#------------------------------------------------------------------------------
#$Date: 2016-03-13 15:15:26 +0200 (Sun, 13 Mar 2016) $
#$Revision: 178177 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/27/1542776.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_1542776
loop_
_publ_author_name
'Wright, James S.'
'Vitórica-Yrezábal, Iñigo J.'
'Adams, Harry'
'Thompson, Stephen P.'
'Hill, Adrian H.'
'Brammer, Lee'
_publ_section_title
;
 Solvent-vapour-assisted pathways and the role of pre-organization in
 solid-state transformations of coordination polymers
;
_journal_issue                   2
_journal_name_full               IUCrJ
_journal_page_first              188
_journal_page_last               197
_journal_paper_doi               10.1107/S2052252515000147
_journal_volume                  2
_journal_year                    2015
_chemical_formula_moiety         'C20 H8 Ag2 F14 N2 O4'
_chemical_formula_sum            'C20 H8 Ag2 F14 N2 O4'
_chemical_formula_weight         822.02
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2014-07-28
_audit_creation_method
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_cell_angle_alpha                90
_cell_angle_beta                 118.142(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   27.578(3)
_cell_length_b                   9.2670(10)
_cell_length_c                   21.211(2)
_cell_measurement_reflns_used    3379
_cell_measurement_temperature    100
_cell_measurement_theta_max      24.224
_cell_measurement_theta_min      2.420
_cell_volume                     4780.0(9)
_computing_cell_refinement       'SAINT v7.60A (Bruker, 2009)'
_computing_data_reduction        'SAINT v7.60A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0643
_diffrn_reflns_av_unetI/netI     0.0874
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20167
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.458
_diffrn_reflns_theta_min         1.675
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.782
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6038
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1234 before and 0.0609 after correction.
The Ratio of minimum to maximum transmission is 0.8098.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.285
_exptl_crystal_description       plate
_exptl_crystal_F_000             3152
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.988
_refine_diff_density_min         -1.386
_refine_diff_density_rms         0.421
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         5445
_refine_ls_number_restraints     59
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1218
_refine_ls_R_factor_gt           0.0675
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1406P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1890
_refine_ls_wR_factor_ref         0.2299
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3234
_reflns_number_total             5445
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            bi5040.cif
_cod_data_source_block           2a
_cod_original_cell_volume        4779.9(9)
_cod_database_code               1542776
_publcif_datablock.id            {6b280de4-1b2d-4482-a45b-0ca7192d8a70}
_shelxl_version_number           2013-4
_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   0.948
_shelx_estimated_absorpt_t_min   0.536
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C1-C2
 1.54 with sigma of 0.001
 C2-C3
 1.54 with sigma of 0.001
 C3-C4
 1.54 with sigma of 0.001
 C1-C2'
 1.54 with sigma of 0.001
 C2'-C3'
 1.54 with sigma of 0.001
 C3'-C4'
 1.54 with sigma of 0.001
 C2-F2A
 1.35 with sigma of 0.001
 C2-F2B
 1.35 with sigma of 0.001
 C3-F3A
 1.35 with sigma of 0.001
 C3-F3B
 1.35 with sigma of 0.001
 C4-F4A
 1.35 with sigma of 0.001
 C4-F4B
 1.35 with sigma of 0.001
 C4-F4C
 1.35 with sigma of 0.001
 C2'-F2Z
 1.35 with sigma of 0.001
 C2'-F2Y
 1.35 with sigma of 0.001
 C3'-F3Y
 1.35 with sigma of 0.001
 C4'-F4X
 1.35 with sigma of 0.001
 C4'-F4Y
 1.35 with sigma of 0.001
 C4'-F4Z
 1.35 with sigma of 0.001
 F2A-F2B
 2.16 with sigma of 0.001
 F3A-F3B
 2.16 with sigma of 0.001
 F4A-F4B
 2.16 with sigma of 0.001
 F4B-F4C
 2.16 with sigma of 0.001
 F2Z-F2Y
 2.16 with sigma of 0.001
 F4X-F4Y
 2.16 with sigma of 0.001
 F4Y-F4Z
 2.16 with sigma of 0.001
 C2-C4
 2.6 with sigma of 0.001
 C2'-C4'
 2.6 with sigma of 0.001
 C11-C12
 1.54 with sigma of 0.001
 C12-C13
 1.54 with sigma of 0.001
 C13-C14
 1.54 with sigma of 0.001
 C11-C12'
 1.54 with sigma of 0.001
 C12'-C13'
 1.54 with sigma of 0.001
 C13'-C14'
 1.54 with sigma of 0.001
 C12-F12A
 1.35 with sigma of 0.001
 C12-F12B
 1.35 with sigma of 0.001
 C13-F13A
 1.35 with sigma of 0.001
 C13-F13B
 1.35 with sigma of 0.001
 C14-F14A
 1.35 with sigma of 0.001
 C14-F14B
 1.35 with sigma of 0.001
 C14-F14C
 1.35 with sigma of 0.001
 C12'-F12Z
 1.35 with sigma of 0.001
 C12'-F12Y
 1.35 with sigma of 0.001
 C13'-F13Z
 1.35 with sigma of 0.001
 C13'-F13Y
 1.35 with sigma of 0.001
 C14'-F14X
 1.35 with sigma of 0.001
 C14'-F14Y
 1.35 with sigma of 0.001
 C14'-F14Z
 1.35 with sigma of 0.001
 F12A-F12B
 2.16 with sigma of 0.001
 F13A-F13B
 2.16 with sigma of 0.001
 F14A-F14B
 2.16 with sigma of 0.001
 F14B-F14C
 2.16 with sigma of 0.001
 F12Z-F12Y
 2.16 with sigma of 0.001
 F13Z-F13Y
 2.16 with sigma of 0.001
 F14X-F14Y
 2.16 with sigma of 0.001
 F14Y-F14Z
 2.16 with sigma of 0.001
 C12-C14
 2.6 with sigma of 0.001
 C12'-C14'
 2.6 with sigma of 0.001
3. Uiso/Uaniso restraints and constraints
C2 \\sim C2': within 1.7A with sigma of 0.003 and sigma for terminal atoms of
0.006
4. Others
 Sof(C2')=Sof(F2Y)=Sof(F2Z)=Sof(C3')=Sof(F3Y)=Sof(F3Z)=Sof(C4')=Sof(F4X)=
 Sof(F4Y)=Sof(F4Z)=1-FVAR(1)
 Sof(C2)=Sof(F2A)=Sof(F2B)=Sof(C3)=Sof(F3A)=Sof(F3B)=Sof(C4)=Sof(F4A)=Sof(F4B)=
 Sof(F4C)=FVAR(1)
 Sof(C12')=Sof(F12Y)=Sof(F12Z)=Sof(C13')=Sof(F13Y)=Sof(F13Z)=Sof(C14')=
 Sof(F14X)=Sof(F14Y)=Sof(F14Z)=1-FVAR(2)
 Sof(C12)=Sof(F12A)=Sof(F12B)=Sof(C13)=Sof(F13A)=Sof(F13B)=Sof(C14)=Sof(F14A)=
 Sof(F14B)=Sof(F14C)=FVAR(2)
5.a Aromatic/amide H refined with riding coordinates:
 C101(H101), C102(H102), C103(H103), C104(H104), C107(H107), C108(H108),
 C109(H109), C110(H110)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
Ag1 Ag 0.49191(3) 0.28619(8) 0.08927(4) 0.0363(3) Uani 1 1 d . . . . .
Ag3 Ag 0.5000 -0.10850(9) 0.2500 0.0275(3) Uani 1 2 d S T P . .
Ag2 Ag 0.5000 0.31447(10) 0.2500 0.0342(3) Uani 1 2 d S T P . .
N1 N 0.4913(3) 0.2328(7) -0.0230(3) 0.0230(15) Uani 1 1 d . . . . .
N2 N 0.4985(3) 0.1585(7) -0.1475(3) 0.0223(14) Uani 1 1 d . . . . .
C100 C 0.4606(3) 0.1248(8) -0.0653(4) 0.0220(17) Uani 1 1 d . . . . .
C101 C 0.4222(3) 0.0503(9) -0.0508(4) 0.0280(19) Uani 1 1 d . . . . .
H101 H 0.4176 0.0788 -0.0109 0.034 Uiso 1 1 calc R . . . .
C102 C 0.3921(3) -0.0592(9) -0.0917(4) 0.0289(19) Uani 1 1 d . . . . .
H102 H 0.3667 -0.1069 -0.0804 0.035 Uiso 1 1 calc R . . . .
C103 C 0.3977(4) -0.1049(8) -0.1518(5) 0.030(2) Uani 1 1 d . . . . .
H103 H 0.3765 -0.1834 -0.1801 0.036 Uiso 1 1 calc R . . . .
C104 C 0.4339(3) -0.0358(9) -0.1688(4) 0.0299(19) Uani 1 1 d . . . . .
H104 H 0.4380 -0.0680 -0.2085 0.036 Uiso 1 1 calc R . . . .
C105 C 0.4653(3) 0.0837(8) -0.1278(4) 0.0211(17) Uani 1 1 d . . . . .
C106 C 0.5279(3) 0.2671(8) -0.1055(4) 0.0219(17) Uani 1 1 d . . . . .
C107 C 0.5630(4) 0.3496(9) -0.1246(5) 0.0282(19) Uani 1 1 d . . . . .
H107 H 0.5633 0.3301 -0.1684 0.034 Uiso 1 1 calc R . . . .
C108 C 0.5955(3) 0.4536(9) -0.0816(4) 0.0274(18) Uani 1 1 d . . . . .
H108 H 0.6194 0.5053 -0.0942 0.033 Uiso 1 1 calc R . . . .
C109 C 0.5940(3) 0.4872(9) -0.0158(4) 0.0298(19) Uani 1 1 d . . . . .
H109 H 0.6175 0.5602 0.0148 0.036 Uiso 1 1 calc R . . . .
C110 C 0.5599(3) 0.4166(8) 0.0028(4) 0.0264(19) Uani 1 1 d . . . . .
H110 H 0.5587 0.4426 0.0453 0.032 Uiso 1 1 calc R . . . .
C111 C 0.5256(3) 0.3031(8) -0.0411(4) 0.0241(18) Uani 1 1 d . . . . .
O1A O 0.5761(3) 0.4287(9) 0.2651(3) 0.058(2) Uani 1 1 d . . . . .
O1B O 0.5555(3) 0.4573(7) 0.1511(3) 0.0421(16) Uani 1 1 d . . . . .
C1 C 0.5833(3) 0.4787(7) 0.2162(5) 0.0294(19) Uani 1 1 d D . . . .
C2 C 0.6290(3) 0.5879(7) 0.2288(5) 0.027(3) Uiso 0.437(8) 1 d D . . A 1
F2A F 0.6397(6) 0.6685(14) 0.2869(5) 0.071(5) Uiso 0.437(8) 1 d D . . A 1
F2B F 0.6150(5) 0.6813(12) 0.1741(5) 0.050(4) Uiso 0.437(8) 1 d D . . A 1
C3 C 0.6821(4) 0.5106(7) 0.2407(6) 0.059(7) Uiso 0.437(8) 1 d D . . A 1
F3A F 0.6721(5) 0.4502(11) 0.1778(5) 0.031(3) Uiso 0.437(8) 1 d D . . A 1
F3B F 0.6941(8) 0.4009(13) 0.2876(6) 0.095(6) Uiso 0.437(8) 1 d D . . A 1
C4 C 0.7316(3) 0.6100(13) 0.2584(7) 0.080(10) Uiso 0.437(8) 1 d D . . A 1
F4A F 0.7240(8) 0.7165(17) 0.2112(11) 0.143(10) Uiso 0.437(8) 1 d D . . A 1
F4B F 0.7749(4) 0.5321(13) 0.2643(7) 0.081(5) Uiso 0.437(8) 1 d D . . A 1
F4C F 0.7494(8) 0.684(2) 0.3202(9) 0.145(10) Uiso 0.437(8) 1 d D . . A 1
C2' C 0.6347(2) 0.5756(7) 0.2495(4) 0.031(3) Uiso 0.563(8) 1 d D . . A 2
F2Y F 0.6730(4) 0.5426(10) 0.3167(5) 0.074(4) Uiso 0.563(8) 1 d D . . A 2
F2Z F 0.6182(3) 0.7117(7) 0.2521(5) 0.034(2) Uiso 0.563(8) 1 d D . . A 2
C3' C 0.6690(4) 0.5739(14) 0.2094(5) 0.078(7) Uiso 0.563(8) 1 d D . . A 2
F3Y F 0.6789(7) 0.4321(14) 0.2061(10) 0.107(6) Uiso 0.563(8) 1 d D . . A 2
F3Z F 0.6333(5) 0.6453(13) 0.1454(7) 0.066(3) Uiso 0.563(8) 1 d . . . A 2
C4' C 0.7241(3) 0.6550(9) 0.2468(5) 0.097(9) Uiso 0.563(8) 1 d D . . A 2
F4X F 0.7613(6) 0.5912(13) 0.3077(7) 0.119(6) Uiso 0.563(8) 1 d D . . A 2
F4Y F 0.7175(5) 0.7905(11) 0.2648(7) 0.094(5) Uiso 0.563(8) 1 d D . . A 2
F4Z F 0.7345(7) 0.6679(16) 0.1909(6) 0.125(7) Uiso 0.563(8) 1 d D . . A 2
O11A O 0.4103(3) 0.2031(6) 0.0763(3) 0.0375(15) Uani 1 1 d . . . . .
O11B O 0.5568(2) 0.1111(6) 0.3143(3) 0.0334(14) Uani 1 1 d . . . . .
C11 C 0.5937(2) 0.1328(8) 0.3760(4) 0.031(2) Uani 1 1 d D . . . .
C12 C 0.6534(2) 0.1029(9) 0.3921(4) 0.037(5) Uiso 0.487(7) 1 d D . . B 1
F12A F 0.6548(5) 0.0243(11) 0.3394(6) 0.072(4) Uiso 0.487(7) 1 d D . . B 1
F12B F 0.6859(5) 0.2188(9) 0.4018(6) 0.053(3) Uiso 0.487(7) 1 d D . . B 1
C13 C 0.6829(3) 0.0085(10) 0.4595(4) 0.038(5) Uiso 0.487(7) 1 d D . . B 1
F13A F 0.7012(4) 0.0802(10) 0.5220(5) 0.053(3) Uiso 0.487(7) 1 d D . . B 1
F13B F 0.6486(4) -0.0949(11) 0.4600(5) 0.055(4) Uiso 0.487(7) 1 d D . . B 1
C14 C 0.7339(3) -0.0727(9) 0.4667(4) 0.055(6) Uiso 0.487(7) 1 d D . . B 1
F14A F 0.7235(6) -0.1885(10) 0.4236(7) 0.079(5) Uiso 0.487(7) 1 d D . . B 1
F14B F 0.7697(5) 0.0104(10) 0.4561(6) 0.076(4) Uiso 0.487(7) 1 d D . . B 1
F14C F 0.7629(5) -0.1327(13) 0.5320(5) 0.080(4) Uiso 0.487(7) 1 d D . . B 1
C12' C 0.6427(2) 0.0276(6) 0.4028(4) 0.024(3) Uiso 0.513(7) 1 d D . . B 2
F12Y F 0.6562(5) -0.0261(12) 0.4682(4) 0.060(4) Uiso 0.513(7) 1 d D . . B 2
F12Z F 0.6332(4) -0.0872(9) 0.3594(4) 0.045(3) Uiso 0.513(7) 1 d D . . B 2
C13' C 0.6898(3) 0.1160(6) 0.4025(5) 0.036(4) Uiso 0.513(7) 1 d D . . B 2
F13Y F 0.6955(5) 0.2403(9) 0.4385(5) 0.060(4) Uiso 0.513(7) 1 d D . . B 2
F13Z F 0.6718(5) 0.1532(11) 0.3335(4) 0.068(4) Uiso 0.513(7) 1 d D . . B 2
C14' C 0.7452(2) 0.0365(8) 0.4309(4) 0.070(7) Uiso 0.513(7) 1 d D . . B 2
F14X F 0.7829(4) 0.1284(12) 0.4304(6) 0.085(5) Uiso 0.513(7) 1 d D . . B 2
F14Y F 0.7646(5) -0.0072(13) 0.4993(4) 0.088(4) Uiso 0.513(7) 1 d D . . B 2
F14Z F 0.7406(5) -0.0834(11) 0.3924(5) 0.067(4) Uiso 0.513(7) 1 d D . . B 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'
O O 0.0106 0.0060 '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
N1 Ag1 Ag2 172.14(15) . .
O1B Ag1 Ag2 72.05(15) . .
O1B Ag1 N1 110.8(2) . .
O1B Ag1 O11A 139.5(2) . .
O11A Ag1 Ag2 74.57(15) . .
O11A Ag1 N1 105.4(2) . .
N2 Ag3 N2 156.1(3) 5_655 6_556
N2 Ag3 O11B 113.4(2) 6_556 2_655
N2 Ag3 O11B 86.2(2) 5_655 2_655
N2 Ag3 O11B 86.2(2) 6_556 .
N2 Ag3 O11B 113.4(2) 5_655 .
O11B Ag3 O11B 73.3(3) . 2_655
Ag1 Ag2 Ag1 170.95(4) . 2_655
O1A Ag2 Ag1 77.80(15) 2_655 2_655
O1A Ag2 Ag1 106.63(15) 2_655 .
O1A Ag2 Ag1 77.80(15) . .
O1A Ag2 Ag1 106.63(15) . 2_655
O1A Ag2 O1A 123.4(4) 2_655 .
O1A Ag2 O11B 88.5(3) 2_655 2_655
O1A Ag2 O11B 88.5(3) . .
O1A Ag2 O11B 139.9(2) 2_655 .
O1A Ag2 O11B 139.9(2) . 2_655
O11B Ag2 Ag1 103.26(14) . .
O11B Ag2 Ag1 69.36(14) 2_655 .
O11B Ag2 Ag1 69.36(14) . 2_655
O11B Ag2 Ag1 103.26(14) 2_655 2_655
O11B Ag2 O11B 77.6(3) . 2_655
C100 N1 Ag1 121.2(5) . .
C100 N1 C111 118.5(7) . .
C111 N1 Ag1 120.1(5) . .
C105 N2 Ag3 120.9(5) . 5_655
C106 N2 Ag3 121.3(5) . 5_655
C106 N2 C105 117.7(6) . .
N1 C100 C101 121.2(7) . .
N1 C100 C105 120.6(7) . .
C101 C100 C105 118.2(7) . .
C100 C101 H101 119.1 . .
C102 C101 C100 121.8(7) . .
C102 C101 H101 119.1 . .
C101 C102 H102 119.6 . .
C101 C102 C103 120.8(8) . .
C103 C102 H102 119.6 . .
C102 C103 H103 120.0 . .
C104 C103 C102 119.9(8) . .
C104 C103 H103 120.0 . .
C103 C104 H104 119.5 . .
C103 C104 C105 120.9(7) . .
C105 C104 H104 119.5 . .
N2 C105 C100 120.8(7) . .
N2 C105 C104 120.9(7) . .
C104 C105 C100 118.2(7) . .
N2 C106 C107 119.5(7) . .
N2 C106 C111 121.6(7) . .
C107 C106 C111 118.9(7) . .
C106 C107 H107 119.5 . .
C108 C107 C106 121.0(8) . .
C108 C107 H107 119.5 . .
C107 C108 H108 120.1 . .
C107 C108 C109 119.8(7) . .
C109 C108 H108 120.1 . .
C108 C109 H109 119.4 . .
C110 C109 C108 121.2(8) . .
C110 C109 H109 119.4 . .
C109 C110 H110 119.8 . .
C109 C110 C111 120.4(8) . .
C111 C110 H110 119.8 . .
N1 C111 C106 120.7(7) . .
N1 C111 C110 120.7(7) . .
C110 C111 C106 118.6(7) . .
C1 O1A Ag2 124.7(5) . .
C1 O1B Ag1 131.2(5) . .
O1A C1 O1B 128.1(5) . .
O1A C1 C2 123.0(7) . .
O1A C1 C2' 108.2(7) . .
O1B C1 C2 108.8(7) . .
O1B C1 C2' 123.7(7) . .
F2A C2 C1 109.2(9) . .
F2A C2 F2B 106.33(11) . .
F2A C2 C3 109.1(9) . .
F2B C2 C1 113.2(8) . .
F2B C2 C3 107.7(8) . .
C3 C2 C1 111.1(6) . .
F3A C3 C2 107.2(9) . .
F3A C3 C4 103.5(9) . .
F3B C3 C2 110.8(11) . .
F3B C3 F3A 106.32(11) . .
F3B C3 C4 113.0(11) . .
C4 C3 C2 115.24(11) . .
F4A C4 C3 116.6(13) . .
F4A C4 F4B 106.30(11) . .
F4A C4 F4C 101.9(17) . .
F4B C4 C3 110.3(10) . .
F4C C4 C3 114.6(13) . .
F4C C4 F4B 106.31(11) . .
F2Y C2' C1 116.4(8) . .
F2Y C2' C3' 101.7(7) . .
F2Z C2' C1 107.9(6) . .
F2Z C2' F2Y 106.23(11) . .
F2Z C2' C3' 109.8(8) . .
C3' C2' C1 114.4(5) . .
F3Y C3' C2' 103.3(11) . .
F3Y C3' F3Z 118.2(11) . .
F3Y C3' C4' 109.1(12) . .
F3Z C3' C2' 101.3(9) . .
F3Z C3' C4' 109.7(10) . .
C4' C3' C2' 115.17(11) . .
F4X C4' C3' 113.5(10) . .
F4Y C4' C3' 111.5(9) . .
F4Y C4' F4X 106.26(11) . .
F4Z C4' C3' 99.1(9) . .
F4Z C4' F4X 120.0(11) . .
F4Z C4' F4Y 106.27(11) . .
C11 O11A Ag1 122.7(5) 2_655 .
Ag2 O11B Ag3 104.5(2) . .
C11 O11B Ag3 133.6(5) . .
C11 O11B Ag2 117.5(5) . .
O11A C11 C12 114.1(7) 2_655 .
O11A C11 C12' 115.3(7) 2_655 .
O11B C11 O11A 126.6(5) . 2_655
O11B C11 C12 117.8(7) . .
O11B C11 C12' 115.4(7) . .
F12A C12 C11 111.0(8) . .
F12A C12 F12B 106.23(11) . .
F12A C12 C13 104.7(7) . .
F12B C12 C11 116.9(8) . .
F12B C12 C13 106.8(8) . .
C13 C12 C11 110.4(5) . .
C12 C13 C14 115.23(11) . .
F13A C13 C12 114.9(8) . .
F13A C13 F13B 106.30(11) . .
F13A C13 C14 104.0(8) . .
F13B C13 C12 110.3(8) . .
F13B C13 C14 105.3(8) . .
F14A C14 C13 115.4(8) . .
F14A C14 F14B 106.30(11) . .
F14A C14 F14C 101.6(10) . .
F14B C14 C13 114.2(8) . .
F14B C14 F14C 106.26(11) . .
F14C C14 C13 112.0(8) . .
F12Y C12' C11 112.5(8) . .
F12Y C12' F12Z 106.32(11) . .
F12Y C12' C13' 112.1(7) . .
F12Z C12' C11 113.1(7) . .
F12Z C12' C13' 108.0(7) . .
C13' C12' C11 104.8(5) . .
C12' C13' C14' 115.25(11) . .
F13Y C13' C12' 108.9(8) . .
F13Y C13' F13Z 106.35(11) . .
F13Y C13' C14' 110.9(8) . .
F13Z C13' C12' 105.2(8) . .
F13Z C13' C14' 109.7(8) . .
F14X C14' C13' 108.7(7) . .
F14Y C14' C13' 112.5(8) . .
F14Y C14' F14X 106.29(11) . .
F14Z C14' C13' 111.4(7) . .
F14Z C14' F14X 111.4(9) . .
F14Z C14' F14Y 106.31(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 Ag2 3.3203(7) .
Ag1 N1 2.425(6) .
Ag1 O1B 2.267(6) .
Ag1 O11A 2.269(6) .
Ag3 N2 2.243(6) 5_655
Ag3 N2 2.243(6) 6_556
Ag3 O11B 2.537(6) .
Ag3 O11B 2.538(6) 2_655
Ag2 Ag1 3.3203(7) 2_655
Ag2 O1A 2.233(6) .
Ag2 O1A 2.233(6) 2_655
Ag2 O11B 2.418(6) 2_655
Ag2 O11B 2.418(6) .
N1 C100 1.344(10) .
N1 C111 1.345(10) .
N2 Ag3 2.243(6) 5_655
N2 C105 1.361(9) .
N2 C106 1.334(10) .
C100 C101 1.417(11) .
C100 C105 1.443(10) .
C101 H101 0.9500 .
C101 C102 1.339(11) .
C102 H102 0.9500 .
C102 C103 1.420(11) .
C103 H103 0.9500 .
C103 C104 1.368(11) .
C104 H104 0.9500 .
C104 C105 1.423(11) .
C106 C107 1.433(11) .
C106 C111 1.437(11) .
C107 H107 0.9500 .
C107 C108 1.339(12) .
C108 H108 0.9500 .
C108 C109 1.448(11) .
C109 H109 0.9500 .
C109 C110 1.348(11) .
C110 H110 0.9500 .
C110 C111 1.427(11) .
O1A C1 1.234(10) .
O1B C1 1.240(9) .
C1 C2 1.5398(10) .
C1 C2' 1.5404(10) .
C2 F2A 1.3498(10) .
C2 F2B 1.3495(10) .
C2 C3 1.5395(10) .
C3 F3A 1.3498(10) .
C3 F3B 1.3495(10) .
C3 C4 1.5395(10) .
C4 F4A 1.3496(10) .
C4 F4B 1.3497(10) .
C4 F4C 1.3497(10) .
C2' F2Y 1.3505(10) .
C2' F2Z 1.3503(10) .
C2' C3' 1.5400(10) .
C3' F3Y 1.3502(10) .
C3' F3Z 1.410(18) .
C3' C4' 1.5400(10) .
C4' F4X 1.3500(10) .
C4' F4Y 1.3499(10) .
C4' F4Z 1.3499(10) .
O11A C11 1.252(9) 2_655
O11B C11 1.239(9) .
C11 O11A 1.252(9) 2_655
C11 C12 1.5407(10) .
C11 C12' 1.5396(10) .
C12 F12A 1.3502(10) .
C12 F12B 1.3503(10) .
C12 C13 1.5398(10) .
C13 F13A 1.3497(10) .
C13 F13B 1.3498(10) .
C13 C14 1.5396(10) .
C14 F14A 1.3498(10) .
C14 F14B 1.3497(10) .
C14 F14C 1.3501(10) .
C12' F12Y 1.3496(10) .
C12' F12Z 1.3498(10) .
C12' C13' 1.5394(10) .
C13' F13Y 1.3495(10) .
C13' F13Z 1.3495(10) .
C13' C14' 1.5394(10) .
C14' F14X 1.3498(10) .
C14' F14Y 1.3496(10) .
C14' F14Z 1.3496(10) .
