) 0.9370(2) 0.0344(13) Uani 1 1 d . . . . .
C22 C 0.1103(5) 0.4353(3) 0.9485(3) 0.0455(15) Uani 1 1 d . . . . .
H22 H 0.0744 0.4744 0.9300 0.055 Uiso 1 1 calc R . . . .
C23 C 0.0472(5) 0.3854(3) 0.9851(3) 0.0472(15) Uani 1 1 d . . . . .
H23 H -0.0316 0.3891 0.9906 0.057 Uiso 1 1 calc R . . . .
C24 C 0.1005(5) 0.3292(4) 1.0141(3) 0.0456(15) Uani 1 1 d . . . . .
H24 H 0.0580 0.2961 1.0406 0.055 Uiso 1 1 calc R . . . .
C25 C 0.2130(4) 0.3213(3) 1.0048(2) 0.0384(14) Uani 1 1 d . . . . .
H25 H 0.2461 0.2820 1.0245 0.046 Uiso 1 1 calc R . . . .
C26 C 0.2823(4) 0.3709(3) 0.9661(2) 0.0347(13) Uani 1 1 d . . . . .
C27 C 0.3943(4) 0.3594(3) 0.9560(2) 0.0335(13) Uani 1 1 d . . . . .
C28 C 0.4566(5) 0.4101(3) 0.9169(2) 0.0417(15) Uani 1 1 d . . . . .
C29 C 0.5783(5) 0.4041(4) 0.9051(2) 0.0449(15) Uani 1 1 d . . . . .
H29 H 0.6159 0.3666 0.9245 0.054 Uiso 1 1 calc R . . . .
C30 C 0.6373(5) 0.4530(4) 0.8660(3) 0.0583(19) Uani 1 1 d . . . . .
H30 H 0.7159 0.4497 0.8597 0.070 Uiso 1 1 calc R . . . .
C31 C 0.5829(5) 0.5076(4) 0.8353(3) 0.0541(18) Uani 1 1 d . . . . .
H31 H 0.6248 0.5400 0.8083 0.065 Uiso 1 1 calc R . . . .
C32 C 0.4692(5) 0.5146(4) 0.8442(3) 0.0509(17) Uani 1 1 d . . . . .
H32 H 0.4331 0.5505 0.8221 0.061 Uiso 1 1 calc R . . . .
C33 C 0.4042(4) 0.4680(3) 0.8867(2) 0.0361(14) Uani 1 1 d . . . . .
C34 C 0.4466(4) 0.2965(3) 0.9876(2) 0.0356(13) Uani 1 1 d . . . . .
H34A H 0.5306 0.3033 0.9810 0.043 Uiso 1 1 calc R . . . .
H34B H 0.4462 0.3145 1.0387 0.043 Uiso 1 1 calc R . . . .
C35 C 0.4311(4) 0.1391(4) 0.9876(2) 0.0438(15) Uani 1 1 d . . . . .
H35A H 0.5108 0.1395 0.9750 0.053 Uiso 1 1 calc R . . . .
H35B H 0.3798 0.0768 0.9664 0.053 Uiso 1 1 calc R . . . .
C36 C 0.4436(4) 0.1626(4) 1.0679(2) 0.0438(15) Uani 1 1 d . . . . .
H36A H 0.4697 0.1143 1.0829 0.053 Uiso 1 1 calc R . . . .
H36B H 0.5063 0.2197 1.0899 0.053 Uiso 1 1 calc R . . . .
C37 C 0.2172(4) 0.1236(3) 1.0581(2) 0.0391(14) Uani 1 1 d . . . . .
H37 H 0.1969 0.0781 1.0139 0.047 Uiso 1 1 calc R . . . .
C38 C 0.1408(5) 0.1529(4) 1.0992(3) 0.0463(16) Uani 1 1 d . . . . .
H38 H 0.0562 0.1326 1.0893 0.056 Uiso 1 1 calc R . . . .
C39 C 0.3264(4) 0.2307(3) 1.1556(2) 0.0304(12) Uani 1 1 d . . . . .
C40 C 0.1589(5) 0.2677(4) 1.2144(3) 0.0569(18) Uani 1 1 d . . . . .
H40A H 0.1095 0.3021 1.1954 0.068 Uiso 1 1 calc R . . . .
H40B H 0.2237 0.3117 1.2513 0.068 Uiso 1 1 calc R . . . .
C41 C 0.0801(5) 0.2032(4) 1.2477(3) 0.0558(18) Uani 1 1 d . . . . .
H41A H 0.0460 0.2397 1.2847 0.067 Uiso 1 1 calc R . . . .
H41B H 0.0130 0.1614 1.2112 0.067 Uiso 1 1 calc R . . . .
C42 C 0.1480(6) 0.1487(4) 1.2789(3) 0.0629(19) Uani 1 1 d . . . . .
H42A H 0.2151 0.1905 1.3154 0.075 Uiso 1 1 calc R . . . .
H42B H 0.1821 0.1122 1.2418 0.075 Uiso 1 1 calc R . . . .
C43 C 0.0712(7) 0.0859(5) 1.3112(3) 0.085(3) Uani 1 1 d . . . . .
H43A H 0.0384 0.1217 1.3485 0.127 Uiso 1 1 calc GR . . . .
H43B H 0.1200 0.0523 1.3307 0.127 Uiso 1 1 calc GR . . . .
H43C H 0.0057 0.0432 1.2750 0.127 Uiso 1 1 calc GR . . . .
C44 C 0.3762(5) 0.1702(4) 0.8803(2) 0.0472(16) Uani 1 1 d . . . . .
H44A H 0.4549 0.1608 0.8711 0.057 Uiso 1 1 calc R . . . .
H44B H 0.3616 0.2187 0.8610 0.057 Uiso 1 1 calc R . . . .
C45 C 0.2799(5) 0.0827(4) 0.8421(3) 0.0531(17) Uani 1 1 d . . . . .
H45A H 0.2865 0.0634 0.7919 0.064 Uiso 1 1 calc R . . . .
H45B H 0.2921 0.0342 0.8622 0.064 Uiso 1 1 calc R . . . .
C46 C 0.0826(6) 0.0500(5) 0.8814(3) 0.073(2) Uani 1 1 d . . . . .
H46 H 0.0945 0.0049 0.9024 0.087 Uiso 1 1 calc R . . . .
C47 C -0.0161(6) 0.0842(5) 0.8768(3) 0.080(2) Uani 1 1 d . . . . .
H47 H -0.0863 0.0665 0.8949 0.096 Uiso 1 1 calc R . . . .
C48 C 0.1138(6) 0.1564(4) 0.8240(3) 0.0610(8) Uani 1 1 d . U . . .
C49 C -0.0786(4) 0.1980(3) 0.8229(2) 0.0973(4) Uani 1 1 d D U . . .
H49A H -0.0342 0.2620 0.8330 0.117 Uiso 1 1 calc R . . . .
H49B H -0.1425 0.1964 0.8514 0.117 Uiso 1 1 calc R . . . .
C50 C -0.1355(5) 0.1592(4) 0.7442(2) 0.0991(4) Uani 1 1 d D U . . .
H50A H -0.0715 0.1542 0.7160 0.119 Uiso 1 1 calc R . . . .
H50B H -0.1872 0.0976 0.7353 0.119 Uiso 1 1 calc R . . . .
C51 C -0.2099(6) 0.2184(4) 0.7207(3) 0.1012(5) Uani 1 1 d D U . . .
H51A H -0.1617 0.2820 0.7354 0.121 Uiso 1 1 calc R . . . .
H51B H -0.2808 0.2164 0.7438 0.121 Uiso 1 1 calc R . . . .
C52 C -0.2510(7) 0.1854(5) 0.6400(3) 0.1062(10) Uani 1 1 d D U . . .
H52A H -0.2981 0.2242 0.6265 0.159 Uiso 1 1 calc R . . . .
H52B H -0.1809 0.1884 0.6171 0.159 Uiso 1 1 calc R . . . .
H52C H -0.2998 0.1228 0.6255 0.159 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'
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
C7 Ag1 C39 171.8(2) 2_667 .
C48 Ag2 C14 179.01(19) . .
F1 P1 F2 85.8(3) . .
F1 P1 F5 87.2(3) . .
F3 P1 F1 170.5(3) . .
F3 P1 F2 84.9(3) . .
F3 P1 F5 90.9(2) . .
F4 P1 F1 92.9(4) . .
F4 P1 F2 178.3(3) . .
F4 P1 F3 96.4(3) . .
F4 P1 F5 89.6(3) . .
F4 P1 F6 93.2(4) . .
F5 P1 F2 89.3(3) . .
F6 P1 F1 91.4(3) . .
F6 P1 F2 88.0(3) . .
F6 P1 F3 90.0(2) . .
F6 P1 F5 177.0(3) . .
F7 P2 F9 179.5(2) . .
F7 P2 F11 89.40(17) . .
F7 P2 F12 92.08(18) . .
F8 P2 F7 90.0(3) . .
F8 P2 F9 90.4(3) . .
F8 P2 F10 178.4(3) . .
F8 P2 F11 89.6(2) . .
F8 P2 F12 87.8(3) . .
F10 P2 F7 89.4(3) . .
F10 P2 F9 90.3(3) . .
F10 P2 F11 91.8(2) . .
F10 P2 F12 90.7(3) . .
F11 P2 F9 90.17(17) . .
F11 P2 F12 177.1(3) . .
F12 P2 F9 88.36(18) . .
C5 N1 C4 124.6(4) . .
C5 N1 C4' 123.9(4) . .
C7 N1 C4 122.8(4) . .
C7 N1 C4' 123.7(4) . .
C7 N1 C5 112.4(4) . .
C6 N2 C8 122.4(4) . .
C7 N2 C6 112.4(4) . .
C7 N2 C8 125.1(3) . .
C9 N3 C19 110.6(4) . .
C10 N3 C9 110.6(4) . .
C10 N3 C19 114.6(4) . .
C12 N4 C11 124.1(6) . .
C14 N4 C11 123.5(5) . .
C14 N4 C12 112.2(6) . .
C13 N5 C14 109.2(5) . .
C13 N5 C15 119.8(5) . .
C13 N5 C15' 139.1(6) . .
C14 N5 C15 130.8(5) . .
C14 N5 C15' 111.7(6) . .
C35 N6 C34 112.9(3) . .
C44 N6 C34 111.4(4) . .
C44 N6 C35 109.0(4) . .
C37 N7 C36 125.6(4) . .
C39 N7 C36 123.9(3) . .
C39 N7 C37 110.5(4) . .
C38 N8 C40 122.2(4) . .
C39 N8 C38 111.0(4) . .
C39 N8 C40 126.8(4) . .
C46 N9 C45 123.1(6) . .
C48 N9 C45 124.0(5) . .
C48 N9 C46 112.9(6) . .
C47 N10 C48 110.2(5) . .
C47 N10 C49 128.9(5) . .
C48 N10 C49 120.8(5) . .
H1A C1 H1B 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
C1 C2 H2A 109.1 . .
C1 C2 H2B 109.1 . .
H2A C2 H2B 107.8 . .
C3 C2 C1 112.6(6) . .
C3 C2 H2A 109.1 . .
C3 C2 H2B 109.1 . .
C2 C3 H3A 108.6 . .
C2 C3 H3B 108.6 . .
C2 C3 C4 114.6(5) . .
H3A C3 H3B 107.6 . .
C4 C3 H3A 108.6 . .
C4 C3 H3B 108.6 . .
N1 C4 C3 113.6(5) . .
N1 C4 H4A 108.8 . .
N1 C4 H4B 108.8 . .
C3 C4 H4A 108.8 . .
C3 C4 H4B 108.8 . .
H4A C4 H4B 107.7 . .
H1'A C1' H1'B 109.5 . .
H1'A C1' H1'C 109.5 . .
H1'B C1' H1'C 109.5 . .
C2' C1' H1'A 109.5 . .
C2' C1' H1'B 109.5 . .
C2' C1' H1'C 109.5 . .
C1' C2' H2'A 109.3 . .
C1' C2' H2'B 109.3 . .
H2'A C2' H2'B 107.9 . .
C3' C2' C1' 111.7(6) . .
C3' C2' H2'A 109.3 . .
C3' C2' H2'B 109.3 . .
C2' C3' H3'A 109.2 . .
C2' C3' H3'B 109.2 . .
C2' C3' C4' 112.2(5) . .
H3'A C3' H3'B 107.9 . .
C4' C3' H3'A 109.2 . .
C4' C3' H3'B 109.2 . .
N1 C4' C3' 111.1(5) . .
N1 C4' H4'A 109.4 . .
N1 C4' H4'B 109.4 . .
C3' C4' H4'A 109.4 . .
C3' C4' H4'B 109.4 . .
H4'A C4' H4'B 108.0 . .
N1 C5 H5 126.9 . .
C6 C5 N1 106.3(4) . .
C6 C5 H5 126.9 . .
N2 C6 H6 126.9 . .
C5 C6 N2 106.3(4) . .
C5 C6 H6 126.9 . .
N1 C7 Ag1 129.0(3) . 2_667
N1 C7 N2 102.7(3) . .
N2 C7 Ag1 127.7(3) . 2_667
N2 C8 H8A 109.2 . .
N2 C8 H8B 109.2 . .
N2 C8 C9 112.1(4) . .
H8A C8 H8B 107.9 . .
C9 C8 H8A 109.2 . .
C9 C8 H8B 109.2 . .
N3 C9 C8 114.7(4) . .
N3 C9 H9A 108.6 . .
N3 C9 H9B 108.6 . .
C8 C9 H9A 108.6 . .
C8 C9 H9B 108.6 . .
H9A C9 H9B 107.6 . .
N3 C10 H10A 109.2 . .
N3 C10 H10B 109.2 . .
N3 C10 C11 112.2(5) . .
H10A C10 H10B 107.9 . .
C11 C10 H10A 109.2 . .
C11 C10 H10B 109.2 . .
N4 C11 C10 111.5(4) . .
N4 C11 H11A 109.3 . .
N4 C11 H11B 109.3 . .
C10 C11 H11A 109.3 . .
C10 C11 H11B 109.3 . .
H11A C11 H11B 108.0 . .
N4 C12 H12 128.2 . .
C13 C12 N4 103.5(6) . .
C13 C12 H12 128.2 . .
N5 C13 C12 110.4(6) . .
N5 C13 H13 124.8 . .
C12 C13 H13 124.8 . .
N4 C14 Ag2 125.3(5) . .
N4 C14 N5 104.6(5) . .
N5 C14 Ag2 130.1(4) . .
N5 C15 H15A 108.8 . .
N5 C15 H15B 108.8 . .
N5 C15 C16 113.6(4) . .
H15A C15 H15B 107.7 . .
C16 C15 H15A 108.8 . .
C16 C15 H15B 108.8 . .
C15 C16 H16A 108.5 . .
C15 C16 H16B 108.5 . .
H16A C16 H16B 107.5 . .
C17 C16 C15 115.0(4) . .
C17 C16 H16A 108.5 . .
C17 C16 H16B 108.5 . .
C16 C17 H17A 108.4 . .
C16 C17 H17B 108.4 . .
C16 C17 C18 115.3(6) . .
H17A C17 H17B 107.5 . .
C18 C17 H17A 108.4 . .
C18 C17 H17B 108.4 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N5 C15' H15C 107.7 . .
N5 C15' H15D 107.7 . .
H15C C15' H15D 107.1 . .
C16' C15' N5 118.3(6) . .
C16' C15' H15C 107.7 . .
C16' C15' H15D 107.7 . .
C15' C16' H16C 106.3 . .
C15' C16' H16D 106.3 . .
C15' C16' C17' 124.0(7) . .
H16C C16' H16D 106.4 . .
C17' C16' H16C 106.3 . .
C17' C16' H16D 106.3 . .
C16' C17' H17C 108.8 . .
C16' C17' H17D 108.8 . .
C16' C17' C18' 113.9(8) . .
H17C C17' H17D 107.7 . .
C18' C17' H17C 108.8 . .
C18' C17' H17D 108.8 . .
C17' C18' H18D 109.5 . .
C17' C18' H18E 109.5 . .
C17' C18' H18F 109.5 . .
H18D C18' H18E 109.5 . .
H18D C18' H18F 109.5 . .
H18E C18' H18F 109.5 . .
N3 C19 H19A 108.2 . .
N3 C19 H19B 108.2 . .
N3 C19 C20 116.5(4) . .
H19A C19 H19B 107.3 . .
C20 C19 H19A 108.2 . .
C20 C19 H19B 108.2 . .
C21 C20 C19 121.9(5) . .
C21 C20 C33 119.4(5) . .
C33 C20 C19 118.7(5) . .
C20 C21 C22 122.0(5) . .
C20 C21 C26 120.4(5) . .
C26 C21 C22 117.6(5) . .
C21 C22 H22 118.8 . .
C23 C22 C21 122.4(5) . .
C23 C22 H22 118.8 . .
C22 C23 H23 120.4 . .
C22 C23 C24 119.3(5) . .
C24 C23 H23 120.4 . .
C23 C24 H24 119.5 . .
C25 C24 C23 121.0(5) . .
C25 C24 H24 119.5 . .
C24 C25 H25 119.0 . .
C24 C25 C26 122.0(5) . .
C26 C25 H25 119.0 . .
C25 C26 C21 117.6(4) . .
C27 C26 C21 121.9(5) . .
C27 C26 C25 120.5(5) . .
C26 C27 C28 117.1(5) . .
C26 C27 C34 120.2(5) . .
C28 C27 C34 122.7(4) . .
C27 C28 C29 121.0(5) . .
C27 C28 C33 121.4(5) . .
C33 C28 C29 117.6(5) . .
C28 C29 H29 119.9 . .
C30 C29 C28 120.3(6) . .
C30 C29 H29 119.9 . .
C29 C30 H30 119.4 . .
C29 C30 C31 121.1(6) . .
C31 C30 H30 119.4 . .
C30 C31 H31 119.6 . .
C32 C31 C30 120.8(6) . .
C32 C31 H31 119.6 . .
C31 C32 H32 119.5 . .
C31 C32 C33 121.0(6) . .
C33 C32 H32 119.5 . .
C20 C33 C28 119.7(5) . .
C20 C33 C32 121.1(5) . .
C28 C33 C32 119.2(5) . .
N6 C34 C27 113.0(3) . .
N6 C34 H34A 109.0 . .
N6 C34 H34B 109.0 . .
C27 C34 H34A 109.0 . .
C27 C34 H34B 109.0 . .
H34A C34 H34B 107.8 . .
N6 C35 H35A 108.4 . .
N6 C35 H35B 108.4 . .
N6 C35 C36 115.5(4) . .
H35A C35 H35B 107.5 . .
C36 C35 H35A 108.4 . .
C36 C35 H35B 108.4 . .
N7 C36 C35 112.9(4) . .
N7 C36 H36A 109.0 . .
N7 C36 H36B 109.0 . .
C35 C36 H36A 109.0 . .
C35 C36 H36B 109.0 . .
H36A C36 H36B 107.8 . .
N7 C37 H37 126.7 . .
C38 C37 N7 106.6(4) . .
C38 C37 H37 126.7 . .
N8 C38 H38 126.8 . .
C37 C38 N8 106.4(4) . .
C37 C38 H38 126.8 . .
N7 C39 Ag1 124.1(3) . .
N8 C39 Ag1 129.6(3) . .
N8 C39 N7 105.4(3) . .
N8 C40 H40A 109.2 . .
N8 C40 H40B 109.2 . .
N8 C40 C41 112.2(5) . .
H40A C40 H40B 107.9 . .
C41 C40 H40A 109.2 . .
C41 C40 H40B 109.2 . .
C40 C41 H41A 109.0 . .
C40 C41 H41B 109.0 . .
H41A C41 H41B 107.8 . .
C42 C41 C40 113.1(5) . .
C42 C41 H41A 109.0 . .
C42 C41 H41B 109.0 . .
C41 C42 H42A 109.0 . .
C41 C42 H42B 109.0 . .
C41 C42 C43 113.0(6) . .
H42A C42 H42B 107.8 . .
C43 C42 H42A 109.0 . .
C43 C42 H42B 109.0 . .
C42 C43 H43A 109.5 . .
C42 C43 H43B 109.5 . .
C42 C43 H43C 109.5 . .
H43A C43 H43B 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
N6 C44 H44A 108.8 . .
N6 C44 H44B 108.8 . .
N6 C44 C45 113.6(4) . .
H44A C44 H44B 107.7 . .
C45 C44 H44A 108.8 . .
C45 C44 H44B 108.8 . .
N9 C45 C44 110.8(4) . .
N9 C45 H45A 109.5 . .
N9 C45 H45B 109.5 . .
C44 C45 H45A 109.5 . .
C44 C45 H45B 109.5 . .
H45A C45 H45B 108.1 . .
N9 C46 H46 128.1 . .
N9 C46 C47 103.8(7) . .
C47 C46 H46 128.1 . .
N10 C47 C46 109.4(6) . .
N10 C47 H47 125.3 . .
C46 C47 H47 125.3 . .
N9 C48 Ag2 126.3(5) . .
N9 C48 N10 103.6(5) . .
N10 C48 Ag2 130.0(5) . .
N10 C49 H49A 109.2 . .
N10 C49 H49B 109.2 . .
N10 C49 C50 111.8(4) . .
H49A C49 H49B 107.9 . .
C50 C49 H49A 109.2 . .
C50 C49 H49B 109.2 . .
C49 C50 H50A 109.1 . .
C49 C50 H50B 109.1 . .
H50A C50 H50B 107.9 . .
C51 C50 C49 112.4(4) . .
C51 C50 H50A 109.1 . .
C51 C50 H50B 109.1 . .
C50 C51 H51A 109.4 . .
C50 C51 H51B 109.4 . .
C50 C51 C52 111.2(5) . .
H51A C51 H51B 108.0 . .
C52 C51 H51A 109.4 . .
C52 C51 H51B 109.4 . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52B 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C7 2.067(4) 2_667
Ag1 C39 2.093(4) .
Ag2 C14 2.070(6) .
Ag2 C48 2.057(7) .
P1 F1 1.590(5) .
P1 F2 1.632(6) .
P1 F3 1.588(4) .
P1 F4 1.475(6) .
P1 F5 1.603(4) .
P1 F6 1.561(4) .
P2 F7 1.583(4) .
P2 F8 1.570(5) .
P2 F9 1.593(4) .
P2 F10 1.571(5) .
P2 F11 1.585(3) .
P2 F12 1.589(3) .
N1 C4 1.466(4) .
N1 C4' 1.464(4) .
N1 C5 1.384(6) .
N1 C7 1.368(5) .
N2 C6 1.380(6) .
N2 C7 1.374(6) .
N2 C8 1.471(6) .
N3 C9 1.479(7) .
N3 C10 1.469(6) .
N3 C19 1.482(6) .
N4 C11 1.484(8) .
N4 C12 1.372(8) .
N4 C14 1.351(8) .
N5 C13 1.332(8) .
N5 C14 1.371(7) .
N5 C15 1.464(4) .
N5 C15' 1.461(7) .
N6 C34 1.482(6) .
N6 C35 1.478(7) .
N6 C44 1.464(6) .
N7 C36 1.484(6) .
N7 C37 1.385(5) .
N7 C39 1.357(5) .
N8 C38 1.395(6) .
N8 C39 1.333(6) .
N8 C40 1.447(7) .
N9 C45 1.479(8) .
N9 C46 1.374(9) .
N9 C48 1.366(8) .
N10 C47 1.348(9) .
N10 C48 1.379(8) .
N10 C49 1.464(4) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C1 C2 1.525(8) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C2 C3 1.515(6) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C3 C4 1.521(7) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C1' H1'A 0.9800 .
C1' H1'B 0.9800 .
C1' H1'C 0.9800 .
C1' C2' 1.535(8) .
C2' H2'A 0.9900 .
C2' H2'B 0.9900 .
C2' C3' 1.521(7) .
C3' H3'A 0.9900 .
C3' H3'B 0.9900 .
C3' C4' 1.536(7) .
C4' H4'A 0.9900 .
C4' H4'B 0.9900 .
C5 H5 0.9500 .
C5 C6 1.367(8) .
C6 H6 0.9500 .
C7 Ag1 2.067(4) 2_667
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C8 C9 1.491(7) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C10 C11 1.511(7) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 H12 0.9500 .
C12 C13 1.367(10) .
C13 H13 0.9500 .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C15 C16 1.514(5) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C16 C17 1.502(5) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C17 C18 1.520(6) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C15' H15C 0.9900 .
C15' H15D 0.9900 .
C15' C16' 1.452(7) .
C16' H16C 0.9900 .
C16' H16D 0.9900 .
C16' C17' 1.469(7) .
C17' H17C 0.9900 .
C17' H17D 0.9900 .
C17' C18' 1.548(8) .
C18' H18D 0.9800 .
C18' H18E 0.9800 .
C18' H18F 0.9800 .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C19 C20 1.527(8) .
C20 C21 1.376(7) .
C20 C33 1.410(7) .
C21 C22 1.449(7) .
C21 C26 1.445(7) .
C22 H22 0.9500 .
C22 C23 1.377(8) .
C23 H23 0.9500 .
C23 C24 1.404(8) .
C24 H24 0.9500 .
C24 C25 1.373(7) .
C25 H25 0.9500 .
C25 C26 1.441(7) .
C26 C27 1.385(7) .
C27 C28 1.420(7) .
C27 C34 1.517(7) .
C28 C29 1.483(8) .
C28 C33 1.433(8) .
C29 H29 0.9500 .
C29 C30 1.384(8) .
C30 H30 0.9500 .
C30 C31 1.406(9) .
C31 H31 0.9500 .
C31 C32 1.381(8) .
C32 H32 0.9500 .
C32 C33 1.448(8) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C35 C36 1.539(7) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 H37 0.9500 .
C37 C38 1.351(7) .
C38 H38 0.9500 .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C40 C41 1.563(9) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C41 C42 1.501(9) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C42 C43 1.521(10) .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C44 C45 1.531(7) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 H46 0.9500 .
C46 C47 1.381(11) .
C47 H47 0.9500 .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C49 C50 1.547(5) .
C50 H50A 0.9900 .
C50 H50B 0.9900 .
C50 C51 1.540(7) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C51 C52 1.550(6) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
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_4
N1 C5 C6 N2 0.7(7) .
N2 C8 C9 N3 72.1(5) .
N3 C10 C11 N4 62.1(7) .
N3 C19 C20 C21 -103.4(5) .
N3 C19 C20 C33 79.9(5) .
N4 C12 C13 N5 1.6(6) .
N5 C15 C16 C17 -46.3(7) .
N5 C15' C16' C17' -52.3(14) .
N6 C35 C36 N7 52.6(6) .
N6 C44 C45 N9 64.1(6) .
N7 C37 C38 N8 -0.7(6) .
N8 C40 C41 C42 59.5(6) .
N9 C46 C47 N10 0.4(6) .
N10 C49 C50 C51 -173.6(5) .
C1 C2 C3 C4 175.1(9) .
C2 C3 C4 N1 59.9(10) .
C4 N1 C5 C6 -176.1(5) .
C4 N1 C7 Ag1 4.4(8) 2_667
C4 N1 C7 N2 176.2(5) .
C1' C2' C3' C4' 166.7(6) .
C2' C3' C4' N1 -174.4(5) .
C4' N1 C5 C6 177.4(6) .
C4' N1 C7 Ag1 10.7(8) 2_667
C4' N1 C7 N2 -177.5(5) .
C5 N1 C4 C3 73.1(7) .
C5 N1 C4' C3' 102.2(6) .
C5 N1 C7 Ag1 -170.5(4) 2_667
C5 N1 C7 N2 1.4(6) .
C6 N2 C7 Ag1 171.1(4) 2_667
C6 N2 C7 N1 -0.9(6) .
C6 N2 C8 C9 65.0(7) .
C7 N1 C4 C3 -101.1(6) .
C7 N1 C4' C3' -79.1(7) .
C7 N1 C5 C6 -1.4(7) .
C7 N2 C6 C5 0.1(7) .
C7 N2 C8 C9 -119.8(5) .
C8 N2 C6 C5 175.8(5) .
C8 N2 C7 Ag1 -4.4(8) 2_667
C8 N2 C7 N1 -176.4(5) .
C9 N3 C10 C11 84.8(5) .
C9 N3 C19 C20 172.9(4) .
C10 N3 C9 C8 -147.4(4) .
C10 N3 C19 C20 47.0(6) .
C11 N4 C12 C13 175.6(4) .
C11 N4 C14 Ag2 2.4(6) .
C11 N4 C14 N5 -176.9(4) .
C12 N4 C11 C10 -110.6(6) .
C12 N4 C14 Ag2 178.4(3) .
C12 N4 C14 N5 -0.8(5) .
C13 N5 C14 Ag2 -177.4(4) .
C13 N5 C14 N4 1.8(5) .
C13 N5 C15 C16 -72.1(5) .
C13 N5 C15' C16' -88.8(9) .
C14 N4 C11 C10 65.0(6) .
C14 N4 C12 C13 -0.5(6) .
C14 N5 C13 C12 -2.3(6) .
C14 N5 C15 C16 113.2(5) .
C14 N5 C15' C16' 92.1(9) .
C15 N5 C13 C12 -178.0(4) .
C15 N5 C14 Ag2 -2.3(7) .
C15 N5 C14 N4 177.0(4) .
C15 C16 C17 C18 -141.7(8) .
C15' N5 C13 C12 178.6(6) .
C15' N5 C14 Ag2 2.0(6) .
C15' N5 C14 N4 -178.8(4) .
C15' C16' C17' C18' 161.5(10) .
C19 N3 C9 C8 84.6(5) .
C19 N3 C10 C11 -149.3(5) .
C19 C20 C21 C22 6.6(6) .
C19 C20 C21 C26 -174.2(4) .
C19 C20 C33 C28 173.1(4) .
C19 C20 C33 C32 -6.4(6) .
C20 C21 C22 C23 178.7(4) .
C20 C21 C26 C25 -179.7(4) .
C20 C21 C26 C27 -1.3(6) .
C21 C20 C33 C28 -3.6(6) .
C21 C20 C33 C32 176.9(4) .
C21 C22 C23 C24 1.6(7) .
C21 C26 C27 C28 1.2(6) .
C21 C26 C27 C34 179.8(4) .
C22 C21 C26 C25 -0.5(6) .
C22 C21 C26 C27 177.9(4) .
C22 C23 C24 C25 -1.9(7) .
C23 C24 C25 C26 0.9(7) .
C24 C25 C26 C21 0.2(6) .
C24 C25 C26 C27 -178.2(4) .
C25 C26 C27 C28 179.6(4) .
C25 C26 C27 C34 -1.8(6) .
C26 C21 C22 C23 -0.5(6) .
C26 C27 C28 C29 178.3(4) .
C26 C27 C28 C33 -2.4(6) .
C26 C27 C34 N6 66.7(5) .
C27 C28 C29 C30 179.1(4) .
C27 C28 C33 C20 3.7(6) .
C27 C28 C33 C32 -176.8(4) .
C28 C27 C34 N6 -114.7(4) .
C28 C29 C30 C31 -1.4(7) .
C29 C28 C33 C20 -177.1(4) .
C29 C28 C33 C32 2.4(6) .
C29 C30 C31 C32 0.7(8) .
C30 C31 C32 C33 1.7(7) .
C31 C32 C33 C20 176.3(4) .
C31 C32 C33 C28 -3.2(7) .
C33 C20 C21 C22 -176.7(4) .
C33 C20 C21 C26 2.4(6) .
C33 C28 C29 C30 -0.2(6) .
C34 N6 C35 C36 54.7(5) .
C34 N6 C44 C45 -162.5(4) .
C34 C27 C28 C29 -0.3(6) .
C34 C27 C28 C33 179.0(4) .
C35 N6 C34 C27 -179.4(4) .
C35 N6 C44 C45 72.4(6) .
C36 N7 C37 C38 179.4(5) .
C36 N7 C39 Ag1 -9.1(7) .
C36 N7 C39 N8 -179.3(5) .
C37 N7 C36 C35 34.3(7) .
C37 N7 C39 Ag1 169.3(4) .
C37 N7 C39 N8 -0.9(6) .
C38 N8 C39 Ag1 -169.0(4) .
C38 N8 C39 N7 0.5(6) .
C38 N8 C40 C41 59.7(7) .
C39 N7 C36 C35 -147.5(5) .
C39 N7 C37 C38 1.0(6) .
C39 N8 C38 C37 0.1(6) .
C39 N8 C40 C41 -122.4(5) .
C40 N8 C38 C37 178.3(5) .
C40 N8 C39 Ag1 12.9(8) .
C40 N8 C39 N7 -177.6(5) .
C40 C41 C42 C43 -180.0(4) .
C44 N6 C34 C27 57.6(5) .
C44 N6 C35 C36 179.0(4) .
C45 N9 C46 C47 178.8(4) .
C45 N9 C48 Ag2 3.6(6) .
C45 N9 C48 N10 -179.0(4) .
C46 N9 C45 C44 -117.8(5) .
C46 N9 C48 Ag2 -177.1(4) .
C46 N9 C48 N10 0.2(5) .
C47 N10 C48 Ag2 177.2(4) .
C47 N10 C48 N9 0.0(6) .
C47 N10 C49 C50 -102.0(7) .
C48 N9 C45 C44 61.4(6) .
C48 N9 C46 C47 -0.4(6) .
C48 N10 C47 C46 -0.2(6) .
C48 N10 C49 C50 74.9(6) .
C49 N10 C47 C46 177.0(5) .
C49 N10 C48 Ag2 -0.2(7) .
C49 N10 C48 N9 -177.5(4) .
C49 C50 C51 C52 172.1(5) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.001 0.500 595 188 ' '
2 0.095 0.456 0.153 12 -1 ' '
3 0.183 0.655 0.115 6 -1 ' '
4 0.329 0.755 0.124 6 -1 ' '
5 0.672 0.245 0.876 5 0 ' '
6 0.817 0.346 0.886 6 -1 ' '
7 0.905 0.543 0.847 12 -1 ' '
