# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_CP2
_database_code_depnum_ccdc_archive 'CCDC 1546973'
_audit_update_record             
;
2017-04-29 deposited with the CCDC.
2017-06-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/8
_shelx_SHELXL_version_number     2014/8
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H19 Ag F6 N3 O2 Sb'
_chemical_formula_weight         652.98

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'
O O 0.0106 0.0060 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           8
_space_group_name_H-M_alt        'C m'
_space_group_name_Hall           'C -2y'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z'

_cell_length_a                   20.790(9)
_cell_length_b                   17.444(7)
_cell_length_c                   7.132(3)
_cell_angle_alpha                90
_cell_angle_beta                 108.868(14)
_cell_angle_gamma                90
_cell_volume                     2447.6(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4061
_cell_measurement_theta_min      3.086
_cell_measurement_theta_max      25.499

_exptl_crystal_description       cubic
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_F_000             1264
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    1.966
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.709
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-2 CCD'
_diffrn_measurement_method       hemispehere
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13783
_diffrn_reflns_av_unetI/netI     0.1105
_diffrn_reflns_av_R_equivalents  0.0998
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_theta_min         3.086
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measured_fraction_theta_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_point_group_measured_fraction_full 0.967
_reflns_number_total             4061
_reflns_number_gt                2401
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.997
_reflns_Friedel_fraction_max     0.968
_reflns_Friedel_fraction_full    0.967

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/8 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.17(12)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         4061
_refine_ls_number_parameters     299
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1442
_refine_ls_R_factor_gt           0.0788
_refine_ls_wR_factor_ref         0.1954
_refine_ls_wR_factor_gt          0.1699
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.010
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001

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 0.08284(13) 0.5000 1.3919(4) 0.0663(8) Uani 1 2 d S T P . .
Ag2 Ag 0.06691(15) 0.0000 0.8188(4) 0.0723(9) Uani 1 2 d S T P . .
O1A O -0.0609(9) 0.5000 0.784(5) 0.076(9) Uani 1 2 d S T P . .
N1A N 0.1278(14) 0.5000 1.097(3) 0.051(6) Uani 1 2 d S T P . .
C1A C 0.0028(15) 0.5000 0.833(8) 0.099(16) Uani 1 2 d S T P . .
C2A C 0.0410(12) 0.4292(11) 0.885(3) 0.044(5) Uani 1 1 d . . . . .
C3A C 0.1085(12) 0.4297(10) 0.972(3) 0.051(6) Uani 1 1 d . . . . .
H3A1 H 0.1311 0.4294 0.8728 0.061 Uiso 1 1 calc R U . . .
H3A2 H 0.1224 0.3844 1.0543 0.061 Uiso 1 1 calc R U . . .
C1AN C 0.2098(19) 0.5000 1.194(6) 0.075(10) Uani 1 2 d S T P . .
N11A N 0.0487(11) 0.1236(9) 0.858(3) 0.058(5) Uani 1 1 d . . . . .
C11A C 0.0998(10) 0.1719(10) 0.879(3) 0.050(5) Uani 1 1 d . . . . .
H11A H 0.1434 0.1525 0.9039 0.060 Uiso 1 1 calc R U . . .
C12A C 0.0892(12) 0.2549(10) 0.866(3) 0.053(5) Uani 1 1 d . . . . .
H12A H 0.1248 0.2885 0.8758 0.064 Uiso 1 1 calc R U . . .
C13A C 0.0237(9) 0.2814(9) 0.839(3) 0.033(4) Uani 1 1 d . . . . .
C14A C -0.0238(18) 0.2288(14) 0.815(5) 0.082(9) Uani 1 1 d . . . . .
H14A H -0.0676 0.2459 0.8002 0.099 Uiso 1 1 calc R U . . .
C15A C -0.0147(13) 0.1526(11) 0.811(4) 0.066(7) Uani 1 1 d . . . . .
H15A H -0.0521 0.1200 0.7762 0.079 Uiso 1 1 calc R U . . .
C16A C 0.0072(10) 0.3630(9) 0.824(4) 0.060(7) Uani 1 1 d . . . . .
H16A H -0.0385 0.3716 0.7545 0.072 Uiso 1 1 calc R U . . .
O1B O 0.2023(18) 0.0000 0.367(6) 0.111(14) Uani 1 2 d S T P . .
N1B N 0.0169(12) 0.0000 0.467(5) 0.073(9) Uani 1 2 d S T P . .
C1B C 0.143(4) 0.0000 0.371(5) 0.10(2) Uani 1 2 d S T P . .
C2B C 0.1070(12) 0.0753(11) 0.372(3) 0.046(5) Uani 1 1 d . . . . .
C3B C 0.0267(10) 0.0692(11) 0.347(4) 0.055(6) Uani 1 1 d . . . . .
H3B1 H 0.0117 0.1155 0.3957 0.066 Uiso 1 1 calc R U . . .
H3B2 H 0.0002 0.0628 0.2088 0.066 Uiso 1 1 calc R U . . .
C1BN C -0.065(2) 0.0000 0.443(11) 0.12(2) Uani 1 2 d S T P . .
N11B N 0.1009(10) 0.3759(10) 0.450(3) 0.053(5) Uani 1 1 d . . . . .
C11B C 0.1617(10) 0.3443(11) 0.520(3) 0.053(6) Uani 1 1 d . . . . .
H11B H 0.1973 0.3779 0.5790 0.064 Uiso 1 1 calc R U . . .
C12B C 0.1797(11) 0.2683(11) 0.516(4) 0.047(5) Uani 1 1 d . . . . .
H12B H 0.2241 0.2515 0.5763 0.056 Uiso 1 1 calc R U . . .
C13B C 0.1265(11) 0.2173(10) 0.417(3) 0.046(5) Uani 1 1 d . . . . .
C14B C 0.0594(11) 0.2506(13) 0.340(4) 0.074(8) Uani 1 1 d . . . . .
H14B H 0.0221 0.2201 0.2764 0.089 Uiso 1 1 calc R U . . .
C15B C 0.0519(11) 0.3239(11) 0.361(3) 0.046(5) Uani 1 1 d . . . . .
H15B H 0.0078 0.3427 0.3098 0.055 Uiso 1 1 calc R U . . .
C16B C 0.1419(11) 0.1395(13) 0.400(3) 0.052(6) Uani 1 1 d . . . . .
H16B H 0.1872 0.1318 0.4103 0.062 Uiso 1 1 calc R U . . .
O1M O -0.063(4) 0.5000 1.307(6) 0.24(4) Uani 1 2 d S T P . .
O2M O 0.191(2) 0.0000 0.882(5) 0.141(15) Uani 1 2 d S T P . .
Sb1 Sb 0.32365(10) 0.26432(10) 0.1674(2) 0.0845(9) Uani 1 1 d . . . . .
F101 F 0.3242(11) 0.285(2) 0.372(3) 0.192(15) Uani 1 1 d . . . . .
F102 F 0.3905(17) 0.202(5) 0.291(16) 0.56(9) Uani 1 1 d . . . . .
F103 F 0.318(3) 0.209(2) -0.026(6) 0.26(2) Uani 1 1 d . . . . .
F104 F 0.375(3) 0.336(2) 0.090(11) 0.35(4) Uani 1 1 d . . . . .
F105 F 0.268(2) 0.1937(15) 0.183(10) 0.31(3) Uani 1 1 d . . . . .
F106 F 0.2558(15) 0.3222(18) 0.040(10) 0.34(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N11B 2.213(18) 2_566 ?
Ag1 N11B 2.213(18) 1_556 ?
Ag1 O1M 2.89(8) . ?
Ag1 N1A 2.56(2) . ?
Ag2 N11A 2.221(17) . ?
Ag2 N11A 2.221(17) 2 ?
Ag2 N1B 2.39(3) . ?
O1A C1A 1.25(3) . ?
N1A C3A 1.49(2) 2_565 ?
N1A C3A 1.49(2) . ?
N1A C1AN 1.62(4) . ?
C1A C2A 1.45(3) 2_565 ?
C1A C2A 1.45(3) . ?
C2A C3A 1.34(3) . ?
C2A C16A 1.35(3) . ?
N11A C11A 1.33(3) . ?
N11A C15A 1.35(3) . ?
C11A C12A 1.46(3) . ?
C12A C13A 1.39(3) . ?
C13A C14A 1.32(4) . ?
C13A C16A 1.46(2) . ?
C14A C15A 1.34(3) . ?
O1B C1B 1.24(7) . ?
N1B C3B 1.53(3) 2 ?
N1B C3B 1.53(3) . ?
N1B C1BN 1.66(5) . ?
C1B C2B 1.52(4) 2 ?
C1B C2B 1.52(4) . ?
C2B C16B 1.31(3) . ?
C2B C3B 1.62(3) . ?
N11B C11B 1.32(3) . ?
N11B C15B 1.36(3) . ?
N11B Ag1 2.213(18) 1_554 ?
C11B C12B 1.38(3) . ?
C12B C13B 1.42(3) . ?
C13B C16B 1.41(3) . ?
C13B C14B 1.45(3) . ?
C14B C15B 1.30(3) . ?
Sb1 F101 1.50(2) . ?
Sb1 F104 1.85(4) . ?
Sb1 F102 1.76(4) . ?
Sb1 F103 1.66(4) . ?
Sb1 F106 1.73(3) . ?
Sb1 F105 1.72(3) . ?

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
N11B Ag1 N11B 156.1(10) 2_566 1_556 ?
N11B Ag1 O1M 98.2(5) 2_566 . ?
N11B Ag1 O1M 98.2(5) 1_556 . ?
N11B Ag1 N1A 93.9(5) 2_566 . ?
N11B Ag1 N1A 93.9(5) 1_556 . ?
O1M Ag1 N1A 117.7(12) . . ?
N11A Ag2 N11A 152.0(10) . 2 ?
N11A Ag2 N1B 95.6(5) . . ?
N11A Ag2 N1B 95.6(5) 2 . ?
C3A N1A C3A 111(2) 2_565 . ?
C3A N1A C1AN 107.3(17) 2_565 . ?
C3A N1A C1AN 107.3(17) . . ?
C3A N1A Ag1 112.9(13) 2_565 . ?
C3A N1A Ag1 112.9(13) . . ?
C1AN N1A Ag1 105.2(18) . . ?
O1A C1A C2A 120.9(14) . 2_565 ?
O1A C1A C2A 120.9(14) . . ?
C2A C1A C2A 117(3) 2_565 . ?
C3A C2A C16A 121.0(18) . . ?
C3A C2A C1A 121.2(18) . . ?
C16A C2A C1A 117(2) . . ?
C2A C3A N1A 108.9(19) . . ?
C11A N11A C15A 118.2(18) . . ?
C11A N11A Ag2 118.0(16) . . ?
C15A N11A Ag2 121.8(14) . . ?
N11A C11A C12A 122(2) . . ?
C13A C12A C11A 117.3(19) . . ?
C12A C13A C14A 116(2) . . ?
C12A C13A C16A 122.1(17) . . ?
C14A C13A C16A 121(2) . . ?
C15A C14A C13A 126(3) . . ?
C14A C15A N11A 120(2) . . ?
C2A C16A C13A 137(2) . . ?
C3B N1B C3B 104(3) 2 . ?
C3B N1B C1BN 105(2) 2 . ?
C3B N1B C1BN 105(2) . . ?
C3B N1B Ag2 119.7(14) 2 . ?
C3B N1B Ag2 119.7(14) . . ?
C1BN N1B Ag2 101(3) . . ?
O1B C1B C2B 120(3) . 2 ?
O1B C1B C2B 120(3) . . ?
C2B C1B C2B 120(5) 2 . ?
C16B C2B C1B 119(3) . . ?
C16B C2B C3B 124.8(17) . . ?
C1B C2B C3B 116(3) . . ?
N1B C3B C2B 108.0(16) . . ?
C11B N11B C15B 112.3(18) . . ?
C11B N11B Ag1 124.2(14) . 1_554 ?
C15B N11B Ag1 120.7(14) . 1_554 ?
N11B C11B C12B 128.8(18) . . ?
C11B C12B C13B 116(2) . . ?
C12B C13B C16B 119(2) . . ?
C12B C13B C14B 116.0(18) . . ?
C16B C13B C14B 125(2) . . ?
C15B C14B C13B 119(2) . . ?
C14B C15B N11B 128(2) . . ?
C2B C16B C13B 135(2) . . ?
F101 Sb1 F104 108(3) . . ?
F101 Sb1 F102 84(4) . . ?
F104 Sb1 F102 97(3) . . ?
F101 Sb1 F103 158(3) . . ?
F104 Sb1 F103 92(3) . . ?
F102 Sb1 F103 83(4) . . ?
F101 Sb1 F106 97(3) . . ?
F104 Sb1 F106 84(2) . . ?
F102 Sb1 F106 177(4) . . ?
F103 Sb1 F106 95(2) . . ?
F101 Sb1 F105 84(3) . . ?
F104 Sb1 F105 167(3) . . ?
F102 Sb1 F105 88(2) . . ?
F103 Sb1 F105 77(3) . . ?
F106 Sb1 F105 90(2) . . ?

_refine_diff_density_max         2.421
_refine_diff_density_min         -0.808
_refine_diff_density_rms         0.154



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Cp1
_database_code_depnum_ccdc_archive 'CCDC 1546972'
_audit_update_record             
;
2017-04-29 deposited with the CCDC.
2017-06-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/8
_shelx_SHELXL_version_number     2014/8
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H34 Ag2 N8 O8'
_chemical_formula_weight         922.45

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'
O O 0.0106 0.0060 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.195(10)
_cell_length_b                   14.045(8)
_cell_length_c                   16.461(10)
_cell_angle_alpha                90
_cell_angle_beta                 117.639(16)
_cell_angle_gamma                90
_cell_volume                     3522(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    39271
_cell_measurement_theta_min      1.972
_cell_measurement_theta_max      25.998

_exptl_crystal_description       cubes
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.740
_exptl_crystal_F_000             1856
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    1.178
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.868
_exptl_absorpt_correction_T_max  0.889
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-2 CCD'
_diffrn_measurement_method       hemispehere
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            39271
_diffrn_reflns_av_unetI/netI     0.0861
_diffrn_reflns_av_R_equivalents  0.0968
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.972
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measured_fraction_theta_full 0.963
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_Laue_measured_fraction_full 0.963
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_point_group_measured_fraction_full 0.963
_reflns_number_total             6612
_reflns_number_gt                3620
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/8 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6612
_refine_ls_number_parameters     487
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1420
_refine_ls_R_factor_gt           0.0791
_refine_ls_wR_factor_ref         0.2054
_refine_ls_wR_factor_gt          0.1825
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.21411(4) 0.59240(5) 0.02302(4) 0.0663(3) Uani 1 1 d . . . . .
Ag2 Ag 0.21319(4) 0.82599(6) 0.03223(4) 0.0712(3) Uani 1 1 d . . . . .
O1A O -0.2145(4) 0.5566(6) -0.5663(4) 0.088(2) Uani 1 1 d . . . . .
O1B O -0.3546(4) 0.9211(5) -0.3891(4) 0.0740(17) Uani 1 1 d . . . . .
N1A N -0.3256(4) 0.6618(5) -0.4177(4) 0.0543(16) Uani 1 1 d . . . . .
C1A C -0.2502(5) 0.5744(6) -0.5198(6) 0.057(2) Uani 1 1 d . . . . .
C2A C -0.1995(5) 0.5862(5) -0.4171(5) 0.0478(18) Uani 1 1 d . . . . .
C3A C -0.2472(5) 0.6068(6) -0.3622(5) 0.055(2) Uani 1 1 d . . . . .
H3A1 H -0.2631 0.5476 -0.3434 0.067 Uiso 1 1 calc R U . . .
H3A2 H -0.2093 0.6424 -0.3074 0.067 Uiso 1 1 calc R U . . .
C4A C -0.3876(4) 0.6103(6) -0.4988(5) 0.053(2) Uani 1 1 d . . . . .
H4A1 H -0.4401 0.6484 -0.5317 0.064 Uiso 1 1 calc R U . . .
H4A2 H -0.4044 0.5514 -0.4804 0.064 Uiso 1 1 calc R U . . .
C5A C -0.3472(5) 0.5882(5) -0.5613(5) 0.0501(19) Uani 1 1 d . . . . .
C6A C -0.3681(6) 0.6861(6) -0.3607(6) 0.068(2) Uani 1 1 d . . . . .
H6A1 H -0.4202 0.7226 -0.3964 0.103 Uiso 1 1 calc R U . . .
H6A2 H -0.3834 0.6288 -0.3398 0.103 Uiso 1 1 calc R U . . .
H6A3 H -0.3284 0.7230 -0.3089 0.103 Uiso 1 1 calc R U . . .
N11A N 0.1018(4) 0.5921(5) -0.1112(5) 0.0579(17) Uani 1 1 d . . . . .
C11A C 0.0214(5) 0.5671(6) -0.1267(5) 0.061(2) Uani 1 1 d . . . . .
H11A H 0.0131 0.5529 -0.0760 0.073 Uiso 1 1 calc R U . . .
C12A C -0.0496(5) 0.5609(6) -0.2107(5) 0.053(2) Uani 1 1 d . . . . .
H12A H -0.1037 0.5427 -0.2158 0.063 Uiso 1 1 calc R U . . .
C13A C -0.0417(4) 0.5815(5) -0.2895(5) 0.0471(18) Uani 1 1 d . . . . .
C14A C 0.0432(5) 0.6087(6) -0.2730(6) 0.058(2) Uani 1 1 d . . . . .
H14A H 0.0530 0.6246 -0.3224 0.069 Uiso 1 1 calc R U . . .
C15A C 0.1115(5) 0.6124(6) -0.1865(6) 0.063(2) Uani 1 1 d . . . . .
H15A H 0.1667 0.6295 -0.1788 0.076 Uiso 1 1 calc R U . . .
C16A C -0.1119(5) 0.5777(6) -0.3837(5) 0.058(2) Uani 1 1 d . . . . .
H16A H -0.0932 0.5678 -0.4278 0.070 Uiso 1 1 calc R U . . .
N21A N -0.6566(4) 0.6043(4) -0.8623(4) 0.0509(16) Uani 1 1 d . . . . .
C21A C -0.6391(5) 0.5972(6) -0.7727(5) 0.059(2) Uani 1 1 d . . . . .
H21A H -0.6860 0.5980 -0.7592 0.071 Uiso 1 1 calc R U . . .
C22A C -0.5557(5) 0.5888(6) -0.7014(5) 0.056(2) Uani 1 1 d . . . . .
H22A H -0.5465 0.5829 -0.6413 0.067 Uiso 1 1 calc R U . . .
C23A C -0.4842(5) 0.5893(5) -0.7215(5) 0.0496(19) Uani 1 1 d . . . . .
C24A C -0.5018(5) 0.5982(5) -0.8120(5) 0.0496(18) Uani 1 1 d . . . . .
H24A H -0.4562 0.5987 -0.8275 0.059 Uiso 1 1 calc R U . . .
C25A C -0.5870(5) 0.6063(5) -0.8787(5) 0.0509(19) Uani 1 1 d . . . . .
H25A H -0.5974 0.6137 -0.9391 0.061 Uiso 1 1 calc R U . . .
C26A C -0.3906(5) 0.5801(5) -0.6535(5) 0.0504(19) Uani 1 1 d . . . . .
H26A H -0.3543 0.5658 -0.6795 0.061 Uiso 1 1 calc R U . . .
N1B N -0.2278(4) 0.8980(5) -0.5358(4) 0.0526(16) Uani 1 1 d . . . . .
C1B C -0.3171(5) 0.8919(5) -0.4318(5) 0.053(2) Uani 1 1 d . . . . .
C2B C -0.2208(4) 0.8734(5) -0.3849(5) 0.0478(18) Uani 1 1 d . . . . .
C3B C -0.1794(5) 0.8541(6) -0.4462(5) 0.056(2) Uani 1 1 d . . . . .
H3B1 H -0.1197 0.8782 -0.4172 0.068 Uiso 1 1 calc R U . . .
H3B2 H -0.1768 0.7859 -0.4537 0.068 Uiso 1 1 calc R U . . .
C4B C -0.3170(5) 0.8626(6) -0.5843(5) 0.055(2) Uani 1 1 d . . . . .
H4B1 H -0.3153 0.7954 -0.5969 0.066 Uiso 1 1 calc R U . . .
H4B2 H -0.3469 0.8953 -0.6427 0.066 Uiso 1 1 calc R U . . .
C5B C -0.3690(5) 0.8753(5) -0.5331(5) 0.0497(19) Uani 1 1 d . . . . .
C6B C -0.1815(5) 0.8802(7) -0.5906(5) 0.065(2) Uani 1 1 d . . . . .
H6B1 H -0.1225 0.9038 -0.5582 0.098 Uiso 1 1 calc R U . . .
H6B2 H -0.1804 0.8130 -0.6007 0.098 Uiso 1 1 calc R U . . .
H6B3 H -0.2116 0.9122 -0.6485 0.098 Uiso 1 1 calc R U . . .
N11B N 0.0839(5) 0.8408(5) -0.0809(5) 0.0610(18) Uani 1 1 d . . . . .
C11B C 0.0152(6) 0.8609(7) -0.0650(5) 0.076(3) Uani 1 1 d . . . . .
H11B H 0.0257 0.8684 -0.0046 0.091 Uiso 1 1 calc R U . . .
C12B C -0.0692(5) 0.8708(7) -0.1335(5) 0.067(2) Uani 1 1 d . . . . .
H12B H -0.1139 0.8842 -0.1184 0.080 Uiso 1 1 calc R U . . .
C13B C -0.0891(5) 0.8611(5) -0.2249(5) 0.0502(19) Uani 1 1 d . . . . .
C14B C -0.0190(5) 0.8376(6) -0.2415(5) 0.053(2) Uani 1 1 d . . . . .
H14B H -0.0289 0.8259 -0.3011 0.064 Uiso 1 1 calc R U . . .
C15B C 0.0642(5) 0.8315(5) -0.1706(5) 0.053(2) Uani 1 1 d . . . . .
H15B H 0.1100 0.8202 -0.1845 0.064 Uiso 1 1 calc R U . . .
C16B C -0.1796(5) 0.8743(5) -0.2938(5) 0.0522(19) Uani 1 1 d . . . . .
H16B H -0.2171 0.8860 -0.2685 0.063 Uiso 1 1 calc R U . . .
N21B N -0.6707(4) 0.8422(5) -0.8384(5) 0.0574(17) Uani 1 1 d . . . . .
C21B C -0.6820(5) 0.8615(7) -0.7631(6) 0.072(3) Uani 1 1 d . . . . .
H21B H -0.7385 0.8692 -0.7701 0.086 Uiso 1 1 calc R U . . .
C22B C -0.6117(5) 0.8698(6) -0.6776(5) 0.058(2) Uani 1 1 d . . . . .
H22B H -0.6225 0.8829 -0.6283 0.069 Uiso 1 1 calc R U . . .
C23B C -0.5260(4) 0.8597(5) -0.6609(5) 0.0477(18) Uani 1 1 d . . . . .
C24B C -0.5154(5) 0.8389(5) -0.7398(5) 0.055(2) Uani 1 1 d . . . . .
H24B H -0.4596 0.8284 -0.7339 0.066 Uiso 1 1 calc R U . . .
C25B C -0.5875(4) 0.8342(6) -0.8247(5) 0.053(2) Uani 1 1 d . . . . .
H25B H -0.5784 0.8251 -0.8756 0.064 Uiso 1 1 calc R U . . .
C26B C -0.4555(5) 0.8736(5) -0.5677(5) 0.0495(18) Uani 1 1 d . . . . .
H26B H -0.4752 0.8831 -0.5244 0.059 Uiso 1 1 calc R U . . .
N100 N 0.0940(5) 0.6749(7) 0.1111(5) 0.070(2) Uani 1 1 d . . . . .
O101 O 0.1213(6) 0.5936(6) 0.1102(6) 0.126(3) Uani 1 1 d . . . . .
O102 O 0.0161(5) 0.6908(7) 0.0797(6) 0.123(3) Uani 1 1 d . . . . .
O103 O 0.1443(5) 0.7423(6) 0.1399(6) 0.113(3) Uani 1 1 d . . . . .
N200 N 0.3337(6) 0.6941(7) 0.4375(6) 0.077(2) Uani 1 1 d . . . . .
O201 O 0.4115(5) 0.7001(7) 0.4635(5) 0.133(4) Uani 1 1 d . . . . .
O202 O 0.2922(5) 0.7630(6) 0.4398(5) 0.088(2) Uani 1 1 d . . . . .
O203 O 0.2981(7) 0.6194(8) 0.4155(10) 0.188(6) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N21A 2.155(6) 1_656 ?
Ag1 N11A 2.157(7) . ?
Ag1 O101 2.595(8) . ?
Ag1 Ag2 3.285(2) . ?
Ag2 N11B 2.148(7) . ?
Ag2 N21B 2.152(6) 1_656 ?
O1A C1A 1.210(10) . ?
O1B C1B 1.224(9) . ?
N1A C3A 1.451(9) . ?
N1A C4A 1.456(9) . ?
N1A C6A 1.471(10) . ?
C1A C5A 1.493(10) . ?
C1A C2A 1.509(10) . ?
C2A C16A 1.348(10) . ?
C2A C3A 1.504(11) . ?
C4A C5A 1.517(10) . ?
C5A C26A 1.349(10) . ?
N11A C11A 1.332(10) . ?
N11A C15A 1.355(10) . ?
C11A C12A 1.358(9) . ?
C12A C13A 1.396(11) . ?
C13A C14A 1.408(10) . ?
C13A C16A 1.459(9) . ?
C14A C15A 1.363(10) . ?
N21A C25A 1.344(9) . ?
N21A C21A 1.365(9) . ?
N21A Ag1 2.155(6) 1_454 ?
C21A C22A 1.373(10) . ?
C22A C23A 1.414(11) . ?
C23A C24A 1.381(10) . ?
C23A C26A 1.479(9) . ?
C24A C25A 1.369(9) . ?
N1B C4B 1.450(8) . ?
N1B C6B 1.475(10) . ?
N1B C3B 1.452(9) . ?
C1B C5B 1.501(10) . ?
C1B C2B 1.489(10) . ?
C2B C16B 1.328(9) . ?
C2B C3B 1.505(10) . ?
C4B C5B 1.496(11) . ?
C5B C26B 1.324(9) . ?
N11B C15B 1.360(10) . ?
N11B C11B 1.352(11) . ?
C11B C12B 1.371(10) . ?
C12B C13B 1.386(10) . ?
C13B C14B 1.393(11) . ?
C13B C16B 1.451(9) . ?
C14B C15B 1.366(10) . ?
N21B C25B 1.345(9) . ?
N21B C21B 1.368(11) . ?
N21B Ag2 2.152(6) 1_454 ?
C21B C22B 1.370(10) . ?
C22B C23B 1.376(10) . ?
C23B C24B 1.424(11) . ?
C23B C26B 1.461(9) . ?
C24B C25B 1.374(9) . ?
N100 O103 1.219(9) . ?
N100 O102 1.211(9) . ?
N100 O101 1.238(10) . ?
N200 O203 1.184(11) . ?
N200 O202 1.213(10) . ?
N200 O201 1.205(10) . ?

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
N21A Ag1 N11A 165.4(2) 1_656 . ?
N21A Ag1 O101 99.4(3) 1_656 . ?
N11A Ag1 O101 94.5(3) . . ?
N21A Ag1 Ag2 84.67(15) 1_656 . ?
N11A Ag1 Ag2 91.62(17) . . ?
O101 Ag1 Ag2 87.2(2) . . ?
N11B Ag2 N21B 163.7(3) . 1_656 ?
N11B Ag2 Ag1 94.72(18) . . ?
N21B Ag2 Ag1 97.41(17) 1_656 . ?
C3A N1A C4A 112.6(6) . . ?
C3A N1A C6A 108.3(6) . . ?
C4A N1A C6A 109.4(6) . . ?
O1A C1A C5A 121.6(7) . . ?
O1A C1A C2A 122.2(7) . . ?
C5A C1A C2A 116.2(8) . . ?
C16A C2A C3A 126.2(7) . . ?
C16A C2A C1A 113.7(7) . . ?
C3A C2A C1A 120.1(7) . . ?
N1A C3A C2A 109.3(6) . . ?
N1A C4A C5A 110.7(6) . . ?
C26A C5A C4A 126.3(7) . . ?
C26A C5A C1A 115.0(8) . . ?
C4A C5A C1A 118.8(7) . . ?
C11A N11A C15A 116.0(7) . . ?
C11A N11A Ag1 123.6(5) . . ?
C15A N11A Ag1 120.3(5) . . ?
N11A C11A C12A 125.0(8) . . ?
C13A C12A C11A 120.3(7) . . ?
C12A C13A C14A 114.6(6) . . ?
C12A C13A C16A 126.2(7) . . ?
C14A C13A C16A 119.2(7) . . ?
C15A C14A C13A 121.6(8) . . ?
C14A C15A N11A 122.4(8) . . ?
C2A C16A C13A 130.3(8) . . ?
C25A N21A C21A 116.7(7) . . ?
C25A N21A Ag1 118.5(5) . 1_454 ?
C21A N21A Ag1 124.2(5) . 1_454 ?
C22A C21A N21A 123.3(7) . . ?
C21A C22A C23A 118.5(7) . . ?
C24A C23A C22A 118.2(7) . . ?
C24A C23A C26A 116.3(7) . . ?
C22A C23A C26A 125.5(7) . . ?
C23A C24A C25A 119.4(7) . . ?
N21A C25A C24A 123.9(7) . . ?
C5A C26A C23A 133.2(8) . . ?
C4B N1B C6B 109.8(6) . . ?
C4B N1B C3B 112.0(6) . . ?
C6B N1B C3B 109.4(6) . . ?
O1B C1B C5B 119.3(7) . . ?
O1B C1B C2B 121.0(7) . . ?
C5B C1B C2B 119.6(7) . . ?
C16B C2B C1B 117.8(7) . . ?
C16B C2B C3B 126.0(6) . . ?
C1B C2B C3B 116.2(6) . . ?
N1B C3B C2B 112.2(6) . . ?
N1B C4B C5B 113.9(6) . . ?
C26B C5B C1B 116.8(7) . . ?
C26B C5B C4B 127.0(7) . . ?
C1B C5B C4B 116.2(6) . . ?
C15B N11B C11B 115.5(7) . . ?
C15B N11B Ag2 124.6(5) . . ?
C11B N11B Ag2 119.9(5) . . ?
N11B C11B C12B 123.3(8) . . ?
C13B C12B C11B 121.1(8) . . ?
C12B C13B C14B 115.8(7) . . ?
C12B C13B C16B 118.1(7) . . ?
C14B C13B C16B 126.1(7) . . ?
C13B C14B C15B 120.4(7) . . ?
N11B C15B C14B 123.8(8) . . ?
C2B C16B C13B 134.3(8) . . ?
C25B N21B C21B 116.9(7) . . ?
C25B N21B Ag2 125.7(6) . 1_454 ?
C21B N21B Ag2 117.5(5) . 1_454 ?
C22B C21B N21B 121.3(7) . . ?
C21B C22B C23B 123.3(8) . . ?
C22B C23B C24B 114.7(6) . . ?
C22B C23B C26B 119.0(7) . . ?
C24B C23B C26B 126.3(7) . . ?
C25B C24B C23B 120.1(7) . . ?
C24B C25B N21B 123.6(8) . . ?
C5B C26B C23B 132.3(7) . . ?
O103 N100 O102 117.9(10) . . ?
O103 N100 O101 121.1(9) . . ?
O102 N100 O101 121.0(9) . . ?
N100 O101 Ag1 110.3(6) . . ?
O203 N200 O202 119.3(10) . . ?
O203 N200 O201 120.2(11) . . ?
O202 N200 O201 120.3(11) . . ?

_refine_diff_density_max         1.356
_refine_diff_density_min         -1.389
_refine_diff_density_rms         0.133


