#------------------------------------------------------------------------------
#$Date: 2019-11-17 11:52:58 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229711 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/81/7048199.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_7048199
loop_
_publ_author_name
'Quezada-Miriel, Magdalena'
'Ochoa-Sanfelice, J Rubén'
'Mendoza-Tellez, Sebastian'
'Martinez-Otero, Diego'
'Asay, Matthew'
_publ_section_title
;
 Metalation behavior of a bis-saturated NHC ligand with a flexible m-xylyl
 linker.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17382
_journal_page_last               17391
_journal_paper_doi               10.1039/c8dt04181d
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C76 H100 Ag2 N8, 2(F6 P), 5(C2 H3 N)'
_chemical_formula_sum            'C86 H115 Ag2 F12 N13 P2'
_chemical_formula_weight         1836.58
_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
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-06-22 deposited with the CCDC.
2018-11-21 downloaded from the CCDC.
;
_cell_angle_alpha                94.7901(5)
_cell_angle_beta                 99.9807(5)
_cell_angle_gamma                100.9198(5)
_cell_formula_units_Z            1
_cell_length_a                   11.8752(2)
_cell_length_b                   12.8426(2)
_cell_length_c                   15.1054(2)
_cell_measurement_reflns_used    9390
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.45
_cell_volume                     2211.58(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirrors
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0212
_diffrn_reflns_av_unetI/netI     0.0112
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            73017
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.446
_diffrn_reflns_theta_min         1.780
_diffrn_source                   'Incoatec ImuS'
_exptl_absorpt_coefficient_mu    0.555
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7158
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ' SADABS-2016/2, Sheldrick'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_description       Prism
_exptl_crystal_F_000             954
_exptl_crystal_size_max          0.241
_exptl_crystal_size_mid          0.194
_exptl_crystal_size_min          0.179
_refine_diff_density_max         0.477
_refine_diff_density_min         -0.319
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         10113
_refine_ls_number_restraints     87
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0204
_refine_ls_R_factor_gt           0.0195
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0236P)²+1.3216P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0505
_refine_ls_wR_factor_ref         0.0512
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9750
_reflns_number_total             10113
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt04181d2.cif
_cod_data_source_block           mo_083AMS17_0m
_cod_depositor_comments
'Adding full bibliography for 7048197--7048200.cif.'
_cod_database_code               7048199
_shelx_shelxl_version_number     2016/6
_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. 
;
_shelx_estimated_absorpt_t_min   0.878
_shelx_estimated_absorpt_t_max   0.907
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 0.11483(2) 0.29858(2) 0.66436(2) 0.01206(3) Uani 1 1 d . . . . .
P1 P 0.51575(3) 0.83488(3) 0.64449(3) 0.02217(7) Uani 1 1 d . . . . .
F1 F 0.46433(9) 0.73757(8) 0.56495(8) 0.0432(2) Uani 1 1 d . . . . .
F2 F 0.38596(8) 0.84568(8) 0.65264(7) 0.0375(2) Uani 1 1 d . . . . .
F3 F 0.51620(7) 0.91678(7) 0.57032(6) 0.02858(18) Uani 1 1 d . . . . .
F4 F 0.64634(7) 0.82453(7) 0.63539(7) 0.0323(2) Uani 1 1 d . . . . .
F5 F 0.51630(9) 0.75287(8) 0.71853(8) 0.0472(3) Uani 1 1 d . . . . .
F6 F 0.56873(8) 0.93246(7) 0.72282(6) 0.03131(19) Uani 1 1 d . . . . .
N1 N 0.14292(9) 0.76628(8) 0.43325(7) 0.01486(19) Uani 1 1 d . . . . .
N2 N 0.10474(8) 0.86902(8) 0.33074(7) 0.01339(19) Uani 1 1 d . . . . .
N3 N 0.92276(16) 0.71039(13) 0.87389(10) 0.0451(4) Uani 1 1 d . . . . .
N4 N 0.60646(14) 1.27691(14) 0.74759(12) 0.0456(4) Uani 1 1 d . . . . .
C1 C 0.05929(10) 0.78550(9) 0.36935(8) 0.0123(2) Uani 1 1 d . . . . .
C2 C 0.22977(10) 0.91348(10) 0.36887(9) 0.0175(2) Uani 1 1 d . . . . .
H2A H 0.241590 0.986770 0.400031 0.021 Uiso 1 1 calc R U . . .
H2B H 0.277672 0.914277 0.321331 0.021 Uiso 1 1 calc R U . . .
C3 C 0.25861(10) 0.83487(10) 0.43586(9) 0.0178(2) Uani 1 1 d . . . . .
H3A H 0.313523 0.792827 0.416081 0.021 Uiso 1 1 calc R U . . .
H3B H 0.292703 0.872395 0.497358 0.021 Uiso 1 1 calc R U . . .
C4 C 0.22293(10) 0.51322(10) 0.49990(8) 0.0153(2) Uani 1 1 d . . . . .
H4 H 0.223950 0.524814 0.563003 0.018 Uiso 1 1 calc R U . . .
C5 C 0.18084(10) 0.58343(10) 0.44311(8) 0.0151(2) Uani 1 1 d . . . . .
C6 C 0.18057(11) 0.56653(10) 0.35098(8) 0.0181(2) Uani 1 1 d . . . . .
H6 H 0.153227 0.614434 0.311887 0.022 Uiso 1 1 calc R U . . .
C7 C 0.22024(11) 0.47959(10) 0.31583(8) 0.0190(2) Uani 1 1 d . . . . .
H7 H 0.219249 0.468050 0.252730 0.023 Uiso 1 1 calc R U . . .
C8 C 0.13286(11) 0.67435(10) 0.48344(8) 0.0170(2) Uani 1 1 d . . . . .
H8A H 0.049468 0.647865 0.485212 0.020 Uiso 1 1 calc R U . . .
H8B H 0.175349 0.697110 0.546565 0.020 Uiso 1 1 calc R U . . .
C9 C 0.04370(10) 0.90963(9) 0.25501(8) 0.0137(2) Uani 1 1 d . . . . .
C10 C -0.01408(10) 0.99280(10) 0.27074(8) 0.0158(2) Uani 1 1 d . . . . .
C11 C -0.07306(12) 1.03011(10) 0.19560(9) 0.0201(2) Uani 1 1 d . . . . .
H11 H -0.113466 1.086159 0.204255 0.024 Uiso 1 1 calc R U . . .
C12 C -0.07328(12) 0.98628(11) 0.10855(9) 0.0231(3) Uani 1 1 d . . . . .
H12 H -0.114535 1.011864 0.058081 0.028 Uiso 1 1 calc R U . . .
C13 C -0.01359(12) 0.90525(11) 0.09473(9) 0.0220(3) Uani 1 1 d . . . . .
H13 H -0.014076 0.876166 0.034699 0.026 Uiso 1 1 calc R U . . .
C14 C 0.04717(11) 0.86578(10) 0.16766(8) 0.0171(2) Uani 1 1 d . . . . .
C15 C -0.01498(11) 1.04115(10) 0.36574(9) 0.0199(2) Uani 1 1 d . . . . .
H15 H 0.036685 1.007668 0.409222 0.024 Uiso 1 1 calc R U . . .
C16 C 0.03448(15) 1.16165(12) 0.37961(11) 0.0345(3) Uani 1 1 d . . . . .
H16A H 0.114021 1.175501 0.367357 0.052 Uiso 1 1 calc R U . . .
H16B H 0.036141 1.189937 0.442222 0.052 Uiso 1 1 calc R U . . .
H16C H -0.015036 1.196672 0.338117 0.052 Uiso 1 1 calc R U . . .
C17 C -0.13780(13) 1.01548(14) 0.38662(11) 0.0318(3) Uani 1 1 d . . . . .
H17A H -0.190669 1.046596 0.344340 0.048 Uiso 1 1 calc R U . . .
H17B H -0.136070 1.045539 0.448764 0.048 Uiso 1 1 calc R U . . .
H17C H -0.165509 0.937840 0.380158 0.048 Uiso 1 1 calc R U . . .
C18 C 0.11277(12) 0.77746(11) 0.15174(9) 0.0217(3) Uani 1 1 d . . . . .
H18 H 0.161531 0.770424 0.211066 0.026 Uiso 1 1 calc R U . . .
C19 C 0.19526(15) 0.80457(13) 0.08563(12) 0.0351(4) Uani 1 1 d . . . . .
H19A H 0.149262 0.805793 0.025372 0.053 Uiso 1 1 calc R U . . .
H19B H 0.243020 0.750434 0.082590 0.053 Uiso 1 1 calc R U . . .
H19C H 0.246263 0.874843 0.106634 0.053 Uiso 1 1 calc R U . . .
C20 C 0.02769(14) 0.67080(11) 0.11912(11) 0.0287(3) Uani 1 1 d . . . . .
H20A H -0.019430 0.674608 0.059877 0.043 Uiso 1 1 calc R U . . .
H20B H -0.023760 0.655344 0.162654 0.043 Uiso 1 1 calc R U . . .
H20C H 0.071656 0.613975 0.113878 0.043 Uiso 1 1 calc R U . . .
C21 C 0.78461(16) 0.84348(15) 0.85061(12) 0.0418(4) Uani 1 1 d . . . . .
H21A H 0.813727 0.896206 0.812229 0.063 Uiso 1 1 calc R U . . .
H21B H 0.782075 0.880044 0.909607 0.063 Uiso 1 1 calc R U . . .
H21C H 0.705841 0.804726 0.821530 0.063 Uiso 1 1 calc R U . . .
C22 C 0.86187(15) 0.76871(13) 0.86313(10) 0.0328(3) Uani 1 1 d . . . . .
C23 C 0.43943(16) 1.13683(14) 0.64498(14) 0.0424(4) Uani 1 1 d . . . . .
H23A H 0.457519 1.127558 0.584295 0.064 Uiso 1 1 calc R U . . .
H23B H 0.366071 1.162071 0.641334 0.064 Uiso 1 1 calc R U . . .
H23C H 0.431370 1.068337 0.669903 0.064 Uiso 1 1 calc R U . . .
C24 C 0.53329(15) 1.21465(13) 0.70340(12) 0.0327(3) Uani 1 1 d . . . . .
C25 C 0.5270(7) 0.9803(5) -0.0713(6) 0.073(2) Uani 0.401(4) 1 d D U P A -1
H25A H 0.548829 1.043481 -0.101666 0.088 Uiso 0.401(4) 1 calc R U P A -1
H25B H 0.499755 0.917067 -0.116465 0.088 Uiso 0.401(4) 1 calc R U P A -1
H25C H 0.595092 0.970743 -0.028234 0.088 Uiso 0.401(4) 1 calc R U P A -1
C26 C 0.4346(5) 0.9943(4) -0.0234(4) 0.0404(12) Uani 0.401(4) 1 d D U P A -1
N5 N 0.3599(8) 1.0093(6) 0.0083(6) 0.060(2) Uani 0.401(4) 1 d D U P A -1
C25A C 0.450(2) 0.9725(15) -0.1426(16) 0.048(4) Uani 0.099(4) 1 d D U P A -2
H25D H 0.397019 0.973179 -0.199883 0.073 Uiso 0.099(4) 1 calc R U P A -2
H25E H 0.477488 0.905115 -0.143510 0.073 Uiso 0.099(4) 1 calc R U P A -2
H25F H 0.517210 1.032372 -0.134711 0.073 Uiso 0.099(4) 1 calc R U P A -2
C26A C 0.389(2) 0.9825(17) -0.0683(17) 0.047(3) Uani 0.099(4) 1 d D U P A -2
N5A N 0.340(3) 0.977(3) -0.011(2) 0.054(5) Uani 0.099(4) 1 d D U P A -2
C1' C 0.28824(10) 0.38466(9) 0.68469(8) 0.0134(2) Uani 1 1 d . . . . .
N1' N 0.35102(9) 0.39289(8) 0.61968(7) 0.01439(19) Uani 1 1 d . . . . .
C2' C 0.46869(10) 0.49917(10) 0.74855(9) 0.0176(2) Uani 1 1 d . . . . .
H2'A H 0.531636 0.472358 0.785960 0.021 Uiso 1 1 calc R U . . .
H2'B H 0.480757 0.577392 0.764314 0.021 Uiso 1 1 calc R U . . .
N2' N 0.35143(9) 0.44382(8) 0.76015(7) 0.01497(19) Uani 1 1 d . . . . .
C3' C 0.46373(10) 0.46994(10) 0.64729(9) 0.0181(2) Uani 1 1 d . . . . .
H3'A H 0.464535 0.533447 0.614307 0.022 Uiso 1 1 calc R U . . .
H3'B H 0.529792 0.436712 0.636939 0.022 Uiso 1 1 calc R U . . .
C5' C 0.26343(10) 0.42648(9) 0.46531(8) 0.0143(2) Uani 1 1 d . . . . .
C6' C 0.26119(11) 0.40978(10) 0.37243(8) 0.0168(2) Uani 1 1 d . . . . .
H6' H 0.287801 0.350408 0.347982 0.020 Uiso 1 1 calc R U . . .
C8' C 0.30819(11) 0.34820(10) 0.52568(8) 0.0164(2) Uani 1 1 d . . . . .
H8'A H 0.244191 0.285406 0.522769 0.020 Uiso 1 1 calc R U . . .
H8'B H 0.372106 0.322962 0.501792 0.020 Uiso 1 1 calc R U . . .
C9' C 0.31043(10) 0.46072(10) 0.84337(8) 0.0155(2) Uani 1 1 d . . . . .
C10' C 0.24759(11) 0.54152(10) 0.85311(8) 0.0178(2) Uani 1 1 d . . . . .
C11' C 0.20610(12) 0.55480(11) 0.93366(9) 0.0224(3) Uani 1 1 d . . . . .
H11' H 0.160447 0.606972 0.941296 0.027 Uiso 1 1 calc R U . . .
C12' C 0.23078(13) 0.49280(12) 1.00245(9) 0.0255(3) Uani 1 1 d . . . . .
H12' H 0.202544 0.503193 1.056955 0.031 Uiso 1 1 calc R U . . .
C13' C 0.29647(13) 0.41567(11) 0.99215(9) 0.0236(3) Uani 1 1 d . . . . .
H13' H 0.313854 0.374545 1.040231 0.028 Uiso 1 1 calc R U . . .
C14' C 0.33738(11) 0.39756(10) 0.91235(9) 0.0179(2) Uani 1 1 d . . . . .
C15' C 0.22315(12) 0.61293(11) 0.77973(9) 0.0205(3) Uani 1 1 d . . . . .
H15' H 0.273513 0.602297 0.734507 0.025 Uiso 1 1 calc R U . . .
C16' C 0.09534(13) 0.58031(12) 0.73062(10) 0.0272(3) Uani 1 1 d . . . . .
H16D H 0.081494 0.625214 0.682143 0.041 Uiso 1 1 calc R U . . .
H16E H 0.044066 0.589598 0.773698 0.041 Uiso 1 1 calc R U . . .
H16F H 0.078695 0.505256 0.704582 0.041 Uiso 1 1 calc R U . . .
C17' C 0.25345(14) 0.73125(12) 0.81767(11) 0.0306(3) Uani 1 1 d . . . . .
H17D H 0.245329 0.774925 0.767670 0.046 Uiso 1 1 calc R U . . .
H17E H 0.334150 0.749539 0.851575 0.046 Uiso 1 1 calc R U . . .
H17F H 0.200260 0.745035 0.858060 0.046 Uiso 1 1 calc R U . . .
C18' C 0.40445(12) 0.30969(10) 0.89903(9) 0.0206(3) Uani 1 1 d . . . . .
H18' H 0.452348 0.328670 0.852162 0.025 Uiso 1 1 calc R U . . .
C19' C 0.48782(13) 0.29802(12) 0.98486(11) 0.0317(3) Uani 1 1 d . . . . .
H19D H 0.535432 0.246674 0.970633 0.047 Uiso 1 1 calc R U . . .
H19E H 0.442671 0.272419 1.030101 0.047 Uiso 1 1 calc R U . . .
H19F H 0.538909 0.367469 1.008970 0.047 Uiso 1 1 calc R U . . .
C20' C 0.31975(15) 0.20375(12) 0.86283(12) 0.0353(4) Uani 1 1 d . . . . .
H20D H 0.268034 0.212127 0.807016 0.053 Uiso 1 1 calc R U . . .
H20E H 0.272883 0.182148 0.908142 0.053 Uiso 1 1 calc R U . . .
H20F H 0.363951 0.148935 0.850102 0.053 Uiso 1 1 calc R U . . .
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'
N N 0.0061 0.0033 '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'
P P 0.1023 0.0942 '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'
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
C1 Ag1 C1' 174.41(4) 2_566 .
F2 P1 F5 90.66(6) . .
F2 P1 F3 89.79(5) . .
F5 P1 F3 179.55(6) . .
F2 P1 F6 90.55(5) . .
F5 P1 F6 90.11(6) . .
F3 P1 F6 89.91(5) . .
F2 P1 F1 90.23(6) . .
F5 P1 F1 90.47(6) . .
F3 P1 F1 89.50(6) . .
F6 P1 F1 179.02(6) . .
F2 P1 F4 179.45(6) . .
F5 P1 F4 89.87(5) . .
F3 P1 F4 89.68(5) . .
F6 P1 F4 89.58(5) . .
F1 P1 F4 89.63(5) . .
C1 N1 C8 125.36(10) . .
C1 N1 C3 113.22(10) . .
C8 N1 C3 120.18(10) . .
C1 N2 C9 124.76(10) . .
C1 N2 C2 113.62(10) . .
C9 N2 C2 121.48(10) . .
N2 C1 N1 108.25(10) . .
N2 C1 Ag1 125.30(8) . 2_566
N1 C1 Ag1 126.45(9) . 2_566
N2 C2 C3 101.91(9) . .
N2 C2 H2A 111.4 . .
C3 C2 H2A 111.4 . .
N2 C2 H2B 111.4 . .
C3 C2 H2B 111.4 . .
H2A C2 H2B 109.3 . .
N1 C3 C2 102.46(9) . .
N1 C3 H3A 111.3 . .
C2 C3 H3A 111.3 . .
N1 C3 H3B 111.3 . .
C2 C3 H3B 111.3 . .
H3A C3 H3B 109.2 . .
C5' C4 C5 120.91(11) . .
C5' C4 H4 119.5 . .
C5 C4 H4 119.5 . .
C6 C5 C4 119.23(11) . .
C6 C5 C8 121.76(11) . .
C4 C5 C8 118.98(11) . .
C5 C6 C7 120.17(11) . .
C5 C6 H6 119.9 . .
C7 C6 H6 119.9 . .
C6' C7 C6 120.32(11) . .
C6' C7 H7 119.8 . .
C6 C7 H7 119.8 . .
N1 C8 C5 113.36(10) . .
N1 C8 H8A 108.9 . .
C5 C8 H8A 108.9 . .
N1 C8 H8B 108.9 . .
C5 C8 H8B 108.9 . .
H8A C8 H8B 107.7 . .
C10 C9 C14 122.51(11) . .
C10 C9 N2 119.27(10) . .
C14 C9 N2 118.20(11) . .
C11 C10 C9 117.81(11) . .
C11 C10 C15 120.22(11) . .
C9 C10 C15 121.96(11) . .
C12 C11 C10 120.74(12) . .
C12 C11 H11 119.6 . .
C10 C11 H11 119.6 . .
C11 C12 C13 120.34(12) . .
C11 C12 H12 119.8 . .
C13 C12 H12 119.8 . .
C12 C13 C14 121.00(12) . .
C12 C13 H13 119.5 . .
C14 C13 H13 119.5 . .
C13 C14 C9 117.55(12) . .
C13 C14 C18 120.57(11) . .
C9 C14 C18 121.88(11) . .
C10 C15 C17 110.75(11) . .
C10 C15 C16 111.38(11) . .
C17 C15 C16 111.35(12) . .
C10 C15 H15 107.7 . .
C17 C15 H15 107.7 . .
C16 C15 H15 107.7 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C14 C18 C20 110.73(11) . .
C14 C18 C19 111.58(12) . .
C20 C18 C19 111.18(12) . .
C14 C18 H18 107.7 . .
C20 C18 H18 107.7 . .
C19 C18 H18 107.7 . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C22 C21 H21A 109.5 . .
C22 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C22 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N3 C22 C21 179.29(17) . .
C24 C23 H23A 109.5 . .
C24 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C24 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N4 C24 C23 178.49(19) . .
C26 C25 H25A 109.5 . .
C26 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C26 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
N5 C26 C25 174.6(8) . .
C26A C25A H25D 109.5 . .
C26A C25A H25E 109.5 . .
H25D C25A H25E 109.5 . .
C26A C25A H25F 109.5 . .
H25D C25A H25F 109.5 . .
H25E C25A H25F 109.5 . .
N5A C26A C25A 171(3) . .
N1' C1' N2' 108.68(10) . .
N1' C1' Ag1 123.68(9) . .
N2' C1' Ag1 127.55(9) . .
C1' N1' C8' 124.98(10) . .
C1' N1' C3' 113.30(10) . .
C8' N1' C3' 120.77(10) . .
N2' C2' C3' 102.14(9) . .
N2' C2' H2'A 111.3 . .
C3' C2' H2'A 111.3 . .
N2' C2' H2'B 111.3 . .
C3' C2' H2'B 111.3 . .
H2'A C2' H2'B 109.2 . .
C1' N2' C9' 125.07(10) . .
C1' N2' C2' 113.01(10) . .
C9' N2' C2' 121.77(10) . .
N1' C3' C2' 102.33(9) . .
N1' C3' H3'A 111.3 . .
C2' C3' H3'A 111.3 . .
N1' C3' H3'B 111.3 . .
C2' C3' H3'B 111.3 . .
H3'A C3' H3'B 109.2 . .
C4 C5' C6' 119.17(11) . .
C4 C5' C8' 121.81(11) . .
C6' C5' C8' 119.01(11) . .
C7 C6' C5' 120.18(11) . .
C7 C6' H6' 119.9 . .
C5' C6' H6' 119.9 . .
N1' C8' C5' 113.83(10) . .
N1' C8' H8'A 108.8 . .
C5' C8' H8'A 108.8 . .
N1' C8' H8'B 108.8 . .
C5' C8' H8'B 108.8 . .
H8'A C8' H8'B 107.7 . .
C10' C9' C14' 122.59(11) . .
C10' C9' N2' 118.55(11) . .
C14' C9' N2' 118.85(11) . .
C11' C10' C9' 117.57(12) . .
C11' C10' C15' 120.04(11) . .
C9' C10' C15' 122.39(11) . .
C12' C11' C10' 120.82(12) . .
C12' C11' H11' 119.6 . .
C10' C11' H11' 119.6 . .
C11' C12' C13' 120.36(13) . .
C11' C12' H12' 119.8 . .
C13' C12' H12' 119.8 . .
C12' C13' C14' 121.01(12) . .
C12' C13' H13' 119.5 . .
C14' C13' H13' 119.5 . .
C13' C14' C9' 117.57(12) . .
C13' C14' C18' 121.21(12) . .
C9' C14' C18' 121.17(11) . .
C10' C15' C17' 111.94(11) . .
C10' C15' C16' 110.31(11) . .
C17' C15' C16' 110.76(11) . .
C10' C15' H15' 107.9 . .
C17' C15' H15' 107.9 . .
C16' C15' H15' 107.9 . .
C15' C16' H16D 109.5 . .
C15' C16' H16E 109.5 . .
H16D C16' H16E 109.5 . .
C15' C16' H16F 109.5 . .
H16D C16' H16F 109.5 . .
H16E C16' H16F 109.5 . .
C15' C17' H17D 109.5 . .
C15' C17' H17E 109.5 . .
H17D C17' H17E 109.5 . .
C15' C17' H17F 109.5 . .
H17D C17' H17F 109.5 . .
H17E C17' H17F 109.5 . .
C14' C18' C19' 113.02(11) . .
C14' C18' C20' 110.21(11) . .
C19' C18' C20' 110.46(12) . .
C14' C18' H18' 107.6 . .
C19' C18' H18' 107.6 . .
C20' C18' H18' 107.6 . .
C18' C19' H19D 109.5 . .
C18' C19' H19E 109.5 . .
H19D C19' H19E 109.5 . .
C18' C19' H19F 109.5 . .
H19D C19' H19F 109.5 . .
H19E C19' H19F 109.5 . .
C18' C20' H20D 109.5 . .
C18' C20' H20E 109.5 . .
H20D C20' H20E 109.5 . .
C18' C20' H20F 109.5 . .
H20D C20' H20F 109.5 . .
H20E C20' H20F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C1 2.0971(12) 2_566
Ag1 C1' 2.1020(12) .
P1 F2 1.5980(9) .
P1 F5 1.5990(10) .
P1 F3 1.5995(9) .
P1 F6 1.6006(9) .
P1 F1 1.6074(10) .
P1 F4 1.6095(9) .
N1 C1 1.3340(15) .
N1 C8 1.4527(15) .
N1 C3 1.4770(15) .
N2 C1 1.3327(15) .
N2 C9 1.4357(15) .
N2 C2 1.4798(15) .
N3 C22 1.138(2) .
N4 C24 1.134(2) .
C2 C3 1.5304(17) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5' 1.3922(17) .
C4 C5 1.3964(16) .
C4 H4 0.9500 .
C5 C6 1.3899(17) .
C5 C8 1.5207(16) .
C6 C7 1.3920(18) .
C6 H6 0.9500 .
C7 C6' 1.3857(18) .
C7 H7 0.9500 .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.4000(17) .
C9 C14 1.4013(16) .
C10 C11 1.3967(17) .
C10 C15 1.5179(17) .
C11 C12 1.3858(19) .
C11 H11 0.9500 .
C12 C13 1.387(2) .
C12 H12 0.9500 .
C13 C14 1.3955(18) .
C13 H13 0.9500 .
C14 C18 1.5183(17) .
C15 C17 1.5264(19) .
C15 C16 1.531(2) .
C15 H15 1.0000 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C20 1.5266(19) .
C18 C19 1.5316(19) .
C18 H18 1.0000 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C22 1.450(3) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C23 C24 1.452(3) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C25 C26 1.445(6) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 N5 1.118(7) .
C25A C26A 1.449(10) .
C25A H25D 0.9800 .
C25A H25E 0.9800 .
C25A H25F 0.9800 .
C26A N5A 1.115(10) .
C1' N1' 1.3313(15) .
C1' N2' 1.3351(15) .
N1' C8' 1.4516(15) .
N1' C3' 1.4767(15) .
C2' N2' 1.4851(15) .
C2' C3' 1.5325(18) .
C2' H2'A 0.9900 .
C2' H2'B 0.9900 .
N2' C9' 1.4392(15) .
C3' H3'A 0.9900 .
C3' H3'B 0.9900 .
C5' C6' 1.3962(17) .
C5' C8' 1.5206(16) .
C6' H6' 0.9500 .
C8' H8'A 0.9900 .
C8' H8'B 0.9900 .
C9' C10' 1.4005(17) .
C9' C14' 1.4035(17) .
C10' C11' 1.3990(18) .
C10' C15' 1.5207(17) .
C11' C12' 1.386(2) .
C11' H11' 0.9500 .
C12' C13' 1.387(2) .
C12' H12' 0.9500 .
C13' C14' 1.3935(18) .
C13' H13' 0.9500 .
C14' C18' 1.5187(17) .
C15' C17' 1.5306(19) .
C15' C16' 1.5318(19) .
C15' H15' 1.0000 .
C16' H16D 0.9800 .
C16' H16E 0.9800 .
C16' H16F 0.9800 .
C17' H17D 0.9800 .
C17' H17E 0.9800 .
C17' H17F 0.9800 .
C18' C19' 1.5255(19) .
C18' C20' 1.526(2) .
C18' H18' 1.0000 .
C19' H19D 0.9800 .
C19' H19E 0.9800 .
C19' H19F 0.9800 .
C20' H20D 0.9800 .
C20' H20E 0.9800 .
C20' H20F 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
C9 N2 C1 N1 175.82(10) .
C2 N2 C1 N1 0.12(13) .
C9 N2 C1 Ag1 -5.03(16) 2_566
C2 N2 C1 Ag1 179.27(8) 2_566
C8 N1 C1 N2 -172.18(10) .
C3 N1 C1 N2 -5.00(14) .
C8 N1 C1 Ag1 8.68(17) 2_566
C3 N1 C1 Ag1 175.86(8) 2_566
C1 N2 C2 C3 4.35(13) .
C9 N2 C2 C3 -171.50(10) .
C1 N1 C3 C2 7.44(13) .
C8 N1 C3 C2 175.36(10) .
N2 C2 C3 N1 -6.49(12) .
C5' C4 C5 C6 -0.56(18) .
C5' C4 C5 C8 177.48(11) .
C4 C5 C6 C7 0.96(18) .
C8 C5 C6 C7 -177.03(12) .
C5 C6 C7 C6' -0.54(19) .
C1 N1 C8 C5 95.22(14) .
C3 N1 C8 C5 -71.13(14) .
C6 C5 C8 N1 -29.09(16) .
C4 C5 C8 N1 152.92(11) .
C1 N2 C9 C10 93.70(14) .
C2 N2 C9 C10 -90.92(14) .
C1 N2 C9 C14 -87.97(14) .
C2 N2 C9 C14 87.41(14) .
C14 C9 C10 C11 2.03(18) .
N2 C9 C10 C11 -179.71(11) .
C14 C9 C10 C15 -178.68(11) .
N2 C9 C10 C15 -0.43(17) .
C9 C10 C11 C12 -0.42(19) .
C15 C10 C11 C12 -179.72(12) .
C10 C11 C12 C13 -0.7(2) .
C11 C12 C13 C14 0.4(2) .
C12 C13 C14 C9 1.17(19) .
C12 C13 C14 C18 -179.67(12) .
C10 C9 C14 C13 -2.40(18) .
N2 C9 C14 C13 179.33(11) .
C10 C9 C14 C18 178.45(11) .
N2 C9 C14 C18 0.17(17) .
C11 C10 C15 C17 66.68(16) .
C9 C10 C15 C17 -112.59(14) .
C11 C10 C15 C16 -57.82(16) .
C9 C10 C15 C16 122.91(13) .
C13 C14 C18 C20 -72.67(16) .
C9 C14 C18 C20 106.46(14) .
C13 C14 C18 C19 51.74(17) .
C9 C14 C18 C19 -129.12(13) .
N2' C1' N1' C8' -173.90(10) .
Ag1 C1' N1' C8' 2.74(16) .
N2' C1' N1' C3' -5.00(14) .
Ag1 C1' N1' C3' 171.65(8) .
N1' C1' N2' C9' 175.73(11) .
Ag1 C1' N2' C9' -0.75(17) .
N1' C1' N2' C2' 0.16(14) .
Ag1 C1' N2' C2' -176.32(8) .
C3' C2' N2' C1' 4.28(13) .
C3' C2' N2' C9' -171.45(10) .
C1' N1' C3' C2' 7.38(13) .
C8' N1' C3' C2' 176.81(10) .
N2' C2' C3' N1' -6.42(12) .
C5 C4 C5' C6' -0.26(18) .
C5 C4 C5' C8' -179.20(11) .
C6 C7 C6' C5' -0.30(19) .
C4 C5' C6' C7 0.69(18) .
C8' C5' C6' C7 179.66(11) .
C1' N1' C8' C5' 94.66(14) .
C3' N1' C8' C5' -73.47(14) .
C4 C5' C8' N1' -24.72(16) .
C6' C5' C8' N1' 156.33(11) .
C1' N2' C9' C10' -84.14(15) .
C2' N2' C9' C10' 91.06(14) .
C1' N2' C9' C14' 97.44(14) .
C2' N2' C9' C14' -87.36(14) .
C14' C9' C10' C11' -3.18(19) .
N2' C9' C10' C11' 178.46(11) .
C14' C9' C10' C15' 177.28(12) .
N2' C9' C10' C15' -1.08(18) .
C9' C10' C11' C12' 2.6(2) .
C15' C10' C11' C12' -177.88(13) .
C10' C11' C12' C13' -0.5(2) .
C11' C12' C13' C14' -1.0(2) .
C12' C13' C14' C9' 0.5(2) .
C12' C13' C14' C18' -177.08(13) .
C10' C9' C14' C13' 1.67(19) .
N2' C9' C14' C13' -179.97(11) .
C10' C9' C14' C18' 179.25(12) .
N2' C9' C14' C18' -2.39(17) .
C11' C10' C15' C17' 49.34(17) .
C9' C10' C15' C17' -131.13(13) .
C11' C10' C15' C16' -74.47(15) .
C9' C10' C15' C16' 105.06(14) .
C13' C14' C18' C19' -38.33(18) .
C9' C14' C18' C19' 144.18(13) .
C13' C14' C18' C20' 85.81(16) .
C9' C14' C18' C20' -91.68(15) .
