#------------------------------------------------------------------------------
#$Date: 2020-08-06 16:00:44 +0300 (Thu, 06 Aug 2020) $
#$Revision: 254897 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/67/7126741.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_7126741
loop_
_publ_author_name
'Ward, Jas S.'
'Fiorini, Giorgia'
'Frontera, Antonio'
'Rissanen, Kari'
_publ_section_title
;
 Asymmetric [N-I-N]⁺ halonium complexes.
;
_journal_issue                   60
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8428
_journal_page_last               8431
_journal_paper_doi               10.1039/d0cc02758h
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C14 H20 Ag N4, F6 P, C7 H8'
_chemical_formula_sum            'C21 H28 Ag F6 N4 P'
_chemical_formula_weight         589.31
_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             2019-12-27
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-04-15 deposited with the CCDC.	2020-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                100.440(4)
_cell_angle_beta                 108.085(5)
_cell_angle_gamma                94.085(4)
_cell_formula_units_Z            2
_cell_length_a                   10.4171(6)
_cell_length_b                   10.7634(5)
_cell_length_c                   11.4213(7)
_cell_measurement_reflns_used    3565
_cell_measurement_temperature    120.00(13)
_cell_measurement_theta_max      27.5730
_cell_measurement_theta_min      2.3050
_cell_volume                     1185.99(12)
_computing_cell_refinement       'CrysAlisPro 1.171.39.43c (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.43c (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.43c (Rigaku OD, 2018)'
_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    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      120.00(13)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0107
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -87.00   3.00   1.00   40.00    --  -18.29 -57.00-150.00   90
  2  ω    -88.00  12.00   1.00   40.00    --  -18.29 -77.00 120.00  100
  3  ω    -77.00  -3.00   1.00   40.00    --  -18.29 127.00 -63.00   74
  4  ω    -39.00  51.00   1.00   40.00    --  -18.29  57.00  90.00   90
  5  ω    -91.00  26.00   1.00   40.00    --  -18.29 -19.00 -90.00  117
  6  ω    -95.00 -34.00   1.00   40.00    --  -18.29 178.00 120.00   61
  7  ω     -2.00  25.00   1.00   40.00    --   19.07  57.00  90.00   27
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0616238000
_diffrn_orient_matrix_UB_12      -0.0098841000
_diffrn_orient_matrix_UB_13      0.0132954000
_diffrn_orient_matrix_UB_21      0.0372652000
_diffrn_orient_matrix_UB_22      0.0129352000
_diffrn_orient_matrix_UB_23      0.0654365000
_diffrn_orient_matrix_UB_31      -0.0064612000
_diffrn_orient_matrix_UB_32      0.0656523000
_diffrn_orient_matrix_UB_33      0.0038855000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_unetI/netI     0.0517
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13360
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.102
_diffrn_reflns_theta_min         1.920
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.981
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.889
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.43c (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_description       block
_exptl_crystal_F_000             596
_exptl_crystal_size_max          0.102
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.039
_refine_diff_density_max         0.668
_refine_diff_density_min         -0.599
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     377
_refine_ls_number_reflns         5174
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0431
_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)+(0.0378P)²+1.2345P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0899
_refine_ls_wR_factor_ref         0.0996
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4096
_reflns_number_total             5174
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc02758h2.cif
_cod_data_source_block           1b_1
_cod_depositor_comments
'Adding full bibliography for 7126741--7126748.cif.'
_cod_database_code               7126741
_shelxl_version_number           2014/6
_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.
;
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(P61)=Sof(F62)=Sof(F63)=Sof(F64)=Sof(F65)=Sof(F66)=Sof(F67)=Sof(C111)=
 Sof(C116)=Sof(H116)=Sof(C115)=Sof(H115)=Sof(C114)=Sof(H114)=Sof(C113)=
 Sof(H113)=Sof(C112)=Sof(H112)=Sof(C117)=Sof(H11A)=Sof(H11B)=Sof(H11C)=1-FVAR(1)
 Sof(P51)=Sof(F52)=Sof(F53)=Sof(F54)=Sof(F55)=Sof(F56)=Sof(F57)=Sof(C103)=
 Sof(H103)=Sof(C102)=Sof(H102)=Sof(C101)=Sof(C106)=Sof(H106)=Sof(C105)=
 Sof(H105)=Sof(C104)=Sof(H104)=Sof(C107)=Sof(H10A)=Sof(H10B)=Sof(H10C)=FVAR(1)
3.a Free rotating group:
 P51(F52,F53,F54,F55,F56,F57), P61(F62,F63,F64,F65,F66,F67)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C12(H12), C13(H13), C15(H15), C16(H16),
 C103(H103), C102(H102), C106(H106), C105(H105), C104(H104), C116(H116),
 C115(H115), C114(H114), C113(H113), C112(H112)
3.c Fitted hexagon refined as free rotating group:
 C103(C102,C101,C106,C105,C104), C111(C116,C115,C114,C113,C112)
3.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C),
 C107(H10A,H10B,H10C), C117(H11A,H11B,H11C)
;
_ins_header
;
TITL OHS068_numabs in P-1 
REM P-1 (#2 in standard setting)
CELL 0.71073  10.417054  10.763375  11.421317 100.4397 108.0851  94.0849
ZERR    2.00   0.000603   0.000498   0.000692   0.0044   0.0054   0.0043
LATT  1
SFAC C H N F P I
UNIT 42.00 56.00 8.00 12.00 2.00 2.00
TREF
HKLF 4
END
;
_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 1.172
_oxdiff_exptl_absorpt_empirical_full_min 0.856
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 0.53047(3) 0.48125(3) 0.25878(3) 0.03348(10) Uani 1 1 d . . . . .
P51 P 0.82861(18) 0.20015(18) 0.21466(18) 0.0275(6) Uani 0.556(3) 1 d . . P A 1
F52 F 0.7666(3) 0.3171(3) 0.2809(3) 0.0511(19) Uani 0.556(3) 1 d G . P A 1
F53 F 0.8906(3) 0.0831(2) 0.1484(3) 0.0566(14) Uani 0.556(3) 1 d G . P A 1
F54 F 0.9732(2) 0.2912(2) 0.2526(3) 0.0517(14) Uani 0.556(3) 1 d G . P A 1
F55 F 0.7760(3) 0.2459(3) 0.0815(2) 0.0568(14) Uani 0.556(3) 1 d G . P A 1
F56 F 0.6840(2) 0.1091(3) 0.1767(3) 0.0495(14) Uani 0.556(3) 1 d G . P A 1
F57 F 0.8812(3) 0.1544(3) 0.3478(2) 0.0593(15) Uani 0.556(3) 1 d G . P A 1
P61 P 0.8468(2) 0.1987(2) 0.2529(2) 0.0255(8) Uani 0.444(3) 1 d . . P A 2
F62 F 0.9630(3) 0.2947(3) 0.3705(3) 0.0444(15) Uani 0.444(3) 1 d G . P A 2
F63 F 0.7305(4) 0.1027(4) 0.1353(3) 0.0518(18) Uani 0.444(3) 1 d G . P A 2
F64 F 0.7421(4) 0.3042(4) 0.2514(4) 0.050(2) Uani 0.444(3) 1 d G . P A 2
F65 F 0.9020(5) 0.2598(4) 0.1544(4) 0.078(2) Uani 0.444(3) 1 d G . P A 2
F66 F 0.9514(4) 0.0932(3) 0.2544(4) 0.066(2) Uani 0.444(3) 1 d G . P A 2
F67 F 0.7915(4) 0.1375(4) 0.3514(3) 0.0585(19) Uani 0.444(3) 1 d G . P A 2
N1 N 0.5907(3) 0.5923(3) 0.1465(3) 0.0308(7) Uani 1 1 d . . . . .
N7 N 0.7156(3) 0.8221(3) -0.0676(3) 0.0332(7) Uani 1 1 d . . . . .
N11 N 0.4682(3) 0.3748(3) 0.3732(3) 0.0250(6) Uani 1 1 d . . . . .
N17 N 0.3387(3) 0.1541(3) 0.5916(3) 0.0422(8) Uani 1 1 d . . . . .
C2 C 0.5076(4) 0.6650(3) 0.0818(4) 0.0349(9) Uani 1 1 d . . . . .
H2 H 0.4196 0.6626 0.0858 0.042 Uiso 1 1 calc R . . . .
C3 C 0.5432(4) 0.7417(3) 0.0109(4) 0.0311(8) Uani 1 1 d . . . . .
H3 H 0.4805 0.7894 -0.0313 0.037 Uiso 1 1 calc R . . . .
C4 C 0.6757(4) 0.7487(3) 0.0018(3) 0.0261(7) Uani 1 1 d . . . . .
C5 C 0.7622(4) 0.6715(3) 0.0695(3) 0.0293(8) Uani 1 1 d . . . . .
H5 H 0.8510 0.6718 0.0681 0.035 Uiso 1 1 calc R . . . .
C6 C 0.7166(4) 0.5970(3) 0.1362(4) 0.0325(8) Uani 1 1 d . . . . .
H6 H 0.7757 0.5459 0.1775 0.039 Uiso 1 1 calc R . . . .
C8 C 0.6238(5) 0.9029(4) -0.1329(4) 0.0433(10) Uani 1 1 d . . . . .
H8A H 0.5361 0.8538 -0.1785 0.065 Uiso 1 1 calc GR . . . .
H8B H 0.6606 0.9350 -0.1906 0.065 Uiso 1 1 calc GR . . . .
H8C H 0.6144 0.9731 -0.0723 0.065 Uiso 1 1 calc GR . . . .
C9 C 0.8581(4) 0.8414(5) -0.0603(4) 0.0510(12) Uani 1 1 d . . . . .
H9A H 0.9123 0.8881 0.0224 0.077 Uiso 1 1 calc GR . . . .
H9B H 0.8668 0.8885 -0.1219 0.077 Uiso 1 1 calc GR . . . .
H9C H 0.8889 0.7601 -0.0768 0.077 Uiso 1 1 calc GR . . . .
C12 C 0.3388(4) 0.3629(3) 0.3739(3) 0.0281(8) Uani 1 1 d . . . . .
H12 H 0.2773 0.4052 0.3228 0.034 Uiso 1 1 calc R . . . .
C13 C 0.2920(4) 0.2934(4) 0.4440(3) 0.0315(8) Uani 1 1 d . . . . .
H13 H 0.2013 0.2896 0.4401 0.038 Uiso 1 1 calc R . . . .
C14 C 0.3815(4) 0.2266(3) 0.5229(3) 0.0279(8) Uani 1 1 d . . . . .
C15 C 0.5178(3) 0.2419(3) 0.5241(3) 0.0244(7) Uani 1 1 d . . . . .
H15 H 0.5826 0.2030 0.5759 0.029 Uiso 1 1 calc R . . . .
C16 C 0.5547(3) 0.3129(3) 0.4501(3) 0.0242(7) Uani 1 1 d . . . . .
H16 H 0.6450 0.3195 0.4523 0.029 Uiso 1 1 calc R . . . .
C18 C 0.1988(4) 0.1487(5) 0.5935(4) 0.0600(14) Uani 1 1 d . . . . .
H18A H 0.1819 0.2328 0.6247 0.090 Uiso 1 1 calc GR . . . .
H18B H 0.1861 0.0936 0.6475 0.090 Uiso 1 1 calc GR . . . .
H18C H 0.1366 0.1162 0.5096 0.090 Uiso 1 1 calc GR . . . .
C19 C 0.4324(4) 0.0806(4) 0.6660(4) 0.0473(11) Uani 1 1 d . . . . .
H19A H 0.4636 0.0210 0.6110 0.071 Uiso 1 1 calc GR . . . .
H19B H 0.3862 0.0352 0.7095 0.071 Uiso 1 1 calc GR . . . .
H19C H 0.5091 0.1374 0.7262 0.071 Uiso 1 1 calc GR . . . .
C103 C 0.8402(6) 0.1455(4) 0.7336(5) 0.0312(16) Uani 0.556(3) 1 d . . P A 1
H103 H 0.8216 0.0570 0.7128 0.037 Uiso 0.556(3) 1 calc R . P A 1
C102 C 0.8781(5) 0.2108(6) 0.6524(4) 0.0273(15) Uani 0.556(3) 1 d G . P A 1
H102 H 0.8849 0.1659 0.5774 0.033 Uiso 0.556(3) 1 calc R . P A 1
C101 C 0.9060(6) 0.3431(6) 0.6834(5) 0.0211(19) Uani 0.556(3) 1 d G . P A 1
C106 C 0.8959(6) 0.4101(4) 0.7955(5) 0.0302(18) Uani 0.556(3) 1 d G . P A 1
H106 H 0.9145 0.4987 0.8162 0.036 Uiso 0.556(3) 1 calc R . P A 1
C105 C 0.8579(9) 0.3449(5) 0.8767(5) 0.029(2) Uani 0.556(3) 1 d G . P A 1
H105 H 0.8512 0.3898 0.9517 0.034 Uiso 0.556(3) 1 calc R . P A 1
C104 C 0.8301(8) 0.2126(5) 0.8457(5) 0.030(2) Uani 0.556(3) 1 d G . P A 1
H104 H 0.8047 0.1690 0.9000 0.036 Uiso 0.556(3) 1 calc R . P A 1
C107 C 0.9472(7) 0.4148(6) 0.5946(6) 0.0337(16) Uani 0.556(3) 1 d . . P A 1
H10A H 0.9600 0.3550 0.5271 0.050 Uiso 0.556(3) 1 calc GR . P A 1
H10B H 1.0308 0.4708 0.6401 0.050 Uiso 0.556(3) 1 calc GR . P A 1
H10C H 0.8769 0.4640 0.5604 0.050 Uiso 0.556(3) 1 calc GR . P A 1
C111 C 0.8642(7) 0.2125(6) 0.7177(6) 0.0226(18) Uani 0.444(3) 1 d . . P A 2
C116 C 0.9082(7) 0.3003(8) 0.6581(5) 0.027(3) Uani 0.444(3) 1 d G . P A 2
H116 H 0.9255 0.2722 0.5832 0.032 Uiso 0.444(3) 1 calc R . P A 2
C115 C 0.9263(6) 0.4300(7) 0.7104(6) 0.032(2) Uani 0.444(3) 1 d G . P A 2
H115 H 0.9558 0.4888 0.6705 0.038 Uiso 0.444(3) 1 calc R . P A 2
C114 C 0.9005(9) 0.4719(5) 0.8223(6) 0.029(2) Uani 0.444(3) 1 d G . P A 2
H114 H 0.9126 0.5587 0.8573 0.035 Uiso 0.444(3) 1 calc R . P A 2
C113 C 0.8565(11) 0.3841(7) 0.8819(6) 0.030(3) Uani 0.444(3) 1 d G . P A 2
H113 H 0.8392 0.4121 0.9568 0.036 Uiso 0.444(3) 1 calc R . P A 2
C112 C 0.8384(9) 0.2544(6) 0.8296(7) 0.026(2) Uani 0.444(3) 1 d G . P A 2
H112 H 0.8089 0.1956 0.8695 0.031 Uiso 0.444(3) 1 calc R . P A 2
C117 C 0.8474(10) 0.0703(8) 0.6603(9) 0.041(2) Uani 0.444(3) 1 d . . P A 2
H11A H 0.8332 0.0583 0.5716 0.062 Uiso 0.444(3) 1 calc GR . P A 2
H11B H 0.7703 0.0275 0.6729 0.062 Uiso 0.444(3) 1 calc GR . P A 2
H11C H 0.9281 0.0357 0.7003 0.062 Uiso 0.444(3) 1 calc GR . P A 2
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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-4 0 -13 0.0279
4 0 13 0.0279
-1 14 3 0.0207
4 -14 7 0.0183
-15 2 6 0.0370
15 0 -6 0.0462
2 -15 0 0.0181
-2 15 0 0.0214
7 13 -5 0.0361
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
N11 Ag1 N1 178.38(11) . . ?
F52 P51 F53 180.0 . . ?
F52 P51 F55 90.0 . . ?
F52 P51 F56 90.0 . . ?
F53 P51 F55 90.0 . . ?
F54 P51 F52 90.0 . . ?
F54 P51 F53 90.0 . . ?
F54 P51 F55 90.0 . . ?
F54 P51 F56 180.0 . . ?
F56 P51 F53 90.0 . . ?
F56 P51 F55 90.0 . . ?
F57 P51 F52 90.0 . . ?
F57 P51 F53 90.0 . . ?
F57 P51 F54 90.0 . . ?
F57 P51 F55 180.0 . . ?
F57 P51 F56 90.0 . . ?
F62 P61 F64 90.0 . . ?
F62 P61 F67 90.0 . . ?
F63 P61 F62 180.0 . . ?
F63 P61 F64 90.0 . . ?
F63 P61 F67 90.0 . . ?
F65 P61 F62 90.0 . . ?
F65 P61 F63 90.0 . . ?
F65 P61 F64 90.0 . . ?
F65 P61 F67 180.0 . . ?
F66 P61 F62 90.0 . . ?
F66 P61 F63 90.0 . . ?
F66 P61 F64 180.0 . . ?
F66 P61 F65 90.0 . . ?
F66 P61 F67 90.0 . . ?
F67 P61 F64 90.0 . . ?
C2 N1 Ag1 122.4(2) . . ?
C2 N1 C6 115.6(3) . . ?
C6 N1 Ag1 122.0(2) . . ?
C4 N7 C8 120.6(3) . . ?
C4 N7 C9 120.5(3) . . ?
C9 N7 C8 117.9(3) . . ?
C12 N11 Ag1 121.9(2) . . ?
C12 N11 C16 115.7(3) . . ?
C16 N11 Ag1 122.3(2) . . ?
C14 N17 C18 120.5(3) . . ?
C14 N17 C19 120.1(3) . . ?
C18 N17 C19 119.4(3) . . ?
N1 C2 H2 117.7 . . ?
N1 C2 C3 124.7(4) . . ?
C3 C2 H2 117.7 . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.8(3) . . ?
C4 C3 H3 120.1 . . ?
N7 C4 C3 122.2(3) . . ?
N7 C4 C5 122.7(3) . . ?
C3 C4 C5 115.1(3) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.6(3) . . ?
C6 C5 H5 119.7 . . ?
N1 C6 C5 124.1(3) . . ?
N1 C6 H6 117.9 . . ?
C5 C6 H6 117.9 . . ?
N7 C8 H8A 109.5 . . ?
N7 C8 H8B 109.5 . . ?
N7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N7 C9 H9A 109.5 . . ?
N7 C9 H9B 109.5 . . ?
N7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N11 C12 H12 117.7 . . ?
N11 C12 C13 124.6(3) . . ?
C13 C12 H12 117.7 . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 120.0(3) . . ?
C14 C13 H13 120.0 . . ?
N17 C14 C13 121.9(3) . . ?
N17 C14 C15 122.9(3) . . ?
C15 C14 C13 115.2(3) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.5(3) . . ?
C16 C15 H15 119.7 . . ?
N11 C16 C15 124.0(3) . . ?
N11 C16 H16 118.0 . . ?
C15 C16 H16 118.0 . . ?
N17 C18 H18A 109.5 . . ?
N17 C18 H18B 109.5 . . ?
N17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N17 C19 H19A 109.5 . . ?
N17 C19 H19B 109.5 . . ?
N17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C102 C103 H103 120.0 . . ?
C102 C103 C104 120.0 . . ?
C104 C103 H103 120.0 . . ?
C103 C102 H102 120.0 . . ?
C101 C102 C103 120.0 . . ?
C101 C102 H102 120.0 . . ?
C102 C101 C107 120.1(4) . . ?
C106 C101 C102 120.0 . . ?
C106 C101 C107 119.9(4) . . ?
C101 C106 H106 120.0 . . ?
C101 C106 C105 120.0 . . ?
C105 C106 H106 120.0 . . ?
C106 C105 H105 120.0 . . ?
C104 C105 C106 120.0 . . ?
C104 C105 H105 120.0 . . ?
C103 C104 H104 120.0 . . ?
C105 C104 C103 120.0 . . ?
C105 C104 H104 120.0 . . ?
C101 C107 H10A 109.5 . . ?
C101 C107 H10B 109.5 . . ?
C101 C107 H10C 109.5 . . ?
H10A C107 H10B 109.5 . . ?
H10A C107 H10C 109.5 . . ?
H10B C107 H10C 109.5 . . ?
C116 C111 C112 120.0 . . ?
C116 C111 C117 119.3(6) . . ?
C112 C111 C117 120.7(6) . . ?
C111 C116 H116 120.0 . . ?
C111 C116 C115 120.0 . . ?
C115 C116 H116 120.0 . . ?
C116 C115 H115 120.0 . . ?
C116 C115 C114 120.0 . . ?
C114 C115 H115 120.0 . . ?
C115 C114 H114 120.0 . . ?
C113 C114 C115 120.0 . . ?
C113 C114 H114 120.0 . . ?
C114 C113 H113 120.0 . . ?
C114 C113 C112 120.0 . . ?
C112 C113 H113 120.0 . . ?
C111 C112 H112 120.0 . . ?
C113 C112 C111 120.0 . . ?
C113 C112 H112 120.0 . . ?
C111 C117 H11A 109.5 . . ?
C111 C117 H11B 109.5 . . ?
C111 C117 H11C 109.5 . . ?
H11A C117 H11B 109.5 . . ?
H11A C117 H11C 109.5 . . ?
H11B C117 H11C 109.5 . . ?
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 N1 2.101(3) . ?
Ag1 N11 2.099(3) . ?
P51 F52 1.6271 . ?
P51 F53 1.6274 . ?
P51 F54 1.6271 . ?
P51 F55 1.6274 . ?
P51 F56 1.6273 . ?
P51 F57 1.6270 . ?
P61 F62 1.6273 . ?
P61 F63 1.6273 . ?
P61 F64 1.6276 . ?
P61 F65 1.6271 . ?
P61 F66 1.6271 . ?
P61 F67 1.6273 . ?
N1 C2 1.348(4) . ?
N1 C6 1.350(4) . ?
N7 C4 1.346(4) . ?
N7 C8 1.462(5) . ?
N7 C9 1.458(5) . ?
N11 C12 1.347(4) . ?
N11 C16 1.354(4) . ?
N17 C14 1.347(4) . ?
N17 C18 1.460(5) . ?
N17 C19 1.463(5) . ?
C2 H2 0.9300 . ?
C2 C3 1.365(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.414(5) . ?
C4 C5 1.416(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.357(5) . ?
C6 H6 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C12 H12 0.9300 . ?
C12 C13 1.358(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.417(5) . ?
C14 C15 1.413(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.357(4) . ?
C16 H16 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C103 H103 0.9300 . ?
C103 C102 1.3900 . ?
C103 C104 1.3900 . ?
C102 H102 0.9300 . ?
C102 C101 1.3900 . ?
C101 C106 1.3900 . ?
C101 C107 1.523(7) . ?
C106 H106 0.9300 . ?
C106 C105 1.3900 . ?
C105 H105 0.9300 . ?
C105 C104 1.3900 . ?
C104 H104 0.9300 . ?
C107 H10A 0.9600 . ?
C107 H10B 0.9600 . ?
C107 H10C 0.9600 . ?
C111 C116 1.3900 . ?
C111 C112 1.3900 . ?
C111 C117 1.526(10) . ?
C116 H116 0.9300 . ?
C116 C115 1.3900 . ?
C115 H115 0.9300 . ?
C115 C114 1.3900 . ?
C114 H114 0.9300 . ?
C114 C113 1.3900 . ?
C113 H113 0.9300 . ?
C113 C112 1.3900 . ?
C112 H112 0.9300 . ?
C117 H11A 0.9600 . ?
C117 H11B 0.9600 . ?
C117 H11C 0.9600 . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-3.9938 0.0040 -12.9881 0.0734 -0.9987 -0.0244
3.9938 -0.0040 12.9881 -0.0734 0.9987 0.0244
-0.9963 13.9801 3.0013 -0.0369 0.3401 0.9359
3.9916 -13.9832 6.9895 -0.0148 0.4252 -0.9167
-14.9810 2.0011 5.9873 0.9830 -0.1406 0.2514
14.9814 -0.0039 -5.9865 -1.0028 0.1665 -0.1203
1.9945 -14.9797 -0.0044 0.0251 -0.1197 -0.9964
-1.9945 14.9797 0.0044 -0.0251 0.1197 0.9964
6.9941 12.9804 -4.9868 -0.6256 0.1022 0.7876
