# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_compound_C2_Ag_NO3
_database_code_depnum_ccdc_archive 'CCDC 1869695'
loop_
_audit_author_name
_audit_author_address
'Jorge Pasan'
;University of La Laguna
Spain
;
_audit_update_record             
;
2019-10-18 deposited with the CCDC.	2019-10-23 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_compound_C2_Ag_NO3  
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.872 Why?
RESPONSE: The crystal used in the data collection developed a twin during the measurement,  causing bad equivalents to arise in the process, we cannot eliminate all the runs with this issue due to keep completeness as high as possible. but even though the  completeness of the final data collection is below the standards, and there is a  number of reflections missing in the whole theta range, the model proposed fits well  the reflections collected, being the R-value 0.0459. Sadly, this is the best data collection we can get from the crystals obtained for this compound.
;
_vrf_PLAT911_compound_C2_Ag_NO3  
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.595        227 Report
RESPONSE: The crystal used in the data collection developed a twin during the measurement,  causing bad equivalents to arise in the process, we cannot eliminate all the runs with this issue due to keep completeness as high as possible. but even though the  completeness of the final data collection is below the standards, and there is a  number of reflections missing in the whole theta range, the model proposed fits well  the reflections collected, being the R-value 0.0459. Sadly, this is the best data collection we can get from the crystals obtained for this compound.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C22 H18 N4 O2 Ag), 2(N O3)'
_chemical_formula_sum            'C44 H36 Ag2 N10 O10'
_chemical_formula_weight         1080.57

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+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'

_cell_length_a                   20.536(6)
_cell_length_b                   12.539(2)
_cell_length_c                   7.7893(14)
_cell_angle_alpha                90
_cell_angle_beta                 91.11(2)
_cell_angle_gamma                90
_cell_volume                     2005.3(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    150.00(10)
_cell_measurement_reflns_used    1535
_cell_measurement_theta_min      4.1330
_cell_measurement_theta_max      73.2690

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.790
_exptl_crystal_F_000             1088
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.9896
_exptl_crystal_size_mid          0.0487
_exptl_crystal_size_min          0.0443
_exptl_absorpt_coefficient_mu    8.492
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.180
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150.00(10)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.5953
_diffrn_reflns_number            3391
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_theta_min         4.131
_diffrn_reflns_theta_max         66.586
_diffrn_reflns_theta_full        66.586
_diffrn_measured_fraction_theta_max 0.872
_diffrn_measured_fraction_theta_full 0.872
_diffrn_reflns_Laue_measured_fraction_max 0.872
_diffrn_reflns_Laue_measured_fraction_full 0.872
_diffrn_reflns_point_group_measured_fraction_max 0.872
_diffrn_reflns_point_group_measured_fraction_full 0.872
_reflns_number_total             1551
_reflns_number_gt                1471
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0752P)²+7.7344P] 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         1551
_refine_ls_number_parameters     155
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0459
_refine_ls_wR_factor_ref         0.1235
_refine_ls_wR_factor_gt          0.1205
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.001
_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
C1 C 0.6130(3) 0.7365(4) 0.2272(7) 0.0398(12) Uani 1 1 d . . . . .
C2 C 0.6419(2) 0.6356(4) 0.3021(6) 0.0315(10) Uani 1 1 d . . . . .
C3 C 0.7102(3) 0.6281(4) 0.3289(6) 0.0326(10) Uani 1 1 d . . . . .
C4 C 0.7541(3) 0.7119(4) 0.2986(7) 0.0405(12) Uani 1 1 d . . . . .
H4 H 0.738122 0.777929 0.263453 0.049 Uiso 1 1 calc R U . . .
C5 C 0.8193(3) 0.6980(5) 0.3199(7) 0.0460(13) Uani 1 1 d . . . . .
H5 H 0.847594 0.754007 0.297165 0.055 Uiso 1 1 calc R U . . .
C6 C 0.8441(3) 0.6003(5) 0.3755(7) 0.0456(13) Uani 1 1 d . . . . .
H6 H 0.888873 0.591281 0.387643 0.055 Uiso 1 1 calc R U . . .
C7 C 0.8034(3) 0.5177(4) 0.4124(7) 0.0382(11) Uani 1 1 d . . . . .
H7 H 0.820632 0.453740 0.453296 0.046 Uiso 1 1 calc R U . . .
C8 C 0.7356(3) 0.5288(4) 0.3890(6) 0.0307(10) Uani 1 1 d . . . . .
C9 C 0.6910(3) 0.4462(3) 0.4179(6) 0.0319(11) Uani 1 1 d . . . . .
H9 H 0.706028 0.380760 0.458362 0.038 Uiso 1 1 calc R U . . .
C10 C 0.6264(3) 0.4604(4) 0.3877(7) 0.0356(12) Uani 1 1 d . . . . .
H10 H 0.598136 0.404031 0.408233 0.043 Uiso 1 1 calc R U . . .
N1 N 0.5651(3) 0.7803(3) 0.3157(8) 0.0533(14) Uani 0.657(10) 1 d D . P A 1
H1 H 0.552210 0.755719 0.412297 0.064 Uiso 0.657(10) 1 calc R U P A 1
C11 C 0.5355(3) 0.8777(5) 0.2295(11) 0.0306(18) Uani 0.657(10) 1 d D . P A 1
H11A H 0.556242 0.942133 0.272813 0.037 Uiso 0.657(10) 1 calc R U P A 1
H11B H 0.541292 0.874403 0.106338 0.037 Uiso 0.657(10) 1 calc R U P A 1
N1B N 0.5651(3) 0.7803(3) 0.3157(8) 0.0533(14) Uani 0.343(10) 1 d . . P A 2
H1B H 0.557398 0.737974 0.399721 0.064 Uiso 0.343(10) 1 calc R U P A 2
C11B C 0.5207(7) 0.8688(10) 0.3302(15) 0.0306(18) Uani 0.343(10) 1 d D . P A 2
H11C H 0.544504 0.935289 0.340899 0.037 Uiso 0.343(10) 1 calc R U P A 2
H11D H 0.493807 0.860230 0.430331 0.037 Uiso 0.343(10) 1 calc R U P A 2
Ag1 Ag 0.500000 0.55177(4) 0.250000 0.0355(2) Uani 1 2 d S T P . .
N2 N 0.6011(2) 0.5549(3) 0.3279(5) 0.0297(9) Uani 1 1 d . . . . .
N3 N 0.500000 0.2795(5) 0.250000 0.0496(19) Uani 1 2 d S T P . .
O1 O 0.6338(3) 0.7723(3) 0.0918(6) 0.0587(12) Uani 1 1 d . . . . .
O2 O 0.500000 0.1807(5) 0.250000 0.0579(16) Uani 1 2 d S T P . .
O3 O 0.5213(2) 0.3309(3) 0.1234(7) 0.0628(13) 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
C1 O1 1.230(7) . ?
C1 N1B 1.330(8) . ?
C1 N1 1.330(8) . ?
C1 C2 1.510(7) . ?
C2 N2 1.330(6) . ?
C2 C3 1.418(7) . ?
C3 C4 1.406(7) . ?
C3 C8 1.426(7) . ?
C4 C5 1.358(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.392(9) . ?
C5 H5 0.9300 . ?
C6 C7 1.365(9) . ?
C6 H6 0.9300 . ?
C7 C8 1.408(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.403(7) . ?
C9 C10 1.355(9) . ?
C9 H9 0.9300 . ?
C10 N2 1.372(6) . ?
C10 H10 0.9300 . ?
N1 C11 1.515(8) . ?
N1 H1 0.8600 . ?
C11 C11 1.500(12) 2_655 ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
N1B C11B 1.442(13) . ?
N1B H1B 0.8600 . ?
C11B C11B 1.497(18) 2_655 ?
C11B H11C 0.9700 . ?
C11B H11D 0.9700 . ?
Ag1 N2 2.152(5) . ?
Ag1 N2 2.152(5) 2_655 ?
N3 O2 1.238(9) . ?
N3 O3 1.263(6) . ?
N3 O3 1.263(6) 2_655 ?

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
O1 C1 N1B 124.4(5) . . ?
O1 C1 N1 124.4(5) . . ?
O1 C1 C2 119.8(5) . . ?
N1B C1 C2 115.8(5) . . ?
N1 C1 C2 115.8(5) . . ?
N2 C2 C3 123.5(4) . . ?
N2 C2 C1 116.9(5) . . ?
C3 C2 C1 119.5(4) . . ?
C4 C3 C2 124.2(5) . . ?
C4 C3 C8 118.4(5) . . ?
C2 C3 C8 117.4(4) . . ?
C5 C4 C3 121.2(5) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C4 C5 C6 120.3(5) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C7 C6 C5 120.8(6) . . ?
C7 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C6 C7 C8 120.4(5) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
C9 C8 C7 123.6(5) . . ?
C9 C8 C3 117.5(5) . . ?
C7 C8 C3 118.9(5) . . ?
C10 C9 C8 121.0(4) . . ?
C10 C9 H9 119.5 . . ?
C8 C9 H9 119.5 . . ?
C9 C10 N2 122.3(5) . . ?
C9 C10 H10 118.8 . . ?
N2 C10 H10 118.8 . . ?
C1 N1 C11 113.4(6) . . ?
C1 N1 H1 123.3 . . ?
C11 N1 H1 123.3 . . ?
C11 C11 N1 106.8(5) 2_655 . ?
C11 C11 H11A 110.4 2_655 . ?
N1 C11 H11A 110.4 . . ?
C11 C11 H11B 110.4 2_655 . ?
N1 C11 H11B 110.4 . . ?
H11A C11 H11B 108.6 . . ?
C1 N1B C11B 146.5(8) . . ?
C1 N1B H1B 106.8 . . ?
C11B N1B H1B 106.8 . . ?
N1B C11B H11C 110.4 . . ?
C11B C11B H11C 110.4 2_655 . ?
N1B C11B H11D 110.4 . . ?
C11B C11B H11D 110.4 2_655 . ?
H11C C11B H11D 108.6 . . ?
N2 Ag1 N2 177.89(19) . 2_655 ?
C2 N2 C10 118.2(5) . . ?
C2 N2 Ag1 125.3(3) . . ?
C10 N2 Ag1 115.9(3) . . ?
O2 N3 O3 120.7(3) . . ?
O2 N3 O3 120.7(3) . 2_655 ?
O3 N3 O3 118.7(7) . 2_655 ?

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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 N2 -122.1(5) . . . . ?
N1B C1 C2 N2 57.3(6) . . . . ?
N1 C1 C2 N2 57.3(6) . . . . ?
O1 C1 C2 C3 53.2(7) . . . . ?
N1B C1 C2 C3 -127.5(5) . . . . ?
N1 C1 C2 C3 -127.5(5) . . . . ?
N2 C2 C3 C4 178.5(5) . . . . ?
C1 C2 C3 C4 3.6(7) . . . . ?
N2 C2 C3 C8 -0.9(7) . . . . ?
C1 C2 C3 C8 -175.9(4) . . . . ?
C2 C3 C4 C5 -177.1(5) . . . . ?
C8 C3 C4 C5 2.3(8) . . . . ?
C3 C4 C5 C6 -1.2(8) . . . . ?
C4 C5 C6 C7 -1.2(9) . . . . ?
C5 C6 C7 C8 2.3(8) . . . . ?
C6 C7 C8 C9 177.5(5) . . . . ?
C6 C7 C8 C3 -1.0(7) . . . . ?
C4 C3 C8 C9 -179.8(4) . . . . ?
C2 C3 C8 C9 -0.4(6) . . . . ?
C4 C3 C8 C7 -1.2(7) . . . . ?
C2 C3 C8 C7 178.3(4) . . . . ?
C7 C8 C9 C10 -177.8(5) . . . . ?
C3 C8 C9 C10 0.8(7) . . . . ?
C8 C9 C10 N2 0.0(8) . . . . ?
O1 C1 N1 C11 2.6(8) . . . . ?
C2 C1 N1 C11 -176.8(5) . . . . ?
C1 N1 C11 C11 145.9(7) . . . 2_655 ?
O1 C1 N1B C11B -4.8(14) . . . . ?
C2 C1 N1B C11B 175.8(10) . . . . ?
C1 N1B C11B C11B 61.1(17) . . . 2_655 ?
C3 C2 N2 C10 1.7(7) . . . . ?
C1 C2 N2 C10 176.8(4) . . . . ?
C3 C2 N2 Ag1 -169.0(3) . . . . ?
C1 C2 N2 Ag1 6.1(6) . . . . ?
C9 C10 N2 C2 -1.3(7) . . . . ?
C9 C10 N2 Ag1 170.3(4) . . . . ?

_refine_diff_density_max         0.685
_refine_diff_density_min         -1.102
_refine_diff_density_rms         0.122

####################################################################### 
# 
# 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_compound2c_NisoC3_Ag_CF3COO
_database_code_depnum_ccdc_archive 'CCDC 1869701'
loop_
_audit_author_name
_audit_author_address
'Jorge Pasan'
;University of La Laguna
Spain
;
_audit_update_record             
;
2019-10-18 deposited with the CCDC.	2019-10-23 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT306_compound2c_NisoC3_Ag_CF3COO 
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O1W Check
RESPONSE: Hydrogen atoms were neither found nor set for this water molecules
;
# Added during the CSD deposition process: Friday 18 October 2019 11:28 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C23 H20 N4 O2 Ag), 2(C2 O2 F3), H2 O'
_chemical_formula_sum            'C50 H42 Ag2 F6 N8 O9'
_chemical_formula_weight         1226.64

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'

_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+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   37.8693(14)
_cell_length_b                   7.4572(4)
_cell_length_c                   17.8043(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5027.9(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2725
_cell_measurement_theta_min      4.6050
_cell_measurement_theta_max      70.8160

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_F_000             2464
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1688
_exptl_crystal_size_mid          0.0723
_exptl_crystal_size_min          0.0295
_exptl_absorpt_coefficient_mu    7.003
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.677
_exptl_absorpt_correction_T_max  0.904
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Atlas
_diffrn_detector_area_resol_mean 10.5953
_diffrn_reflns_number            12025
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -3
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         4.671
_diffrn_reflns_theta_max         70.774
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4705
_reflns_number_gt                3303
_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       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0587P)²+3.3063P] 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         4705
_refine_ls_number_parameters     432
_refine_ls_number_restraints     184
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0447
_refine_ls_wR_factor_ref         0.1286
_refine_ls_wR_factor_gt          0.1117
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.001
_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 0.36421(2) 0.42439(6) 0.42383(2) 0.06479(15) Uani 1 1 d . . . . .
C1 C 0.43313(10) 1.2657(6) 0.3393(2) 0.0493(10) Uani 1 1 d . . . . .
C2 C 0.44233(11) 1.2956(6) 0.4210(2) 0.0473(9) Uani 1 1 d . . . . .
C3 C 0.47703(10) 1.2660(6) 0.4480(2) 0.0471(9) Uani 1 1 d . . . . .
C4 C 0.50564(11) 1.2141(7) 0.4014(3) 0.0597(11) Uani 1 1 d . . . . .
H4 H 0.502128 1.198719 0.350063 0.072 Uiso 1 1 calc R U . . .
C5 C 0.53818(14) 1.1870(8) 0.4315(3) 0.0724(15) Uani 1 1 d . . . . .
H5 H 0.556900 1.154620 0.400538 0.087 Uiso 1 1 calc R U . . .
C6 C 0.54382(13) 1.2073(7) 0.5094(3) 0.0730(14) Uani 1 1 d . . . . .
H6 H 0.566109 1.185668 0.529360 0.088 Uiso 1 1 calc R U . . .
C7 C 0.51738(13) 1.2577(7) 0.5550(3) 0.0653(13) Uani 1 1 d . . . . .
H7 H 0.521578 1.271918 0.606118 0.078 Uiso 1 1 calc R U . . .
C8 C 0.48313(11) 1.2892(6) 0.5258(3) 0.0518(10) Uani 1 1 d . . . . .
C9 C 0.45444(13) 1.3416(7) 0.5711(3) 0.0606(12) Uani 1 1 d . . . . .
H9 H 0.457592 1.355908 0.622509 0.073 Uiso 1 1 calc R U . . .
C10 C 0.42256(12) 1.3710(7) 0.5404(3) 0.0603(12) Uani 1 1 d . . . . .
H10 H 0.404257 1.409530 0.571294 0.072 Uiso 1 1 calc R U . . .
C11 C 0.39368(12) 1.1031(6) 0.2538(2) 0.0531(10) Uani 1 1 d . . . . .
H11A H 0.398345 1.200423 0.219072 0.064 Uiso 1 1 calc R U . . .
H11B H 0.368317 1.085900 0.256120 0.064 Uiso 1 1 calc R U . . .
C12 C 0.41064(11) 0.9342(6) 0.2244(2) 0.0544(10) Uani 1 1 d . . . . .
H12A H 0.435359 0.958981 0.214615 0.065 Uiso 1 1 calc R U . . .
H12B H 0.399680 0.904026 0.176851 0.065 Uiso 1 1 calc R U . . .
C13 C 0.40837(11) 0.7727(7) 0.2754(3) 0.0592(11) Uani 1 1 d . . . . .
H13A H 0.416964 0.668440 0.248445 0.071 Uiso 1 1 calc R U . . .
H13B H 0.423715 0.791558 0.318283 0.071 Uiso 1 1 calc R U . . .
C14 C 0.35028(11) 0.6286(6) 0.2668(3) 0.0540(10) Uani 1 1 d . . . . .
C15 C 0.31520(11) 0.6065(6) 0.3072(3) 0.0539(11) Uani 1 1 d . . . . .
C16 C 0.28274(12) 0.6550(6) 0.2726(3) 0.0600(12) Uani 1 1 d . . . . .
C17 C 0.28111(16) 0.7297(7) 0.1997(4) 0.0778(16) Uani 1 1 d . . . . .
H17 H 0.301610 0.749066 0.172146 0.093 Uiso 1 1 calc R U . . .
C18 C 0.24845(19) 0.7734(8) 0.1703(4) 0.091(2) Uani 1 1 d . . . . .
H18 H 0.246863 0.823489 0.122559 0.110 Uiso 1 1 calc R U . . .
C19 C 0.21772(17) 0.7423(9) 0.2122(5) 0.097(2) Uani 1 1 d . . . . .
H19 H 0.196021 0.772452 0.191220 0.116 Uiso 1 1 calc R U . . .
C20 C 0.21840(14) 0.6703(8) 0.2817(4) 0.0828(18) Uani 1 1 d . . . . .
H20 H 0.197519 0.650802 0.308004 0.099 Uiso 1 1 calc R U . . .
C21 C 0.25121(12) 0.6250(7) 0.3140(3) 0.0670(14) Uani 1 1 d . . . . .
C22 C 0.25380(13) 0.5517(7) 0.3856(4) 0.0720(15) Uani 1 1 d . . . . .
H22 H 0.233532 0.531454 0.413798 0.086 Uiso 1 1 calc R U . . .
C23 C 0.28583(13) 0.5100(8) 0.4140(3) 0.0669(13) Uani 1 1 d . . . . .
H23 H 0.287009 0.460941 0.461965 0.080 Uiso 1 1 calc R U . . .
N1 N 0.40655(9) 1.1530(5) 0.32806(19) 0.0528(9) Uani 1 1 d . . . . .
H1 H 0.396365 1.106889 0.366673 0.063 Uiso 1 1 calc R U . . .
N2 N 0.41599(9) 1.3466(5) 0.4658(2) 0.0521(8) Uani 1 1 d . . . . .
N3 N 0.37282(9) 0.7364(5) 0.3022(2) 0.0565(9) Uani 1 1 d . . . . .
H3 H 0.365996 0.787252 0.343018 0.068 Uiso 1 1 calc R U . . .
N4 N 0.31668(9) 0.5368(5) 0.3753(2) 0.0553(9) Uani 1 1 d . . . . .
O1 O 0.44952(9) 1.3397(6) 0.28902(18) 0.0728(10) Uani 1 1 d . . . . .
O2 O 0.35625(10) 0.5542(6) 0.2081(2) 0.0834(11) Uani 1 1 d . . . . .
O1W O 0.500000 0.6033(7) 0.250000 0.0764(14) Uani 1 2 d S T P . .
C24 C 0.3471(18) 0.975(8) 0.470(3) 0.070(4) Uani 0.269(11) 1 d D U P A 1
C25 C 0.3375(7) 0.861(4) 0.5382(15) 0.090(4) Uani 0.269(11) 1 d D U P A 1
O3 O 0.3319(6) 1.106(3) 0.436(2) 0.102(3) Uani 0.269(11) 1 d D U P A 1
O4 O 0.3719(4) 0.902(2) 0.4349(11) 0.043(4) Uani 0.269(11) 1 d D U P A 1
F1 F 0.3392(7) 0.676(4) 0.5497(13) 0.30(2) Uani 0.269(11) 1 d D U P A 1
F2 F 0.3039(7) 0.891(6) 0.550(2) 0.197(19) Uani 0.269(11) 1 d D U P A 1
F3 F 0.3541(10) 0.920(4) 0.5957(15) 0.176(15) Uani 0.269(11) 1 d D U P A 1
C24B C 0.3522(13) 0.994(5) 0.4734(16) 0.070(4) Uani 0.314(7) 1 d D U P B 2
C25B C 0.3288(5) 1.036(3) 0.5400(10) 0.090(4) Uani 0.314(7) 1 d D U P B 2
O3B O 0.3431(5) 1.072(3) 0.4152(12) 0.102(3) Uani 0.314(7) 1 d D U P B 2
O4B O 0.3682(5) 0.849(3) 0.4713(17) 0.127(8) Uani 0.314(7) 1 d D U P B 2
F1B F 0.2971(5) 0.981(5) 0.5370(17) 0.200(18) Uani 0.314(7) 1 d D U P B 2
F2B F 0.3434(6) 0.983(4) 0.6006(10) 0.144(12) Uani 0.314(7) 1 d D U P B 2
F3B F 0.3281(7) 1.212(3) 0.5440(13) 0.197(11) Uani 0.314(7) 1 d D U P B 2
C24C C 0.3454(12) 1.007(4) 0.4763(18) 0.070(4) Uani 0.418(10) 1 d D U P C 3
C25C C 0.3390(5) 0.898(2) 0.5442(10) 0.090(4) Uani 0.418(10) 1 d D U P C 3
O3C O 0.3322(3) 1.1573(19) 0.4852(10) 0.102(3) Uani 0.418(10) 1 d D U P C 3
O4C O 0.3683(5) 0.976(2) 0.4326(10) 0.106(7) Uani 0.418(10) 1 d D U P C 3
F1C F 0.3338(5) 0.966(2) 0.6072(10) 0.105(6) Uani 0.418(10) 1 d D U P C 3
F2C F 0.3095(6) 0.802(3) 0.5293(10) 0.181(11) Uani 0.418(10) 1 d D U P C 3
F3C F 0.3620(5) 0.7584(19) 0.5504(10) 0.177(9) Uani 0.418(10) 1 d D U P C 3


_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 N4 2.165(4) . ?
Ag1 N2 2.178(3) 1_545 ?
Ag1 O3C 2.574(12) 1_545 ?
C1 O1 1.221(5) . ?
C1 N1 1.326(5) . ?
C1 C2 1.513(6) . ?
C2 N2 1.333(5) . ?
C2 C3 1.417(6) . ?
C3 C8 1.414(6) . ?
C3 C4 1.419(6) . ?
C4 C5 1.359(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.411(8) . ?
C5 H5 0.9300 . ?
C6 C7 1.343(8) . ?
C6 H6 0.9300 . ?
C7 C8 1.417(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.408(7) . ?
C9 C10 1.343(7) . ?
C9 H9 0.9300 . ?
C10 N2 1.363(6) . ?
C10 H10 0.9300 . ?
C11 N1 1.457(5) . ?
C11 C12 1.507(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.510(7) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 N3 1.454(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 O2 1.206(6) . ?
C14 N3 1.331(6) . ?
C14 C15 1.519(6) . ?
C15 N4 1.321(6) . ?
C15 C16 1.422(6) . ?
C16 C17 1.413(8) . ?
C16 C21 1.421(7) . ?
C17 C18 1.383(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.401(10) . ?
C18 H18 0.9300 . ?
C19 C20 1.351(10) . ?
C19 H19 0.9300 . ?
C20 C21 1.410(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.390(8) . ?
C22 C23 1.351(7) . ?
C22 H22 0.9300 . ?
C23 N4 1.371(6) . ?
C23 H23 0.9300 . ?
N1 H1 0.8600 . ?
N3 H3 0.8600 . ?
C24 O4 1.248(19) . ?
C24 O3 1.282(19) . ?
C24 C25 1.532(19) . ?
C25 F3 1.279(19) . ?
C25 F2 1.308(19) . ?
C25 F1 1.400(19) . ?
C24B O4B 1.237(18) . ?
C24B O3B 1.237(19) . ?
C24B C25B 1.513(18) . ?
C25B F1B 1.269(17) . ?
C25B F2B 1.275(17) . ?
C25B F3B 1.312(17) . ?
C24C O4C 1.187(17) . ?
C24C O3C 1.236(18) . ?
C24C C25C 1.477(17) . ?
C25C F1C 1.247(16) . ?
C25C F2C 1.352(17) . ?
C25C F3C 1.361(17) . ?

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
N4 Ag1 N2 171.40(14) . 1_545 ?
N4 Ag1 O3C 94.4(3) . 1_545 ?
N2 Ag1 O3C 94.1(3) 1_545 1_545 ?
O1 C1 N1 124.2(4) . . ?
O1 C1 C2 121.4(4) . . ?
N1 C1 C2 114.4(4) . . ?
N2 C2 C3 122.3(4) . . ?
N2 C2 C1 116.5(4) . . ?
C3 C2 C1 121.2(4) . . ?
C8 C3 C2 117.7(4) . . ?
C8 C3 C4 118.8(4) . . ?
C2 C3 C4 123.5(4) . . ?
C5 C4 C3 120.1(5) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 120.6(5) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C7 C6 C5 120.8(5) . . ?
C7 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C6 C7 C8 120.5(5) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
C9 C8 C3 117.9(4) . . ?
C9 C8 C7 122.9(4) . . ?
C3 C8 C7 119.2(4) . . ?
C10 C9 C8 120.5(4) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 N2 122.5(4) . . ?
C9 C10 H10 118.7 . . ?
N2 C10 H10 118.7 . . ?
N1 C11 C12 112.7(4) . . ?
N1 C11 H11A 109.1 . . ?
C12 C11 H11A 109.1 . . ?
N1 C11 H11B 109.1 . . ?
C12 C11 H11B 109.1 . . ?
H11A C11 H11B 107.8 . . ?
C11 C12 C13 115.7(4) . . ?
C11 C12 H12A 108.4 . . ?
C13 C12 H12A 108.4 . . ?
C11 C12 H12B 108.4 . . ?
C13 C12 H12B 108.4 . . ?
H12A C12 H12B 107.4 . . ?
N3 C13 C12 113.5(4) . . ?
N3 C13 H13A 108.9 . . ?
C12 C13 H13A 108.9 . . ?
N3 C13 H13B 108.9 . . ?
C12 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
O2 C14 N3 124.6(4) . . ?
O2 C14 C15 121.6(4) . . ?
N3 C14 C15 113.8(4) . . ?
N4 C15 C16 122.3(4) . . ?
N4 C15 C14 116.1(4) . . ?
C16 C15 C14 121.6(4) . . ?
C17 C16 C21 120.1(5) . . ?
C17 C16 C15 122.4(5) . . ?
C21 C16 C15 117.5(5) . . ?
C18 C17 C16 118.7(6) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
C17 C18 C19 120.1(6) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C20 C19 C18 122.6(6) . . ?
C20 C19 H19 118.7 . . ?
C18 C19 H19 118.7 . . ?
C19 C20 C21 119.0(6) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
C22 C21 C20 122.0(6) . . ?
C22 C21 C16 118.6(4) . . ?
C20 C21 C16 119.5(6) . . ?
C23 C22 C21 119.8(5) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 N4 122.9(5) . . ?
C22 C23 H23 118.5 . . ?
N4 C23 H23 118.5 . . ?
C1 N1 C11 123.5(4) . . ?
C1 N1 H1 118.2 . . ?
C11 N1 H1 118.2 . . ?
C2 N2 C10 119.0(4) . . ?
C2 N2 Ag1 123.0(3) . 1_565 ?
C10 N2 Ag1 117.6(3) . 1_565 ?
C14 N3 C13 123.5(4) . . ?
C14 N3 H3 118.3 . . ?
C13 N3 H3 118.3 . . ?
C15 N4 C23 118.9(4) . . ?
C15 N4 Ag1 123.6(3) . . ?
C23 N4 Ag1 116.9(3) . . ?
O4 C24 O3 116(2) . . ?
O4 C24 C25 109(2) . . ?
O3 C24 C25 134(3) . . ?
F3 C25 F2 107(2) . . ?
F3 C25 F1 101.6(18) . . ?
F2 C25 F1 100.8(18) . . ?
F3 C25 C24 109(4) . . ?
F2 C25 C24 105(3) . . ?
F1 C25 C24 131(4) . . ?
O4B C24B O3B 121(2) . . ?
O4B C24B C25B 120(2) . . ?
O3B C24B C25B 113(2) . . ?
F1B C25B F2B 110.2(16) . . ?
F1B C25B F3B 107.7(17) . . ?
F2B C25B F3B 105.9(15) . . ?
F1B C25B C24B 117(3) . . ?
F2B C25B C24B 110(2) . . ?
F3B C25B C24B 105(2) . . ?
O4C C24C O3C 124(2) . . ?
O4C C24C C25C 123.1(19) . . ?
O3C C24C C25C 109.2(17) . . ?
F1C C25C F2C 104.9(14) . . ?
F1C C25C F3C 109.9(15) . . ?
F2C C25C F3C 98.2(14) . . ?
F1C C25C C24C 123(2) . . ?
F2C C25C C24C 105(3) . . ?
F3C C25C C24C 112.5(16) . . ?

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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 N2 126.8(5) . . . . ?
N1 C1 C2 N2 -53.8(6) . . . . ?
O1 C1 C2 C3 -54.7(6) . . . . ?
N1 C1 C2 C3 124.6(4) . . . . ?
N2 C2 C3 C8 1.1(6) . . . . ?
C1 C2 C3 C8 -177.2(4) . . . . ?
N2 C2 C3 C4 -179.1(4) . . . . ?
C1 C2 C3 C4 2.6(7) . . . . ?
C8 C3 C4 C5 0.3(7) . . . . ?
C2 C3 C4 C5 -179.5(5) . . . . ?
C3 C4 C5 C6 0.9(8) . . . . ?
C4 C5 C6 C7 -1.4(9) . . . . ?
C5 C6 C7 C8 0.8(9) . . . . ?
C2 C3 C8 C9 -0.5(6) . . . . ?
C4 C3 C8 C9 179.7(4) . . . . ?
C2 C3 C8 C7 178.9(4) . . . . ?
C4 C3 C8 C7 -0.9(7) . . . . ?
C6 C7 C8 C9 179.8(5) . . . . ?
C6 C7 C8 C3 0.4(8) . . . . ?
C3 C8 C9 C10 -1.1(7) . . . . ?
C7 C8 C9 C10 179.5(5) . . . . ?
C8 C9 C10 N2 2.2(8) . . . . ?
N1 C11 C12 C13 53.9(5) . . . . ?
C11 C12 C13 N3 50.5(5) . . . . ?
O2 C14 C15 N4 119.6(5) . . . . ?
N3 C14 C15 N4 -60.8(5) . . . . ?
O2 C14 C15 C16 -59.2(7) . . . . ?
N3 C14 C15 C16 120.4(5) . . . . ?
N4 C15 C16 C17 180.0(5) . . . . ?
C14 C15 C16 C17 -1.4(7) . . . . ?
N4 C15 C16 C21 -0.3(6) . . . . ?
C14 C15 C16 C21 178.3(4) . . . . ?
C21 C16 C17 C18 0.4(7) . . . . ?
C15 C16 C17 C18 -179.9(5) . . . . ?
C16 C17 C18 C19 -0.5(8) . . . . ?
C17 C18 C19 C20 0.1(9) . . . . ?
C18 C19 C20 C21 0.3(9) . . . . ?
C19 C20 C21 C22 179.5(5) . . . . ?
C19 C20 C21 C16 -0.4(8) . . . . ?
C17 C16 C21 C22 -179.8(5) . . . . ?
C15 C16 C21 C22 0.4(7) . . . . ?
C17 C16 C21 C20 0.0(7) . . . . ?
C15 C16 C21 C20 -179.7(4) . . . . ?
C20 C21 C22 C23 179.8(5) . . . . ?
C16 C21 C22 C23 -0.3(8) . . . . ?
C21 C22 C23 N4 0.1(8) . . . . ?
O1 C1 N1 C11 0.2(7) . . . . ?
C2 C1 N1 C11 -179.1(4) . . . . ?
C12 C11 N1 C1 93.4(5) . . . . ?
C3 C2 N2 C10 -0.1(7) . . . . ?
C1 C2 N2 C10 178.3(4) . . . . ?
C3 C2 N2 Ag1 172.3(3) . . . 1_565 ?
C1 C2 N2 Ag1 -9.3(5) . . . 1_565 ?
C9 C10 N2 C2 -1.6(8) . . . . ?
C9 C10 N2 Ag1 -174.4(4) . . . 1_565 ?
O2 C14 N3 C13 -2.5(8) . . . . ?
C15 C14 N3 C13 177.9(4) . . . . ?
C12 C13 N3 C14 91.1(6) . . . . ?
C16 C15 N4 C23 0.1(7) . . . . ?
C14 C15 N4 C23 -178.6(4) . . . . ?
C16 C15 N4 Ag1 170.5(3) . . . . ?
C14 C15 N4 Ag1 -8.3(5) . . . . ?
C22 C23 N4 C15 0.0(8) . . . . ?
C22 C23 N4 Ag1 -171.0(4) . . . . ?
O4 C24 C25 F3 95(7) . . . . ?
O3 C24 C25 F3 -99(10) . . . . ?
O4 C24 C25 F2 -151(6) . . . . ?
O3 C24 C25 F2 15(11) . . . . ?
O4 C24 C25 F1 -31(9) . . . . ?
O3 C24 C25 F1 135(8) . . . . ?
O4B C24B C25B F1B -87(5) . . . . ?
O3B C24B C25B F1B 67(5) . . . . ?
O4B C24B C25B F2B 40(6) . . . . ?
O3B C24B C25B F2B -167(4) . . . . ?
O4B C24B C25B F3B 154(4) . . . . ?
O3B C24B C25B F3B -53(5) . . . . ?
O4C C24C C25C F1C 134(4) . . . . ?
O3C C24C C25C F1C -24(5) . . . . ?
O4C C24C C25C F2C -106(5) . . . . ?
O3C C24C C25C F2C 95(4) . . . . ?
O4C C24C C25C F3C 0(6) . . . . ?
O3C C24C C25C F3C -159(3) . . . . ?
O4C C24C O3C Ag1 -12(6) . . . 1_565 ?
C25C C24C O3C Ag1 146(2) . . . 1_565 ?

_refine_diff_density_max         0.843
_refine_diff_density_min         -0.422
_refine_diff_density_rms         0.074

####################################################################### 
# 
# 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_NisoC2_Ag_CF3COO
_database_code_depnum_ccdc_archive 'CCDC 1869696'
loop_
_audit_author_name
_audit_author_address
'Jorge Pasan'
;University of La Laguna
Spain
;
_audit_update_record             
;
2019-03-11 deposited with the CCDC.	2019-10-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C22 H18 N4 O2 Ag, C2 O2 F3'
_chemical_formula_sum            'C24 H18 Ag F3 N4 O4'
_chemical_formula_weight         591.29

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+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'

_cell_length_a                   22.6683(6)
_cell_length_b                   11.9842(2)
_cell_length_c                   17.9923(5)
_cell_angle_alpha                90
_cell_angle_beta                 111.403(3)
_cell_angle_gamma                90
_cell_volume                     4550.7(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9854
_cell_measurement_theta_min      4.1390
_cell_measurement_theta_max      73.5230

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_F_000             2368
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.6379
_exptl_crystal_size_mid          0.1246
_exptl_crystal_size_min          0.0907
_exptl_absorpt_coefficient_mu    7.695
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.326
_exptl_absorpt_correction_T_max  0.731
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Atlas
_diffrn_detector_area_resol_mean 10.5953
_diffrn_reflns_number            18357
_diffrn_reflns_av_unetI/netI     0.0157
_diffrn_reflns_av_R_equivalents  0.0221
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         4.190
_diffrn_reflns_theta_max         73.605
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4517
_reflns_number_gt                4248
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0371P)²+2.6454P] 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         4517
_refine_ls_number_parameters     412
_refine_ls_number_restraints     91
_refine_ls_R_factor_all          0.0253
_refine_ls_R_factor_gt           0.0238
_refine_ls_wR_factor_ref         0.0638
_refine_ls_wR_factor_gt          0.0624
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_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
C1 C 0.58692(9) 0.78024(15) 0.35999(11) 0.0385(4) Uani 1 1 d . . . . .
C2 C 0.62424(8) 0.67653(15) 0.39629(10) 0.0369(4) Uani 1 1 d . . . . .
C3 C 0.68900(8) 0.66577(16) 0.40449(11) 0.0394(4) Uani 1 1 d . . . . .
C4 C 0.72284(10) 0.74820(19) 0.38028(14) 0.0524(5) Uani 1 1 d . . . . .
H4 H 0.703257 0.815078 0.358637 0.063 Uiso 1 1 calc R U . . .
C5 C 0.78453(11) 0.7293(2) 0.38877(17) 0.0648(6) Uani 1 1 d . . . . .
H5 H 0.806451 0.783549 0.372314 0.078 Uiso 1 1 calc R U . . .
C6 C 0.81518(10) 0.6297(2) 0.42179(15) 0.0611(6) Uani 1 1 d . . . . .
H6 H 0.856763 0.617776 0.425753 0.073 Uiso 1 1 calc R U . . .
C7 C 0.78485(10) 0.5508(2) 0.44795(14) 0.0550(5) Uani 1 1 d . . . . .
H7 H 0.806002 0.485756 0.471058 0.066 Uiso 1 1 calc R U . . .
C8 C 0.72104(9) 0.56661(17) 0.44036(12) 0.0441(4) Uani 1 1 d . . . . .
C9 C 0.68739(10) 0.48728(19) 0.46644(14) 0.0545(5) Uani 1 1 d . . . . .
H9 H 0.707556 0.422482 0.491514 0.065 Uiso 1 1 calc R U . . .
C10 C 0.62570(10) 0.50451(18) 0.45531(15) 0.0546(5) Uani 1 1 d . . . . .
H10 H 0.604293 0.450242 0.472576 0.066 Uiso 1 1 calc R U . . .
C11 C 0.51786(10) 0.92678(16) 0.37733(14) 0.0448(4) Uani 1 1 d . . . . .
H11A H 0.504512 0.935270 0.319918 0.054 Uiso 1 1 calc R U . . .
H11B H 0.544077 0.990465 0.402096 0.054 Uiso 1 1 calc R U . . .
C12 C 0.45969(10) 0.92546(15) 0.40058(13) 0.0439(4) Uani 1 1 d . . . . .
H12A H 0.472996 0.921586 0.458239 0.053 Uiso 1 1 calc R U . . .
H12B H 0.436057 0.994136 0.382969 0.053 Uiso 1 1 calc R U . . .
C13 C 0.38521(8) 0.77803(16) 0.40151(11) 0.0399(4) Uani 1 1 d . . . . .
C14 C 0.35062(8) 0.67590(15) 0.35674(11) 0.0392(4) Uani 1 1 d . . . . .
C15 C 0.28563(9) 0.65760(16) 0.34360(12) 0.0457(4) Uani 1 1 d . . . . .
C16 C 0.24904(10) 0.72868(19) 0.37266(16) 0.0593(6) Uani 1 1 d . . . . .
H16 H 0.266819 0.793707 0.399822 0.071 Uiso 1 1 calc R U . . .
C17 C 0.18771(12) 0.7021(2) 0.3609(2) 0.0801(9) Uani 1 1 d . . . . .
H17 H 0.164421 0.748427 0.381410 0.096 Uiso 1 1 calc R U . . .
C18 C 0.15953(13) 0.6066(2) 0.3188(2) 0.0860(10) Uani 1 1 d . . . . .
H18 H 0.117798 0.589648 0.311782 0.103 Uiso 1 1 calc R U . . .
C19 C 0.19235(12) 0.5384(2) 0.28811(19) 0.0750(8) Uani 1 1 d . . . . .
H19 H 0.172653 0.475793 0.259019 0.090 Uiso 1 1 calc R U . . .
C20 C 0.25655(10) 0.56123(18) 0.29980(14) 0.0543(5) Uani 1 1 d . . . . .
C21 C 0.29356(12) 0.49269(19) 0.27097(15) 0.0641(6) Uani 1 1 d . . . . .
H21 H 0.275312 0.430764 0.239945 0.077 Uiso 1 1 calc R U . . .
C22 C 0.35549(11) 0.51563(19) 0.28779(15) 0.0585(5) Uani 1 1 d . . . . .
H22 H 0.379007 0.467709 0.268745 0.070 Uiso 1 1 calc R U . . .
Ag1 Ag 0.48996(2) 0.59665(2) 0.39940(2) 0.04599(7) Uani 1 1 d . . . . .
N1 N 0.55508(7) 0.82538(13) 0.40159(9) 0.0398(3) Uani 1 1 d . . . . .
H1 H 0.556587 0.793004 0.444904 0.048 Uiso 1 1 calc R U . . .
N2 N 0.59371(8) 0.59839(13) 0.41975(11) 0.0430(4) Uani 1 1 d . . . . .
N3 N 0.41900(7) 0.83085(12) 0.36511(9) 0.0401(3) Uani 1 1 d . . . . .
H3 H 0.416603 0.807983 0.318790 0.048 Uiso 1 1 calc R U . . .
N4 N 0.38494(8) 0.60653(13) 0.33171(11) 0.0455(4) Uani 1 1 d . . . . .
O1 O 0.58769(8) 0.81969(13) 0.29696(9) 0.0552(4) Uani 1 1 d . . . . .
O2 O 0.38127(7) 0.80668(15) 0.46471(9) 0.0576(4) Uani 1 1 d . . . . .
C23 C 0.5233(13) 0.7107(12) 0.5776(13) 0.0305(15) Uani 0.405(14) 1 d D . P A 1
C24 C 0.5066(7) 0.7281(13) 0.6513(11) 0.0488(14) Uani 0.405(14) 1 d D . P A 1
O3 O 0.5100(8) 0.6164(13) 0.5483(9) 0.0440(14) Uani 0.405(14) 1 d D . P A 1
O4 O 0.5566(7) 0.7716(17) 0.5528(14) 0.0459(19) Uani 0.405(14) 1 d D . P A 1
F1 F 0.5576(5) 0.6974(12) 0.7125(4) 0.070(3) Uani 0.405(14) 1 d D U P A 1
F2 F 0.4974(8) 0.8335(9) 0.6585(9) 0.098(4) Uani 0.405(14) 1 d D U P A 1
F3 F 0.4582(7) 0.6691(16) 0.6527(6) 0.090(4) Uani 0.405(14) 1 d D U P A 1
C23B C 0.5202(12) 0.6867(14) 0.5680(12) 0.0305(15) Uani 0.416(14) 1 d D . P A 2
C24B C 0.5159(7) 0.7143(12) 0.6516(11) 0.0488(14) Uani 0.416(14) 1 d D . P A 2
O3B O 0.4967(8) 0.6013(16) 0.5304(10) 0.0440(14) Uani 0.416(14) 1 d D . P A 2
O4B O 0.5398(8) 0.7765(18) 0.5505(16) 0.0459(19) Uani 0.416(14) 1 d D . P A 2
F1B F 0.4788(9) 0.7972(11) 0.6523(9) 0.112(6) Uani 0.416(14) 1 d D U P A 2
F2B F 0.5724(6) 0.7375(16) 0.7083(7) 0.115(5) Uani 0.416(14) 1 d D U P A 2
F3B F 0.4951(9) 0.6239(7) 0.6767(7) 0.072(3) Uani 0.416(14) 1 d D U P A 2
C23C C 0.521(2) 0.714(2) 0.5651(18) 0.0305(15) Uani 0.179(13) 1 d D . P A 3
C24C C 0.5107(10) 0.7228(18) 0.6429(14) 0.0488(14) Uani 0.179(13) 1 d D . P A 3
O3C O 0.4968(16) 0.622(3) 0.5364(18) 0.0440(14) Uani 0.179(13) 1 d D . P A 3
O4C O 0.5455(14) 0.797(2) 0.546(2) 0.032(3) Uani 0.179(13) 1 d D . P A 3
F3C F 0.4532(8) 0.746(3) 0.6386(10) 0.081(7) Uani 0.179(13) 1 d D U P A 3
F2C F 0.5263(18) 0.638(2) 0.6941(15) 0.070(8) Uani 0.179(13) 1 d D U P A 3
F1C F 0.5432(19) 0.803(3) 0.6912(17) 0.119(11) Uani 0.179(13) 1 d D U P A 3


_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
C1 O1 1.235(2) . ?
C1 N1 1.330(2) . ?
C1 C2 1.511(3) . ?
C2 N2 1.322(2) . ?
C2 C3 1.427(2) . ?
C3 C4 1.414(3) . ?
C3 C8 1.419(3) . ?
C4 C5 1.369(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.399(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.351(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.415(3) . ?
C7 H7 0.9300 . ?
C8 C9 1.403(3) . ?
C9 C10 1.354(3) . ?
C9 H9 0.9300 . ?
C10 N2 1.365(3) . ?
C10 H10 0.9300 . ?
C11 N1 1.453(2) . ?
C11 C12 1.522(3) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 N3 1.454(2) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 O2 1.222(2) . ?
C13 N3 1.335(2) . ?
C13 C14 1.517(3) . ?
C14 N4 1.325(3) . ?
C14 C15 1.421(3) . ?
C15 C16 1.416(3) . ?
C15 C20 1.418(3) . ?
C16 C17 1.366(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.392(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.352(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.419(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.402(4) . ?
C21 C22 1.352(4) . ?
C21 H21 0.9300 . ?
C22 N4 1.368(3) . ?
C22 H22 0.9300 . ?
Ag1 N2 2.2445(16) . ?
Ag1 N4 2.2468(17) . ?
Ag1 O3B 2.306(18) . ?
Ag1 O3C 2.43(3) . ?
Ag1 O3 2.560(16) . ?
N1 H1 0.8600 . ?
N3 H3 0.8600 . ?
C23 O3 1.237(12) . ?
C23 O4 1.242(15) . ?
C23 C24 1.520(15) . ?
C24 F2 1.294(15) . ?
C24 F3 1.314(15) . ?
C24 F1 1.325(15) . ?
C23B O3B 1.235(12) . ?
C23B O4B 1.247(16) . ?
C23B C24B 1.578(14) . ?
C24B F1B 1.304(15) . ?
C24B F3B 1.325(15) . ?
C24B F2B 1.343(15) . ?
C23C O4C 1.243(18) . ?
C23C O3C 1.260(18) . ?
C23C C24C 1.507(18) . ?
C24C F3C 1.306(19) . ?
C24C F1C 1.329(19) . ?
C24C F2C 1.331(19) . ?

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
O1 C1 N1 123.62(18) . . ?
O1 C1 C2 121.24(16) . . ?
N1 C1 C2 115.12(15) . . ?
N2 C2 C3 122.80(17) . . ?
N2 C2 C1 116.42(16) . . ?
C3 C2 C1 120.77(16) . . ?
C4 C3 C8 118.69(18) . . ?
C4 C3 C2 123.96(18) . . ?
C8 C3 C2 117.34(17) . . ?
C5 C4 C3 119.8(2) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 121.1(2) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C7 C6 C5 120.5(2) . . ?
C7 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C6 C7 C8 120.3(2) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
C9 C8 C7 122.6(2) . . ?
C9 C8 C3 117.97(18) . . ?
C7 C8 C3 119.4(2) . . ?
C10 C9 C8 120.37(19) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 N2 122.57(19) . . ?
C9 C10 H10 118.7 . . ?
N2 C10 H10 118.7 . . ?
N1 C11 C12 112.03(16) . . ?
N1 C11 H11A 109.2 . . ?
C12 C11 H11A 109.2 . . ?
N1 C11 H11B 109.2 . . ?
C12 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
N3 C12 C11 111.22(15) . . ?
N3 C12 H12A 109.4 . . ?
C11 C12 H12A 109.4 . . ?
N3 C12 H12B 109.4 . . ?
C11 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
O2 C13 N3 124.97(18) . . ?
O2 C13 C14 121.45(17) . . ?
N3 C13 C14 113.58(16) . . ?
N4 C14 C15 123.25(18) . . ?
N4 C14 C13 115.66(16) . . ?
C15 C14 C13 121.09(17) . . ?
C16 C15 C20 118.63(19) . . ?
C16 C15 C14 123.86(19) . . ?
C20 C15 C14 117.49(19) . . ?
C17 C16 C15 120.2(2) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 121.0(3) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
C19 C18 C17 120.5(2) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C18 C19 C20 120.7(3) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C21 C20 C15 117.6(2) . . ?
C21 C20 C19 123.5(2) . . ?
C15 C20 C19 118.9(2) . . ?
C22 C21 C20 120.7(2) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C21 C22 N4 122.6(2) . . ?
C21 C22 H22 118.7 . . ?
N4 C22 H22 118.7 . . ?
N2 Ag1 N4 158.10(7) . . ?
N2 Ag1 O3B 99.1(4) . . ?
N4 Ag1 O3B 102.4(5) . . ?
N2 Ag1 O3C 99.1(8) . . ?
N4 Ag1 O3C 101.9(8) . . ?
N2 Ag1 O3 93.1(4) . . ?
N4 Ag1 O3 108.1(4) . . ?
C1 N1 C11 123.11(16) . . ?
C1 N1 H1 118.4 . . ?
C11 N1 H1 118.4 . . ?
C2 N2 C10 118.90(17) . . ?
C2 N2 Ag1 126.44(13) . . ?
C10 N2 Ag1 114.50(13) . . ?
C13 N3 C12 122.68(16) . . ?
C13 N3 H3 118.7 . . ?
C12 N3 H3 118.7 . . ?
C14 N4 C22 118.21(19) . . ?
C14 N4 Ag1 119.10(13) . . ?
C22 N4 Ag1 117.93(14) . . ?
O3 C23 O4 118(2) . . ?
O3 C23 C24 113.4(16) . . ?
O4 C23 C24 127.5(16) . . ?
F2 C24 F3 110.9(13) . . ?
F2 C24 F1 108.1(13) . . ?
F3 C24 F1 108.3(12) . . ?
F2 C24 C23 108.8(14) . . ?
F3 C24 C23 114.8(14) . . ?
F1 C24 C23 105.6(16) . . ?
C23 O3 Ag1 116.9(15) . . ?
O3B C23B O4B 134(2) . . ?
O3B C23B C24B 122.1(16) . . ?
O4B C23B C24B 102.2(17) . . ?
F1B C24B F3B 108.0(12) . . ?
F1B C24B F2B 105.9(13) . . ?
F3B C24B F2B 105.7(12) . . ?
F1B C24B C23B 115.6(15) . . ?
F3B C24B C23B 107.9(13) . . ?
F2B C24B C23B 113.2(15) . . ?
C23B O3B Ag1 115.7(15) . . ?
O4C C23C O3C 140(3) . . ?
O4C C23C C24C 116(3) . . ?
O3C C23C C24C 104(2) . . ?
F3C C24C F1C 100.8(17) . . ?
F3C C24C F2C 102.2(17) . . ?
F1C C24C F2C 99.2(17) . . ?
F3C C24C C23C 117(3) . . ?
F1C C24C C23C 114.9(19) . . ?
F2C C24C C23C 120(2) . . ?
C23C O3C Ag1 112(2) . . ?

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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 N2 -132.6(2) . . . . ?
N1 C1 C2 N2 48.7(2) . . . . ?
O1 C1 C2 C3 47.7(3) . . . . ?
N1 C1 C2 C3 -131.05(18) . . . . ?
N2 C2 C3 C4 -179.69(19) . . . . ?
C1 C2 C3 C4 0.0(3) . . . . ?
N2 C2 C3 C8 -0.7(3) . . . . ?
C1 C2 C3 C8 179.00(16) . . . . ?
C8 C3 C4 C5 2.6(3) . . . . ?
C2 C3 C4 C5 -178.4(2) . . . . ?
C3 C4 C5 C6 -0.5(4) . . . . ?
C4 C5 C6 C7 -1.6(4) . . . . ?
C5 C6 C7 C8 1.7(4) . . . . ?
C6 C7 C8 C9 179.9(2) . . . . ?
C6 C7 C8 C3 0.4(3) . . . . ?
C4 C3 C8 C9 177.9(2) . . . . ?
C2 C3 C8 C9 -1.1(3) . . . . ?
C4 C3 C8 C7 -2.6(3) . . . . ?
C2 C3 C8 C7 178.39(18) . . . . ?
C7 C8 C9 C10 -177.7(2) . . . . ?
C3 C8 C9 C10 1.8(3) . . . . ?
C8 C9 C10 N2 -0.8(4) . . . . ?
N1 C11 C12 N3 -58.6(2) . . . . ?
O2 C13 C14 N4 -132.4(2) . . . . ?
N3 C13 C14 N4 47.7(2) . . . . ?
O2 C13 C14 C15 47.4(3) . . . . ?
N3 C13 C14 C15 -132.51(18) . . . . ?
N4 C14 C15 C16 177.4(2) . . . . ?
C13 C14 C15 C16 -2.3(3) . . . . ?
N4 C14 C15 C20 -1.5(3) . . . . ?
C13 C14 C15 C20 178.74(18) . . . . ?
C20 C15 C16 C17 2.4(4) . . . . ?
C14 C15 C16 C17 -176.6(2) . . . . ?
C15 C16 C17 C18 -1.5(5) . . . . ?
C16 C17 C18 C19 -0.4(5) . . . . ?
C17 C18 C19 C20 1.5(5) . . . . ?
C16 C15 C20 C21 179.4(2) . . . . ?
C14 C15 C20 C21 -1.6(3) . . . . ?
C16 C15 C20 C19 -1.3(3) . . . . ?
C14 C15 C20 C19 177.7(2) . . . . ?
C18 C19 C20 C21 178.6(3) . . . . ?
C18 C19 C20 C15 -0.6(4) . . . . ?
C15 C20 C21 C22 3.0(4) . . . . ?
C19 C20 C21 C22 -176.3(2) . . . . ?
C20 C21 C22 N4 -1.3(4) . . . . ?
O1 C1 N1 C11 -0.3(3) . . . . ?
C2 C1 N1 C11 178.37(16) . . . . ?
C12 C11 N1 C1 146.60(19) . . . . ?
C3 C2 N2 C10 1.8(3) . . . . ?
C1 C2 N2 C10 -177.91(18) . . . . ?
C3 C2 N2 Ag1 -173.38(13) . . . . ?
C1 C2 N2 Ag1 6.9(2) . . . . ?
C9 C10 N2 C2 -1.1(3) . . . . ?
C9 C10 N2 Ag1 174.66(19) . . . . ?
O2 C13 N3 C12 5.0(3) . . . . ?
C14 C13 N3 C12 -175.08(16) . . . . ?
C11 C12 N3 C13 146.46(18) . . . . ?
C15 C14 N4 C22 3.2(3) . . . . ?
C13 C14 N4 C22 -177.04(18) . . . . ?
C15 C14 N4 Ag1 -151.84(15) . . . . ?
C13 C14 N4 Ag1 27.9(2) . . . . ?
C21 C22 N4 C14 -1.8(3) . . . . ?
C21 C22 N4 Ag1 153.6(2) . . . . ?
O3 C23 C24 F2 -154(2) . . . . ?
O4 C23 C24 F2 38(3) . . . . ?
O3 C23 C24 F3 -29(3) . . . . ?
O4 C23 C24 F3 163(3) . . . . ?
O3 C23 C24 F1 90(3) . . . . ?
O4 C23 C24 F1 -78(3) . . . . ?
O4 C23 O3 Ag1 -36(3) . . . . ?
C24 C23 O3 Ag1 154.8(14) . . . . ?
O3B C23B C24B F1B -110(2) . . . . ?
O4B C23B C24B F1B 59(3) . . . . ?
O3B C23B C24B F3B 11(3) . . . . ?
O4B C23B C24B F3B 179.9(19) . . . . ?
O3B C23B C24B F2B 128(2) . . . . ?
O4B C23B C24B F2B -64(2) . . . . ?
O4B C23B O3B Ag1 3(4) . . . . ?
C24B C23B O3B Ag1 167.5(15) . . . . ?
O4C C23C C24C F3C 101(4) . . . . ?
O3C C23C C24C F3C -75(4) . . . . ?
O4C C23C C24C F1C -17(5) . . . . ?
O3C C23C C24C F1C 168(4) . . . . ?
O4C C23C C24C F2C -135(4) . . . . ?
O3C C23C C24C F2C 50(5) . . . . ?
O4C C23C O3C Ag1 -3(8) . . . . ?
C24C C23C O3C Ag1 170(2) . . . . ?

_refine_diff_density_max         0.214
_refine_diff_density_min         -0.743
_refine_diff_density_rms         0.063

####################################################################### 
# 
# 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_compound_C2Me_Ag_NO3_1(prime)b
_database_code_depnum_ccdc_archive 'CCDC 1869698'
loop_
_audit_author_name
_audit_author_address
'Jorge Pasan'
;University of La Laguna
Spain
;
_audit_update_record             
;
2019-10-18 deposited with the CCDC.	2019-10-23 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT911_compound_C2Me_Ag_NO3_1(prime)b 
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.600        246 Report
RESPONSE: The resolution was cut off at 0.87 due to poor diffraction and economical reasons led us to limit redundancy and number of scans. 
;
# Added during the CSD deposition process: Friday 18 October 2019 11:09 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H22 N4 O2 Ag, N O3'
_chemical_formula_sum            'C24 H22 Ag N5 O5'
_chemical_formula_weight         568.33

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   7.2584(2)
_cell_length_b                   14.4126(3)
_cell_length_c                   21.3749(5)
_cell_angle_alpha                90
_cell_angle_beta                 91.472(2)
_cell_angle_gamma                90
_cell_volume                     2235.34(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3365
_cell_measurement_theta_min      3.6240
_cell_measurement_theta_max      69.9460

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_F_000             1152
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.252
_exptl_crystal_size_mid          0.055
_exptl_crystal_size_min          0.041
_exptl_absorpt_coefficient_mu    7.651
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.411
_exptl_absorpt_correction_T_max  0.787
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
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_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Atlas
_diffrn_detector_area_resol_mean 10.5953
_diffrn_reflns_number            7502
_diffrn_reflns_av_unetI/netI     0.0278
_diffrn_reflns_av_R_equivalents  0.0209
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.699
_diffrn_reflns_theta_max         70.183
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measured_fraction_theta_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.919
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.919
_diffrn_reflns_point_group_measured_fraction_full 0.969
_reflns_number_total             3908
_reflns_number_gt                3355
_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       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_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)+(0.0421P)²+0.8000P] 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         3908
_refine_ls_number_parameters     318
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0312
_refine_ls_wR_factor_ref         0.0806
_refine_ls_wR_factor_gt          0.0766
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.002
_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 0.53355(3) 0.70794(2) 0.56220(2) 0.05221(10) Uani 1 1 d . . . . .
C1 C 0.4824(4) 0.56979(17) 0.68131(12) 0.0365(5) Uani 1 1 d . . . . .
C2 C 0.3790(3) 0.52944(17) 0.62490(12) 0.0343(5) Uani 1 1 d . . . . .
C3 C 0.2775(4) 0.44608(18) 0.63030(13) 0.0369(5) Uani 1 1 d . . . . .
C4 C 0.2649(4) 0.3959(2) 0.68659(15) 0.0469(7) Uani 1 1 d . . . . .
H4 H 0.3223 0.4181 0.7230 0.056 Uiso 1 1 calc R U . . .
C5 C 0.1684(5) 0.3144(2) 0.68778(19) 0.0586(8) Uani 1 1 d . . . . .
H5 H 0.1626 0.2808 0.7248 0.070 Uiso 1 1 calc R U . . .
C6 C 0.0779(5) 0.2812(2) 0.6335(2) 0.0605(9) Uani 1 1 d . . . . .
H6 H 0.0113 0.2262 0.6353 0.073 Uiso 1 1 calc R U . . .
C7 C 0.0859(4) 0.3275(2) 0.57867(18) 0.0542(8) Uani 1 1 d . . . . .
H7 H 0.0251 0.3042 0.5432 0.065 Uiso 1 1 calc R U . . .
C8 C 0.1870(4) 0.41215(19) 0.57503(14) 0.0423(6) Uani 1 1 d . . . . .
C9 C 0.2027(4) 0.4633(2) 0.51987(14) 0.0464(7) Uani 1 1 d . . . . .
H9 H 0.1473 0.4420 0.4829 0.056 Uiso 1 1 calc R U . . .
C10 C 0.2985(4) 0.5438(2) 0.52027(13) 0.0445(6) Uani 1 1 d . . . . .
H10 H 0.3036 0.5778 0.4834 0.053 Uiso 1 1 calc R U . . .
C11 C 0.7312(4) 0.45920(19) 0.65754(14) 0.0429(6) Uani 1 1 d . . . . .
H11A H 0.8021 0.4891 0.6260 0.064 Uiso 1 1 calc R U . . .
H11B H 0.6373 0.4216 0.6378 0.064 Uiso 1 1 calc R U . . .
H11C H 0.8106 0.4208 0.6831 0.064 Uiso 1 1 calc R U . . .
C12 C 0.7525(4) 0.56201(19) 0.75091(12) 0.0417(6) Uani 1 1 d . . . . .
H12A H 0.7839 0.5095 0.7775 0.050 Uiso 1 1 calc R U . . .
H12B H 0.6771 0.6040 0.7748 0.050 Uiso 1 1 calc R U . . .
C13 C 0.9282(4) 0.61157(19) 0.73343(13) 0.0429(6) Uani 1 1 d . . . . .
H13A H 1.0006 0.6246 0.7712 0.051 Uiso 1 1 calc R U . . .
H13B H 1.0003 0.5710 0.7074 0.051 Uiso 1 1 calc R U . . .
C14 C 0.8192(5) 0.7742(2) 0.73696(15) 0.0531(8) Uani 1 1 d . . . . .
H14A H 0.8570 0.8324 0.7197 0.080 Uiso 1 1 calc R U . . .
H14B H 0.8649 0.7691 0.7794 0.080 Uiso 1 1 calc R U . . .
H14C H 0.6870 0.7708 0.7362 0.080 Uiso 1 1 calc R U . . .
C15 C 0.9242(4) 0.70443(17) 0.63861(13) 0.0361(5) Uani 1 1 d . . . . .
C16 C 0.8993(4) 0.79963(17) 0.60951(13) 0.0384(6) Uani 1 1 d . . . . .
C17 C 1.0428(4) 0.86552(19) 0.61546(13) 0.0436(6) Uani 1 1 d . . . . .
C18 C 1.2155(5) 0.8448(2) 0.64453(15) 0.0526(7) Uani 1 1 d . . . . .
H18 H 1.2397 0.7857 0.6601 0.063 Uiso 1 1 calc R U . . .
C19 C 1.3461(6) 0.9129(3) 0.64932(18) 0.0703(11) Uani 1 1 d . . . . .
H19 H 1.4594 0.8995 0.6685 0.084 Uiso 1 1 calc R U . . .
C20 C 1.3137(7) 1.0017(3) 0.62622(19) 0.0789(13) Uani 1 1 d . . . . .
H20 H 1.4051 1.0467 0.6304 0.095 Uiso 1 1 calc R U . . .
C21 C 1.1502(7) 1.0235(2) 0.59767(18) 0.0730(12) Uani 1 1 d . . . . .
H21 H 1.1306 1.0833 0.5825 0.088 Uiso 1 1 calc R U . . .
C22 C 1.0082(5) 0.9556(2) 0.59067(15) 0.0532(8) Uani 1 1 d . . . . .
C23 C 0.8381(6) 0.9713(2) 0.56016(18) 0.0630(9) Uani 1 1 d . . . . .
H23 H 0.8105 1.0297 0.5440 0.076 Uiso 1 1 calc R U . . .
C24 C 0.7132(5) 0.9016(2) 0.55405(17) 0.0575(8) Uani 1 1 d . . . . .
H24 H 0.6039 0.9129 0.5317 0.069 Uiso 1 1 calc R U . . .
N1 N 0.6455(3) 0.52927(15) 0.69646(10) 0.0369(5) Uani 1 1 d . . . . .
N2 N 0.3886(3) 0.57750(16) 0.57268(10) 0.0387(5) Uani 1 1 d . . . . .
N3 N 0.8929(3) 0.69851(14) 0.69993(11) 0.0391(5) Uani 1 1 d . . . . .
N4 N 0.7415(4) 0.81542(16) 0.57939(12) 0.0448(5) Uani 1 1 d . . . . .
O1 O 0.4162(3) 0.63438(16) 0.70951(11) 0.0566(6) Uani 1 1 d . . . . .
O2 O 0.9751(3) 0.63978(14) 0.60610(10) 0.0507(5) Uani 1 1 d . . . . .
N5 N 0.3756(4) 0.78687(17) 0.43703(13) 0.0492(6) Uani 1 1 d . . . . .
O3 O 0.3333(5) 0.8260(2) 0.38767(13) 0.0765(8) Uani 1 1 d . . . . .
O4 O 0.3143(5) 0.8131(2) 0.48721(13) 0.0855(9) Uani 1 1 d . . . . .
O5 O 0.4753(5) 0.7173(2) 0.43820(16) 0.0938(11) 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 N2 2.169(2) . ?
Ag1 N4 2.187(2) . ?
C1 O1 1.215(3) . ?
C1 N1 1.352(4) . ?
C1 C2 1.520(4) . ?
C2 N2 1.317(4) . ?
C2 C3 1.416(4) . ?
C3 C4 1.409(4) . ?
C3 C8 1.424(4) . ?
C4 C5 1.368(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.402(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.352(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.427(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.398(5) . ?
C9 C10 1.353(5) . ?
C9 H9 0.9300 . ?
C10 N2 1.371(4) . ?
C10 H10 0.9300 . ?
C11 N1 1.458(4) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 N1 1.461(3) . ?
C12 C13 1.517(4) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 N3 1.463(3) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 N3 1.457(4) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 O2 1.225(3) . ?
C15 N3 1.339(4) . ?
C15 C16 1.515(4) . ?
C16 N4 1.320(4) . ?
C16 C17 1.413(4) . ?
C17 C18 1.416(5) . ?
C17 C22 1.422(4) . ?
C18 C19 1.367(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.389(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.358(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.427(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.400(6) . ?
C23 C24 1.357(5) . ?
C23 H23 0.9300 . ?
C24 N4 1.368(4) . ?
C24 H24 0.9300 . ?
N5 O3 1.229(4) . ?
N5 O4 1.231(4) . ?
N5 O5 1.236(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
_geom_angle_publ_flag
N2 Ag1 N4 158.61(8) . . ?
O1 C1 N1 124.6(2) . . ?
O1 C1 C2 119.5(2) . . ?
N1 C1 C2 115.9(2) . . ?
N2 C2 C3 123.7(2) . . ?
N2 C2 C1 115.8(2) . . ?
C3 C2 C1 120.5(2) . . ?
C4 C3 C2 123.4(2) . . ?
C4 C3 C8 119.6(3) . . ?
C2 C3 C8 117.0(3) . . ?
C5 C4 C3 120.1(3) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 120.5(3) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C7 C6 C5 121.3(3) . . ?
C7 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
C6 C7 C8 120.2(3) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C9 C8 C3 118.2(3) . . ?
C9 C8 C7 123.4(3) . . ?
C3 C8 C7 118.4(3) . . ?
C10 C9 C8 120.0(3) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 N2 122.9(3) . . ?
C9 C10 H10 118.5 . . ?
N2 C10 H10 118.5 . . ?
N1 C11 H11A 109.5 . . ?
N1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 C13 112.9(2) . . ?
N1 C12 H12A 109.0 . . ?
C13 C12 H12A 109.0 . . ?
N1 C12 H12B 109.0 . . ?
C13 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
N3 C13 C12 112.7(2) . . ?
N3 C13 H13A 109.1 . . ?
C12 C13 H13A 109.1 . . ?
N3 C13 H13B 109.1 . . ?
C12 C13 H13B 109.1 . . ?
H13A C13 H13B 107.8 . . ?
N3 C14 H14A 109.5 . . ?
N3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O2 C15 N3 124.6(2) . . ?
O2 C15 C16 119.4(3) . . ?
N3 C15 C16 116.0(2) . . ?
N4 C16 C17 123.8(2) . . ?
N4 C16 C15 116.7(2) . . ?
C17 C16 C15 119.5(2) . . ?
C16 C17 C18 122.7(3) . . ?
C16 C17 C22 117.2(3) . . ?
C18 C17 C22 120.1(3) . . ?
C19 C18 C17 119.0(3) . . ?
C19 C18 H18 120.5 . . ?
C17 C18 H18 120.5 . . ?
C18 C19 C20 121.6(4) . . ?
C18 C19 H19 119.2 . . ?
C20 C19 H19 119.2 . . ?
C21 C20 C19 120.7(3) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C20 C21 C22 120.6(4) . . ?
C20 C21 H21 119.7 . . ?
C22 C21 H21 119.7 . . ?
C23 C22 C17 117.8(3) . . ?
C23 C22 C21 124.4(3) . . ?
C17 C22 C21 117.8(3) . . ?
C24 C23 C22 120.3(3) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 N4 122.7(3) . . ?
C23 C24 H24 118.6 . . ?
N4 C24 H24 118.6 . . ?
C1 N1 C11 123.1(2) . . ?
C1 N1 C12 119.7(2) . . ?
C11 N1 C12 116.9(2) . . ?
C2 N2 C10 118.1(2) . . ?
C2 N2 Ag1 125.42(17) . . ?
C10 N2 Ag1 116.43(19) . . ?
C15 N3 C14 123.9(2) . . ?
C15 N3 C13 120.1(2) . . ?
C14 N3 C13 115.9(2) . . ?
C16 N4 C24 118.0(3) . . ?
C16 N4 Ag1 123.13(18) . . ?
C24 N4 Ag1 118.7(2) . . ?
O3 N5 O4 121.2(3) . . ?
O3 N5 O5 121.6(3) . . ?
O4 N5 O5 117.1(3) . . ?

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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 N2 77.7(4) . . . . ?
N1 C1 C2 N2 -102.5(3) . . . . ?
O1 C1 C2 C3 -101.2(3) . . . . ?
N1 C1 C2 C3 78.6(3) . . . . ?
N2 C2 C3 C4 -178.8(3) . . . . ?
C1 C2 C3 C4 0.1(4) . . . . ?
N2 C2 C3 C8 2.2(4) . . . . ?
C1 C2 C3 C8 -179.0(2) . . . . ?
C2 C3 C4 C5 -178.2(3) . . . . ?
C8 C3 C4 C5 0.9(4) . . . . ?
C3 C4 C5 C6 -1.4(5) . . . . ?
C4 C5 C6 C7 1.0(6) . . . . ?
C5 C6 C7 C8 -0.2(5) . . . . ?
C4 C3 C8 C9 -179.7(3) . . . . ?
C2 C3 C8 C9 -0.6(4) . . . . ?
C4 C3 C8 C7 0.0(4) . . . . ?
C2 C3 C8 C7 179.1(3) . . . . ?
C6 C7 C8 C9 179.4(3) . . . . ?
C6 C7 C8 C3 -0.3(4) . . . . ?
C3 C8 C9 C10 -1.4(4) . . . . ?
C7 C8 C9 C10 178.9(3) . . . . ?
C8 C9 C10 N2 2.2(5) . . . . ?
N1 C12 C13 N3 65.9(3) . . . . ?
O2 C15 C16 N4 83.0(4) . . . . ?
N3 C15 C16 N4 -98.9(3) . . . . ?
O2 C15 C16 C17 -96.7(3) . . . . ?
N3 C15 C16 C17 81.4(3) . . . . ?
N4 C16 C17 C18 -175.8(3) . . . . ?
C15 C16 C17 C18 3.9(4) . . . . ?
N4 C16 C17 C22 4.1(4) . . . . ?
C15 C16 C17 C22 -176.2(3) . . . . ?
C16 C17 C18 C19 -178.9(3) . . . . ?
C22 C17 C18 C19 1.2(5) . . . . ?
C17 C18 C19 C20 -0.2(6) . . . . ?
C18 C19 C20 C21 -0.3(6) . . . . ?
C19 C20 C21 C22 -0.1(6) . . . . ?
C16 C17 C22 C23 -2.4(4) . . . . ?
C18 C17 C22 C23 177.4(3) . . . . ?
C16 C17 C22 C21 178.5(3) . . . . ?
C18 C17 C22 C21 -1.6(5) . . . . ?
C20 C21 C22 C23 -177.9(4) . . . . ?
C20 C21 C22 C17 1.1(5) . . . . ?
C17 C22 C23 C24 -1.0(5) . . . . ?
C21 C22 C23 C24 178.0(4) . . . . ?
C22 C23 C24 N4 3.3(6) . . . . ?
O1 C1 N1 C11 -172.6(3) . . . . ?
C2 C1 N1 C11 7.6(4) . . . . ?
O1 C1 N1 C12 1.3(4) . . . . ?
C2 C1 N1 C12 -178.6(2) . . . . ?
C13 C12 N1 C1 -110.6(3) . . . . ?
C13 C12 N1 C11 63.7(3) . . . . ?
C3 C2 N2 C10 -1.5(4) . . . . ?
C1 C2 N2 C10 179.6(2) . . . . ?
C3 C2 N2 Ag1 177.74(19) . . . . ?
C1 C2 N2 Ag1 -1.1(3) . . . . ?
C9 C10 N2 C2 -0.7(4) . . . . ?
C9 C10 N2 Ag1 179.9(2) . . . . ?
O2 C15 N3 C14 -175.2(3) . . . . ?
C16 C15 N3 C14 6.8(4) . . . . ?
O2 C15 N3 C13 3.1(4) . . . . ?
C16 C15 N3 C13 -174.8(2) . . . . ?
C12 C13 N3 C15 -107.7(3) . . . . ?
C12 C13 N3 C14 70.8(3) . . . . ?
C17 C16 N4 C24 -2.0(5) . . . . ?
C15 C16 N4 C24 178.3(3) . . . . ?
C17 C16 N4 Ag1 173.3(2) . . . . ?
C15 C16 N4 Ag1 -6.4(4) . . . . ?
C23 C24 N4 C16 -1.8(5) . . . . ?
C23 C24 N4 Ag1 -177.3(3) . . . . ?

_refine_diff_density_max         0.523
_refine_diff_density_min         -0.368
_refine_diff_density_rms         0.055

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_compound_C2Me_Ag_ClO4
_database_code_depnum_ccdc_archive 'CCDC 1869697'
loop_
_audit_author_name
_audit_author_address
'Jorge Pasan'
;University of La Laguna
Spain
;
_audit_update_record             
;
2019-03-11 deposited with the CCDC.	2019-10-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C24 H22 N4 O2 Ag), 2(Cl O4)'
_chemical_formula_sum            'C48 H44 Ag2 Cl2 N8 O12'
_chemical_formula_weight         1211.55

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   9.2321(3)
_cell_length_b                   11.4380(4)
_cell_length_c                   11.8530(4)
_cell_angle_alpha                96.574(3)
_cell_angle_beta                 91.848(2)
_cell_angle_gamma                104.559(3)
_cell_volume                     1201.05(7)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8022
_cell_measurement_theta_min      3.7130
_cell_measurement_theta_max      70.1180

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_F_000             612
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.189
_exptl_crystal_size_mid          0.139
_exptl_crystal_size_min          0.066
_exptl_absorpt_coefficient_mu    8.181
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.352
_exptl_absorpt_correction_T_max  0.640
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      293(2)
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Atlas
_diffrn_detector_area_resol_mean 10.5953
_diffrn_reflns_number            11671
_diffrn_reflns_av_unetI/netI     0.0175
_diffrn_reflns_av_R_equivalents  0.0197
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.761
_diffrn_reflns_theta_max         70.199
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             4444
_reflns_number_gt                4127
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0360P)²+0.3098P] 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         4444
_refine_ls_number_parameters     420
_refine_ls_number_restraints     145
_refine_ls_R_factor_all          0.0267
_refine_ls_R_factor_gt           0.0244
_refine_ls_wR_factor_ref         0.0665
_refine_ls_wR_factor_gt          0.0645
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.002
_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 0.65201(2) 0.52873(2) 0.91463(2) 0.06431(8) Uani 1 1 d . . . . .
C2 C 0.6729(2) 0.30320(18) 0.74510(18) 0.0479(4) Uani 1 1 d . . . . .
C3 C 0.6646(3) 0.2282(2) 0.64009(19) 0.0548(5) Uani 1 1 d . . . . .
C23 C 0.8503(3) 0.7973(3) 1.2114(4) 0.0969(12) Uani 1 1 d . . . . .
H23 H 0.882363 0.881812 1.223168 0.116 Uiso 1 1 calc R U . . .
C24 C 0.7985(3) 0.7399(2) 1.1070(3) 0.0794(8) Uani 1 1 d . . . . .
H24 H 0.795297 0.786441 1.048062 0.095 Uiso 1 1 calc R U . . .
C8 C 0.5969(3) 0.2612(3) 0.5438(2) 0.0682(6) Uani 1 1 d . . . . .
C22 C 0.8562(3) 0.7306(3) 1.3019(3) 0.0861(10) Uani 1 1 d . . . . .
C1 C 0.7542(2) 0.27793(17) 0.84856(17) 0.0463(4) Uani 1 1 d . . . . .
C5 C 0.7131(4) 0.0581(3) 0.5238(3) 0.0887(9) Uani 1 1 d . . . . .
H5 H 0.750676 -0.010421 0.516144 0.106 Uiso 1 1 calc R U . . .
C15 C 0.6966(2) 0.41414(19) 1.13690(18) 0.0510(4) Uani 1 1 d . . . . .
C16 C 0.7588(2) 0.54996(19) 1.1676(2) 0.0537(5) Uani 1 1 d . . . . .
C13 C 0.7311(3) 0.21056(19) 1.11939(19) 0.0546(5) Uani 1 1 d . . . . .
H13A H 0.623860 0.190302 1.128154 0.066 Uiso 1 1 calc R U . . .
H13B H 0.776790 0.174065 1.176222 0.066 Uiso 1 1 calc R U . . .
C17 C 0.8102(2) 0.6015(3) 1.2803(2) 0.0680(7) Uani 1 1 d . . . . .
C12 C 0.7600(3) 0.15651(19) 1.00191(19) 0.0532(5) Uani 1 1 d . . . . .
H12A H 0.866735 0.180950 0.991578 0.064 Uiso 1 1 calc R U . . .
H12B H 0.730475 0.068413 0.997205 0.064 Uiso 1 1 calc R U . . .
C14 C 0.9530(2) 0.3892(2) 1.1555(2) 0.0653(6) Uani 1 1 d . . . . .
H14A H 0.979523 0.476455 1.161201 0.098 Uiso 1 1 calc R U . . .
H14B H 0.998516 0.356681 1.091719 0.098 Uiso 1 1 calc R U . . .
H14C H 0.988039 0.364741 1.224005 0.098 Uiso 1 1 calc R U . . .
C11 C 0.5213(3) 0.1341(2) 0.8894(2) 0.0624(6) Uani 1 1 d . . . . .
H11A H 0.479313 0.168858 0.830316 0.094 Uiso 1 1 calc R U . . .
H11B H 0.471026 0.145233 0.957932 0.094 Uiso 1 1 calc R U . . .
H11C H 0.508535 0.048720 0.866409 0.094 Uiso 1 1 calc R U . . .
C4 C 0.7213(3) 0.1244(2) 0.6284(2) 0.0672(6) Uani 1 1 d . . . . .
H4 H 0.764177 0.101148 0.691408 0.081 Uiso 1 1 calc R U . . .
C18 C 0.8137(3) 0.5312(4) 1.3706(2) 0.0851(9) Uani 1 1 d . . . . .
H18 H 0.782421 0.446656 1.357212 0.102 Uiso 1 1 calc R U . . .
C10 C 0.5550(3) 0.4309(2) 0.6626(2) 0.0677(6) Uani 1 1 d . . . . .
H10 H 0.518137 0.499819 0.670217 0.081 Uiso 1 1 calc R U . . .
C7 C 0.5914(4) 0.1890(3) 0.4370(2) 0.0916(10) Uani 1 1 d . . . . .
H7 H 0.547744 0.209083 0.372565 0.110 Uiso 1 1 calc R U . . .
C19 C 0.8633(4) 0.5883(5) 1.4776(3) 0.1155(15) Uani 1 1 d . . . . .
H19 H 0.865952 0.542199 1.536926 0.139 Uiso 1 1 calc R U . . .
C20 C 0.9102(5) 0.7155(7) 1.4989(4) 0.147(3) Uani 1 1 d . . . . .
H20 H 0.943828 0.752732 1.572211 0.176 Uiso 1 1 calc R U . . .
C6 C 0.6494(5) 0.0916(4) 0.4289(3) 0.0991(11) Uani 1 1 d . . . . .
H6 H 0.646716 0.045914 0.358364 0.119 Uiso 1 1 calc R U . . .
C9 C 0.5395(3) 0.3642(3) 0.5604(2) 0.0762(7) Uani 1 1 d . . . . .
H9 H 0.490263 0.386270 0.499724 0.091 Uiso 1 1 calc R U . . .
C21 C 0.9074(4) 0.7844(5) 1.4151(5) 0.1262(19) Uani 1 1 d . . . . .
H21 H 0.939413 0.868689 1.431247 0.151 Uiso 1 1 calc R U . . .
N2 N 0.6227(2) 0.40237(16) 0.75658(16) 0.0530(4) Uani 1 1 d . . . . .
N4 N 0.7501(2) 0.61523(16) 1.08394(18) 0.0587(5) Uani 1 1 d . . . . .
N1 N 0.67955(19) 0.19383(15) 0.90977(15) 0.0474(4) Uani 1 1 d . . . . .
N3 N 0.79014(18) 0.34303(16) 1.13989(15) 0.0498(4) Uani 1 1 d . . . . .
O1 O 0.88599(17) 0.33309(16) 0.86909(16) 0.0677(4) Uani 1 1 d . . . . .
O2 O 0.56077(17) 0.37439(15) 1.11120(18) 0.0736(5) Uani 1 1 d . . . . .
Cl1A Cl 0.7824(17) 0.8418(10) 0.7871(6) 0.053(2) Uani 0.295(16) 1 d D U P A 1
O1A O 0.680(3) 0.9108(19) 0.8007(19) 0.122(8) Uani 0.295(16) 1 d D U P A 1
O2A O 0.916(2) 0.902(2) 0.739(2) 0.160(12) Uani 0.295(16) 1 d D U P A 1
O3A O 0.714(2) 0.7331(13) 0.7130(17) 0.103(7) Uani 0.295(16) 1 d D . P A 1
O4A O 0.823(3) 0.810(4) 0.8935(13) 0.229(18) Uani 0.295(16) 1 d D . P A 1
Cl1B Cl 0.8053(11) 0.8552(9) 0.7874(7) 0.089(3) Uani 0.463(13) 1 d D U P B 2
O1B O 0.6713(11) 0.8897(12) 0.8230(15) 0.100(4) Uani 0.463(13) 1 d D U P B 2
O2B O 0.8521(16) 0.9067(9) 0.6906(8) 0.135(5) Uani 0.463(13) 1 d D . P B 2
O3B O 0.7629(10) 0.7259(6) 0.7688(9) 0.079(2) Uani 0.463(13) 1 d D . P B 2
O4B O 0.9188(11) 0.8949(8) 0.8755(9) 0.149(4) Uani 0.463(13) 1 d D . P B 2
Cl1C Cl 0.7679(18) 0.8330(14) 0.7809(13) 0.081(5) Uani 0.254(12) 1 d D U P C 3
O1C O 0.695(3) 0.897(2) 0.860(2) 0.172(15) Uani 0.254(12) 1 d D U P C 3
O2C O 0.7958(17) 0.7349(17) 0.832(2) 0.124(9) Uani 0.254(12) 1 d D . P C 3
O3C O 0.670(2) 0.782(3) 0.6827(13) 0.183(11) Uani 0.254(12) 1 d D . P C 3
O4C O 0.8986(19) 0.9111(19) 0.750(2) 0.119(9) Uani 0.254(12) 1 d D U P C 3


_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 N4 2.192(2) . ?
Ag1 N2 2.1960(19) . ?
Ag1 O2 2.5126(16) 2_667 ?
C2 N2 1.324(3) . ?
C2 C3 1.417(3) . ?
C2 C1 1.511(3) . ?
C3 C4 1.408(3) . ?
C3 C8 1.416(3) . ?
C23 C24 1.344(5) . ?
C23 C22 1.392(5) . ?
C23 H23 0.9300 . ?
C24 N4 1.375(3) . ?
C24 H24 0.9300 . ?
C8 C9 1.406(4) . ?
C8 C7 1.423(4) . ?
C22 C17 1.420(4) . ?
C22 C21 1.424(5) . ?
C1 O1 1.223(3) . ?
C1 N1 1.336(3) . ?
C5 C4 1.366(4) . ?
C5 C6 1.389(5) . ?
C5 H5 0.9300 . ?
C15 O2 1.236(3) . ?
C15 N3 1.329(3) . ?
C15 C16 1.511(3) . ?
C16 N4 1.320(3) . ?
C16 C17 1.412(3) . ?
C13 N3 1.464(3) . ?
C13 C12 1.517(3) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C17 C18 1.415(4) . ?
C12 N1 1.463(3) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C14 N3 1.461(3) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C11 N1 1.448(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C4 H4 0.9300 . ?
C18 C19 1.367(5) . ?
C18 H18 0.9300 . ?
C10 C9 1.339(4) . ?
C10 N2 1.371(3) . ?
C10 H10 0.9300 . ?
C7 C6 1.348(5) . ?
C7 H7 0.9300 . ?
C19 C20 1.400(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.339(8) . ?
C20 H20 0.9300 . ?
C6 H6 0.9300 . ?
C9 H9 0.9300 . ?
C21 H21 0.9300 . ?
Cl1A O1A 1.375(12) . ?
Cl1A O4A 1.415(12) . ?
Cl1A O2A 1.424(14) . ?
Cl1A O3A 1.426(12) . ?
Cl1B O2B 1.382(10) . ?
Cl1B O4B 1.406(11) . ?
Cl1B O3B 1.420(10) . ?
Cl1B O1B 1.450(10) . ?
Cl1C O4C 1.395(15) . ?
Cl1C O2C 1.407(14) . ?
Cl1C O1C 1.415(15) . ?
Cl1C O3C 1.421(15) . ?

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
N4 Ag1 N2 156.74(7) . . ?
N4 Ag1 O2 101.99(6) . 2_667 ?
N2 Ag1 O2 101.17(7) . 2_667 ?
N2 C2 C3 123.2(2) . . ?
N2 C2 C1 116.63(18) . . ?
C3 C2 C1 119.92(18) . . ?
C4 C3 C8 119.6(2) . . ?
C4 C3 C2 122.7(2) . . ?
C8 C3 C2 117.6(2) . . ?
C24 C23 C22 120.3(3) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 N4 122.7(3) . . ?
C23 C24 H24 118.6 . . ?
N4 C24 H24 118.6 . . ?
C9 C8 C3 117.4(2) . . ?
C9 C8 C7 124.1(3) . . ?
C3 C8 C7 118.4(3) . . ?
C23 C22 C17 118.4(3) . . ?
C23 C22 C21 123.8(4) . . ?
C17 C22 C21 117.8(4) . . ?
O1 C1 N1 124.00(19) . . ?
O1 C1 C2 117.87(18) . . ?
N1 C1 C2 118.09(17) . . ?
C4 C5 C6 120.9(3) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
O2 C15 N3 123.1(2) . . ?
O2 C15 C16 118.40(19) . . ?
N3 C15 C16 118.46(18) . . ?
N4 C16 C17 123.5(2) . . ?
N4 C16 C15 114.91(19) . . ?
C17 C16 C15 121.4(2) . . ?
N3 C13 C12 112.92(17) . . ?
N3 C13 H13A 109.0 . . ?
C12 C13 H13A 109.0 . . ?
N3 C13 H13B 109.0 . . ?
C12 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
C16 C17 C18 123.2(3) . . ?
C16 C17 C22 117.0(3) . . ?
C18 C17 C22 119.8(3) . . ?
N1 C12 C13 113.38(17) . . ?
N1 C12 H12A 108.9 . . ?
C13 C12 H12A 108.9 . . ?
N1 C12 H12B 108.9 . . ?
C13 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
N3 C14 H14A 109.5 . . ?
N3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C11 H11A 109.5 . . ?
N1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C5 C4 C3 119.6(3) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C19 C18 C17 119.5(4) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C9 C10 N2 123.0(2) . . ?
C9 C10 H10 118.5 . . ?
N2 C10 H10 118.5 . . ?
C6 C7 C8 120.1(3) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C18 C19 C20 120.8(5) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
C21 C20 C19 121.0(4) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C7 C6 C5 121.3(3) . . ?
C7 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C10 C9 C8 120.6(2) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C20 C21 C22 121.1(5) . . ?
C20 C21 H21 119.4 . . ?
C22 C21 H21 119.4 . . ?
C2 N2 C10 118.0(2) . . ?
C2 N2 Ag1 123.88(15) . . ?
C10 N2 Ag1 118.07(16) . . ?
C16 N4 C24 118.1(2) . . ?
C16 N4 Ag1 121.23(14) . . ?
C24 N4 Ag1 120.6(2) . . ?
C1 N1 C11 123.79(18) . . ?
C1 N1 C12 119.38(17) . . ?
C11 N1 C12 116.83(17) . . ?
C15 N3 C14 123.69(19) . . ?
C15 N3 C13 119.59(18) . . ?
C14 N3 C13 116.60(18) . . ?
C15 O2 Ag1 134.26(14) . 2_667 ?
O1A Cl1A O4A 110.0(11) . . ?
O1A Cl1A O2A 113.3(12) . . ?
O4A Cl1A O2A 108.1(14) . . ?
O1A Cl1A O3A 108.5(13) . . ?
O4A Cl1A O3A 108.8(12) . . ?
O2A Cl1A O3A 107.9(10) . . ?
O2B Cl1B O4B 110.2(9) . . ?
O2B Cl1B O3B 112.8(8) . . ?
O4B Cl1B O3B 109.5(8) . . ?
O2B Cl1B O1B 109.7(9) . . ?
O4B Cl1B O1B 109.5(9) . . ?
O3B Cl1B O1B 105.0(8) . . ?
O4C Cl1C O2C 112.6(14) . . ?
O4C Cl1C O1C 110.1(14) . . ?
O2C Cl1C O1C 107.6(14) . . ?
O4C Cl1C O3C 110.0(14) . . ?
O2C Cl1C O3C 106.8(13) . . ?
O1C Cl1C O3C 109.6(14) . . ?

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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 C2 C3 C4 178.6(2) . . . . ?
C1 C2 C3 C4 4.1(3) . . . . ?
N2 C2 C3 C8 -1.0(3) . . . . ?
C1 C2 C3 C8 -175.39(19) . . . . ?
C22 C23 C24 N4 -0.3(4) . . . . ?
C4 C3 C8 C9 178.9(2) . . . . ?
C2 C3 C8 C9 -1.6(3) . . . . ?
C4 C3 C8 C7 -1.3(4) . . . . ?
C2 C3 C8 C7 178.2(2) . . . . ?
C24 C23 C22 C17 1.7(4) . . . . ?
C24 C23 C22 C21 -179.0(3) . . . . ?
N2 C2 C1 O1 -80.7(2) . . . . ?
C3 C2 C1 O1 94.1(2) . . . . ?
N2 C2 C1 N1 101.6(2) . . . . ?
C3 C2 C1 N1 -83.6(2) . . . . ?
O2 C15 C16 N4 -65.0(3) . . . . ?
N3 C15 C16 N4 115.7(2) . . . . ?
O2 C15 C16 C17 110.0(3) . . . . ?
N3 C15 C16 C17 -69.3(3) . . . . ?
N4 C16 C17 C18 177.4(2) . . . . ?
C15 C16 C17 C18 2.8(3) . . . . ?
N4 C16 C17 C22 -0.9(3) . . . . ?
C15 C16 C17 C22 -175.5(2) . . . . ?
C23 C22 C17 C16 -1.1(3) . . . . ?
C21 C22 C17 C16 179.6(2) . . . . ?
C23 C22 C17 C18 -179.5(2) . . . . ?
C21 C22 C17 C18 1.2(4) . . . . ?
N3 C13 C12 N1 -66.1(2) . . . . ?
C6 C5 C4 C3 0.0(5) . . . . ?
C8 C3 C4 C5 1.3(4) . . . . ?
C2 C3 C4 C5 -178.2(2) . . . . ?
C16 C17 C18 C19 -179.1(3) . . . . ?
C22 C17 C18 C19 -0.9(4) . . . . ?
C9 C8 C7 C6 180.0(3) . . . . ?
C3 C8 C7 C6 0.2(4) . . . . ?
C17 C18 C19 C20 0.2(5) . . . . ?
C18 C19 C20 C21 0.1(6) . . . . ?
C8 C7 C6 C5 1.1(5) . . . . ?
C4 C5 C6 C7 -1.2(5) . . . . ?
N2 C10 C9 C8 -1.7(4) . . . . ?
C3 C8 C9 C10 2.9(4) . . . . ?
C7 C8 C9 C10 -176.9(3) . . . . ?
C19 C20 C21 C22 0.2(7) . . . . ?
C23 C22 C21 C20 179.9(4) . . . . ?
C17 C22 C21 C20 -0.9(5) . . . . ?
C3 C2 N2 C10 2.2(3) . . . . ?
C1 C2 N2 C10 176.84(19) . . . . ?
C3 C2 N2 Ag1 -174.40(15) . . . . ?
C1 C2 N2 Ag1 0.2(2) . . . . ?
C9 C10 N2 C2 -0.9(4) . . . . ?
C9 C10 N2 Ag1 175.9(2) . . . . ?
C17 C16 N4 C24 2.3(3) . . . . ?
C15 C16 N4 C24 177.20(19) . . . . ?
C17 C16 N4 Ag1 -174.97(15) . . . . ?
C15 C16 N4 Ag1 -0.1(2) . . . . ?
C23 C24 N4 C16 -1.7(4) . . . . ?
C23 C24 N4 Ag1 175.6(2) . . . . ?
O1 C1 N1 C11 176.1(2) . . . . ?
C2 C1 N1 C11 -6.3(3) . . . . ?
O1 C1 N1 C12 -5.1(3) . . . . ?
C2 C1 N1 C12 172.53(17) . . . . ?
C13 C12 N1 C1 103.8(2) . . . . ?
C13 C12 N1 C11 -77.3(2) . . . . ?
O2 C15 N3 C14 171.8(2) . . . . ?
C16 C15 N3 C14 -8.9(3) . . . . ?
O2 C15 N3 C13 -4.1(3) . . . . ?
C16 C15 N3 C13 175.16(19) . . . . ?
C12 C13 N3 C15 104.2(2) . . . . ?
C12 C13 N3 C14 -72.0(2) . . . . ?
N3 C15 O2 Ag1 -176.53(16) . . . 2_667 ?
C16 C15 O2 Ag1 4.2(3) . . . 2_667 ?

_refine_diff_density_max         0.241
_refine_diff_density_min         -0.464
_refine_diff_density_rms         0.040

####################################################################### 
# 
# 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_compound_C3_Ag_NO3_2b
_database_code_depnum_ccdc_archive 'CCDC 1869700'
loop_
_audit_author_name
_audit_author_address
'Jorge Pasan'
;University of La Laguna
Spain
;
_audit_update_record             
;
2019-10-17 deposited with the CCDC.	2019-10-23 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT241_compound_C3_Ag_NO3_2b 
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of         O4 Check
RESPONSE: O4 is an oxygen atom from a free nitrate molecule. O4, contrary to O3 and O5 does not participate as acceptor of H-bonds and its ADP is higher than the other atoms in the group.
;
# Added during the CSD deposition process: Thursday 17 October 2019 11:57 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H20 N4 O2 Ag, N O3, H2 O'
_chemical_formula_sum            'C23 H22 Ag N5 O6'
_chemical_formula_weight         572.32

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   7.3244(6)
_cell_length_b                   8.2198(7)
_cell_length_c                   19.5570(10)
_cell_angle_alpha                87.931(5)
_cell_angle_beta                 86.794(6)
_cell_angle_gamma                88.681(7)
_cell_volume                     1174.56(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3180
_cell_measurement_theta_min      4.4210
_cell_measurement_theta_max      70.3020

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_F_000             580
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.6426
_exptl_crystal_size_mid          0.0698
_exptl_crystal_size_min          0.0199
_exptl_absorpt_coefficient_mu    7.317
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.398
_exptl_absorpt_correction_T_max  0.931
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.5953
_diffrn_reflns_number            7581
_diffrn_reflns_av_unetI/netI     0.0822
_diffrn_reflns_av_R_equivalents  0.0744
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         4.532
_diffrn_reflns_theta_max         70.648
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             4340
_reflns_number_gt                3533
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.1158P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4340
_refine_ls_number_parameters     322
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0629
_refine_ls_wR_factor_ref         0.1824
_refine_ls_wR_factor_gt          0.1642
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.043
_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
C1 C 0.3275(7) 0.5056(6) 0.2996(3) 0.0363(10) Uani 1 1 d . . . . .
C2 C 0.3303(7) 0.5792(7) 0.3692(3) 0.0370(10) Uani 1 1 d . . . . .
C3 C 0.2758(7) 0.4849(8) 0.4287(3) 0.0428(12) Uani 1 1 d . . . . .
C4 C 0.2154(8) 0.3236(8) 0.4276(4) 0.0532(15) Uani 1 1 d . . . . .
H4 H 0.209578 0.272689 0.386101 0.064 Uiso 1 1 calc R U . . .
C5 C 0.1656(10) 0.2424(10) 0.4874(5) 0.070(2) Uani 1 1 d . . . . .
H5 H 0.127416 0.135462 0.486378 0.084 Uiso 1 1 calc R U . . .
C6 C 0.1708(11) 0.3178(12) 0.5510(4) 0.076(2) Uani 1 1 d . . . . .
H6 H 0.138163 0.259942 0.591376 0.091 Uiso 1 1 calc R U . . .
C7 C 0.2235(10) 0.4751(12) 0.5531(4) 0.067(2) Uani 1 1 d . . . . .
H7 H 0.222967 0.524846 0.595038 0.080 Uiso 1 1 calc R U . . .
C8 C 0.2788(7) 0.5639(9) 0.4930(3) 0.0500(14) Uani 1 1 d . . . . .
C9 C 0.3345(9) 0.7266(10) 0.4913(3) 0.0583(17) Uani 1 1 d . . . . .
H9 H 0.335505 0.781415 0.532075 0.070 Uiso 1 1 calc R U . . .
C10 C 0.3859(9) 0.8040(9) 0.4325(3) 0.0527(14) Uani 1 1 d . . . . .
H10 H 0.426258 0.910354 0.433240 0.063 Uiso 1 1 calc R U . . .
C11 C 0.1855(9) 0.5297(8) 0.1887(3) 0.0480(13) Uani 1 1 d . . . . .
H11A H 0.292024 0.468106 0.171681 0.058 Uiso 1 1 calc R U . . .
H11B H 0.171131 0.624630 0.158428 0.058 Uiso 1 1 calc R U . . .
C12 C 0.0178(9) 0.4252(7) 0.1867(3) 0.0494(14) Uani 1 1 d . . . . .
H12A H -0.006101 0.408804 0.139134 0.059 Uiso 1 1 calc R U . . .
H12B H 0.044778 0.319284 0.207672 0.059 Uiso 1 1 calc R U . . .
C13 C -0.1540(9) 0.4949(7) 0.2223(3) 0.0478(13) Uani 1 1 d . . . . .
H13A H -0.255116 0.424205 0.215430 0.057 Uiso 1 1 calc R U . . .
H13B H -0.137276 0.495685 0.271174 0.057 Uiso 1 1 calc R U . . .
C14 C -0.3032(7) 0.6909(6) 0.1447(3) 0.0390(11) Uani 1 1 d . . . . .
C15 C -0.3320(7) 0.8695(6) 0.1268(3) 0.0364(11) Uani 1 1 d . . . . .
C16 C -0.2884(7) 0.9313(6) 0.0599(3) 0.0376(11) Uani 1 1 d . . . . .
C17 C -0.2092(8) 0.8367(8) 0.0065(3) 0.0460(13) Uani 1 1 d . . . . .
H17 H -0.182354 0.726812 0.014672 0.055 Uiso 1 1 calc R U . . .
C18 C -0.1724(9) 0.9060(9) -0.0567(3) 0.0553(15) Uani 1 1 d . . . . .
H18 H -0.120039 0.842628 -0.091342 0.066 Uiso 1 1 calc R U . . .
C19 C -0.2115(9) 1.0701(9) -0.0708(3) 0.0541(15) Uani 1 1 d . . . . .
H19 H -0.187120 1.114405 -0.114678 0.065 Uiso 1 1 calc R U . . .
C20 C -0.2853(9) 1.1660(8) -0.0205(4) 0.0530(15) Uani 1 1 d . . . . .
H20 H -0.310949 1.275401 -0.030287 0.064 Uiso 1 1 calc R U . . .
C21 C -0.3228(7) 1.1008(6) 0.0457(3) 0.0391(11) Uani 1 1 d . . . . .
C22 C -0.3983(8) 1.1942(7) 0.1005(3) 0.0461(13) Uani 1 1 d . . . . .
H22 H -0.421443 1.305170 0.093802 0.055 Uiso 1 1 calc R U . . .
C23 C -0.4362(9) 1.1214(7) 0.1622(3) 0.0470(13) Uani 1 1 d . . . . .
H23 H -0.487061 1.184398 0.197238 0.056 Uiso 1 1 calc R U . . .
Ag1 Ag 0.49397(6) 0.86960(5) 0.27918(2) 0.0503(2) Uani 1 1 d . . . . .
N1 N 0.2172(7) 0.5832(6) 0.2571(3) 0.0443(10) Uani 1 1 d . . . . .
H1 H 0.161224 0.670248 0.270841 0.053 Uiso 1 1 calc R U . . .
N2 N 0.3804(7) 0.7295(6) 0.3708(2) 0.0420(10) Uani 1 1 d . . . . .
N3 N -0.2017(7) 0.6588(6) 0.1984(3) 0.0462(11) Uani 1 1 d . . . . .
H3 H -0.162540 0.739349 0.219835 0.055 Uiso 1 1 calc R U . . .
N4 N -0.4040(6) 0.9601(6) 0.1759(2) 0.0390(9) Uani 1 1 d . . . . .
O1 O 0.4194(7) 0.3834(6) 0.2856(2) 0.0542(10) Uani 1 1 d . . . . .
O2 O -0.3693(8) 0.5871(5) 0.1103(3) 0.0598(12) Uani 1 1 d . . . . .
O1W O 0.5921(7) 1.1098(6) 0.3491(3) 0.0550(10) Uani 1 1 d D . . . .
H1W H 0.707(4) 1.094(10) 0.340(5) 0.083 Uiso 1 1 d D U . . .
H2W H 0.559(10) 1.207(5) 0.338(5) 0.083 Uiso 1 1 d D U . . .
N5 N 0.0303(8) 0.9931(7) 0.2861(3) 0.0555(13) Uani 1 1 d . . . . .
O3 O -0.0448(9) 0.8609(6) 0.2966(3) 0.0700(14) Uani 1 1 d . . . . .
O4 O 0.1623(10) 0.9994(11) 0.2437(4) 0.110(3) Uani 1 1 d . . . . .
O5 O -0.0291(10) 1.1146(8) 0.3141(5) 0.098(2) 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
C1 O1 1.228(7) . ?
C1 N1 1.328(7) . ?
C1 C2 1.510(8) . ?
C2 N2 1.299(7) . ?
C2 C3 1.418(8) . ?
C3 C4 1.409(9) . ?
C3 C8 1.437(9) . ?
C4 C5 1.362(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.411(14) . ?
C5 H5 0.9300 . ?
C6 C7 1.361(14) . ?
C6 H6 0.9300 . ?
C7 C8 1.405(10) . ?
C7 H7 0.9300 . ?
C8 C9 1.406(11) . ?
C9 C10 1.334(10) . ?
C9 H9 0.9300 . ?
C10 N2 1.376(8) . ?
C10 H10 0.9300 . ?
C11 N1 1.456(8) . ?
C11 C12 1.519(9) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.516(9) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 N3 1.451(8) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 O2 1.229(7) . ?
C14 N3 1.335(8) . ?
C14 C15 1.509(8) . ?
C15 N4 1.316(7) . ?
C15 C16 1.409(8) . ?
C16 C17 1.416(8) . ?
C16 C21 1.430(8) . ?
C17 C18 1.358(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.393(11) . ?
C18 H18 0.9300 . ?
C19 C20 1.363(10) . ?
C19 H19 0.9300 . ?
C20 C21 1.399(9) . ?
C20 H20 0.9300 . ?
C21 C22 1.421(9) . ?
C22 C23 1.344(9) . ?
C22 H22 0.9300 . ?
C23 N4 1.361(8) . ?
C23 H23 0.9300 . ?
Ag1 N4 2.224(4) 1_655 ?
Ag1 N2 2.227(5) . ?
Ag1 O1W 2.579(5) . ?
N1 H1 0.8600 . ?
N3 H3 0.8600 . ?
O1W H1W 0.86(2) . ?
O1W H2W 0.85(2) . ?
N5 O5 1.216(9) . ?
N5 O3 1.234(8) . ?
N5 O4 1.240(9) . ?

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
O1 C1 N1 124.5(5) . . ?
O1 C1 C2 121.3(5) . . ?
N1 C1 C2 114.2(5) . . ?
N2 C2 C3 123.3(5) . . ?
N2 C2 C1 117.1(5) . . ?
C3 C2 C1 119.6(5) . . ?
C4 C3 C2 123.9(6) . . ?
C4 C3 C8 119.5(6) . . ?
C2 C3 C8 116.5(5) . . ?
C5 C4 C3 119.8(7) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 121.2(8) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C7 C6 C5 120.0(7) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C7 C8 121.3(8) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 H7 119.4 . . ?
C7 C8 C9 124.3(7) . . ?
C7 C8 C3 118.2(7) . . ?
C9 C8 C3 117.4(5) . . ?
C10 C9 C8 121.4(6) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C9 C10 N2 121.2(6) . . ?
C9 C10 H10 119.4 . . ?
N2 C10 H10 119.4 . . ?
N1 C11 C12 113.1(5) . . ?
N1 C11 H11A 108.9 . . ?
C12 C11 H11A 108.9 . . ?
N1 C11 H11B 108.9 . . ?
C12 C11 H11B 108.9 . . ?
H11A C11 H11B 107.8 . . ?
C13 C12 C11 114.8(5) . . ?
C13 C12 H12A 108.6 . . ?
C11 C12 H12A 108.6 . . ?
C13 C12 H12B 108.6 . . ?
C11 C12 H12B 108.6 . . ?
H12A C12 H12B 107.5 . . ?
N3 C13 C12 113.7(5) . . ?
N3 C13 H13A 108.8 . . ?
C12 C13 H13A 108.8 . . ?
N3 C13 H13B 108.8 . . ?
C12 C13 H13B 108.8 . . ?
H13A C13 H13B 107.7 . . ?
O2 C14 N3 124.7(5) . . ?
O2 C14 C15 120.3(5) . . ?
N3 C14 C15 115.0(5) . . ?
N4 C15 C16 122.9(5) . . ?
N4 C15 C14 116.6(5) . . ?
C16 C15 C14 120.4(5) . . ?
C15 C16 C17 124.0(5) . . ?
C15 C16 C21 117.9(5) . . ?
C17 C16 C21 118.2(5) . . ?
C18 C17 C16 120.1(6) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C19 121.4(6) . . ?
C17 C18 H18 119.3 . . ?
C19 C18 H18 119.3 . . ?
C20 C19 C18 120.3(6) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 120.4(6) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C20 C21 C22 123.3(5) . . ?
C20 C21 C16 119.5(5) . . ?
C22 C21 C16 117.2(5) . . ?
C23 C22 C21 119.7(5) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C22 C23 N4 123.3(5) . . ?
C22 C23 H23 118.4 . . ?
N4 C23 H23 118.4 . . ?
N4 Ag1 N2 167.48(17) 1_655 . ?
N4 Ag1 O1W 98.42(16) 1_655 . ?
N2 Ag1 O1W 93.99(17) . . ?
C1 N1 C11 123.9(5) . . ?
C1 N1 H1 118.1 . . ?
C11 N1 H1 118.1 . . ?
C2 N2 C10 120.1(5) . . ?
C2 N2 Ag1 123.4(4) . . ?
C10 N2 Ag1 116.1(4) . . ?
C14 N3 C13 123.4(5) . . ?
C14 N3 H3 118.3 . . ?
C13 N3 H3 118.3 . . ?
C15 N4 C23 119.1(5) . . ?
C15 N4 Ag1 125.6(4) . 1_455 ?
C23 N4 Ag1 115.0(4) . 1_455 ?
Ag1 O1W H1W 95(7) . . ?
Ag1 O1W H2W 120(7) . . ?
H1W O1W H2W 111(4) . . ?
O5 N5 O3 120.9(6) . . ?
O5 N5 O4 121.2(7) . . ?
O3 N5 O4 117.8(7) . . ?

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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 N2 121.5(6) . . . . ?
N1 C1 C2 N2 -59.3(6) . . . . ?
O1 C1 C2 C3 -59.8(7) . . . . ?
N1 C1 C2 C3 119.4(5) . . . . ?
N2 C2 C3 C4 177.8(5) . . . . ?
C1 C2 C3 C4 -0.8(8) . . . . ?
N2 C2 C3 C8 -0.2(8) . . . . ?
C1 C2 C3 C8 -178.9(5) . . . . ?
C2 C3 C4 C5 -179.9(6) . . . . ?
C8 C3 C4 C5 -1.9(9) . . . . ?
C3 C4 C5 C6 0.9(10) . . . . ?
C4 C5 C6 C7 1.1(12) . . . . ?
C5 C6 C7 C8 -1.9(12) . . . . ?
C6 C7 C8 C9 179.9(7) . . . . ?
C6 C7 C8 C3 0.9(10) . . . . ?
C4 C3 C8 C7 1.1(8) . . . . ?
C2 C3 C8 C7 179.2(5) . . . . ?
C4 C3 C8 C9 -178.0(6) . . . . ?
C2 C3 C8 C9 0.2(8) . . . . ?
C7 C8 C9 C10 179.8(7) . . . . ?
C3 C8 C9 C10 -1.2(9) . . . . ?
C8 C9 C10 N2 2.3(10) . . . . ?
N1 C11 C12 C13 49.3(7) . . . . ?
C11 C12 C13 N3 54.4(7) . . . . ?
O2 C14 C15 N4 124.8(6) . . . . ?
N3 C14 C15 N4 -56.0(7) . . . . ?
O2 C14 C15 C16 -53.1(8) . . . . ?
N3 C14 C15 C16 126.1(5) . . . . ?
N4 C15 C16 C17 179.3(5) . . . . ?
C14 C15 C16 C17 -2.9(8) . . . . ?
N4 C15 C16 C21 0.8(7) . . . . ?
C14 C15 C16 C21 178.5(4) . . . . ?
C15 C16 C17 C18 179.7(5) . . . . ?
C21 C16 C17 C18 -1.8(8) . . . . ?
C16 C17 C18 C19 -0.2(10) . . . . ?
C17 C18 C19 C20 1.2(10) . . . . ?
C18 C19 C20 C21 0.0(10) . . . . ?
C19 C20 C21 C22 179.5(6) . . . . ?
C19 C20 C21 C16 -1.9(9) . . . . ?
C15 C16 C21 C20 -178.5(5) . . . . ?
C17 C16 C21 C20 2.8(8) . . . . ?
C15 C16 C21 C22 0.1(7) . . . . ?
C17 C16 C21 C22 -178.5(5) . . . . ?
C20 C21 C22 C23 177.7(6) . . . . ?
C16 C21 C22 C23 -0.8(8) . . . . ?
C21 C22 C23 N4 0.8(9) . . . . ?
O1 C1 N1 C11 2.4(9) . . . . ?
C2 C1 N1 C11 -176.8(5) . . . . ?
C12 C11 N1 C1 94.4(7) . . . . ?
C3 C2 N2 C10 1.3(8) . . . . ?
C1 C2 N2 C10 180.0(5) . . . . ?
C3 C2 N2 Ag1 173.3(4) . . . . ?
C1 C2 N2 Ag1 -8.1(7) . . . . ?
C9 C10 N2 C2 -2.3(9) . . . . ?
C9 C10 N2 Ag1 -174.9(5) . . . . ?
O2 C14 N3 C13 1.0(10) . . . . ?
C15 C14 N3 C13 -178.2(5) . . . . ?
C12 C13 N3 C14 87.0(7) . . . . ?
C16 C15 N4 C23 -0.9(8) . . . . ?
C14 C15 N4 C23 -178.7(5) . . . . ?
C16 C15 N4 Ag1 172.7(4) . . . 1_455 ?
C14 C15 N4 Ag1 -5.1(7) . . . 1_455 ?
C22 C23 N4 C15 0.1(9) . . . . ?
C22 C23 N4 Ag1 -174.2(5) . . . 1_455 ?

_refine_diff_density_max         1.341
_refine_diff_density_min         -1.531
_refine_diff_density_rms         0.132

####################################################################### 
# 
# 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_compound_C2Me_Ag_CF3COO_1(prime)c
_database_code_depnum_ccdc_archive 'CCDC 1869699'
loop_
_audit_author_name
_audit_author_address
'Jorge Pasan'
;University of La Laguna
Spain
;
_audit_update_record             
;
2019-03-11 deposited with the CCDC.	2019-10-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H22 N4 O2 Ag, C2 O2 F3, 4(H2 O)'
_chemical_formula_sum            'C26 H30 Ag F3 N4 O8'
_chemical_formula_weight         691.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   8.7388(3)
_cell_length_b                   11.7437(4)
_cell_length_c                   15.1730(4)
_cell_angle_alpha                89.580(3)
_cell_angle_beta                 74.494(3)
_cell_angle_gamma                80.378(3)
_cell_volume                     1478.21(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    11213
_cell_measurement_theta_min      2.8970
_cell_measurement_theta_max      73.1770

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_F_000             704
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.291
_exptl_crystal_size_mid          0.179
_exptl_crystal_size_min          0.178
_exptl_absorpt_coefficient_mu    6.112
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.279
_exptl_absorpt_correction_T_max  0.463
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
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_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Atlas
_diffrn_detector_area_resol_mean 10.5953
_diffrn_reflns_number            37075
_diffrn_reflns_av_unetI/netI     0.0444
_diffrn_reflns_av_R_equivalents  0.0790
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.025
_diffrn_reflns_theta_max         73.945
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5893
_reflns_number_gt                4702
_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       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0886P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5893
_refine_ls_number_parameters     469
_refine_ls_number_restraints     91
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0486
_refine_ls_wR_factor_ref         0.1495
_refine_ls_wR_factor_gt          0.1386
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.002
_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 0.31969(4) 0.50965(3) 0.25549(2) 0.07166(15) Uani 1 1 d . . . . .
C1 C 0.2285(5) 0.3040(3) 0.1593(2) 0.0595(9) Uani 1 1 d . . . . .
C2 C 0.1010(5) 0.4082(4) 0.1602(2) 0.0603(9) Uani 1 1 d . . . . .
C3 C -0.0225(5) 0.4035(4) 0.1174(3) 0.0660(10) Uani 1 1 d . . . . .
C4 C -0.0383(6) 0.3012(5) 0.0748(3) 0.0771(12) Uani 1 1 d . . . . .
H4 H 0.032665 0.232677 0.074769 0.093 Uiso 1 1 calc R U . . .
C5 C -0.1607(7) 0.3052(6) 0.0334(3) 0.0933(17) Uani 1 1 d . . . . .
H5 H -0.170058 0.238718 0.003699 0.112 Uiso 1 1 calc R U . . .
C6 C -0.2702(7) 0.4046(7) 0.0345(4) 0.0988(19) Uani 1 1 d . . . . .
H6 H -0.354667 0.403455 0.008174 0.119 Uiso 1 1 calc R U . . .
C7 C -0.2557(6) 0.5033(6) 0.0734(4) 0.0893(15) Uani 1 1 d . . . . .
H7 H -0.329468 0.570058 0.072584 0.107 Uiso 1 1 calc R U . . .
C8 C -0.1312(6) 0.5076(4) 0.1152(3) 0.0725(11) Uani 1 1 d . . . . .
C9 C -0.1076(6) 0.6077(4) 0.1563(3) 0.0787(12) Uani 1 1 d . . . . .
H9 H -0.177693 0.676966 0.157511 0.094 Uiso 1 1 calc R U . . .
C10 C 0.0163(6) 0.6036(4) 0.1937(3) 0.0761(12) Uani 1 1 d . . . . .
H10 H 0.030940 0.671539 0.218982 0.091 Uiso 1 1 calc R U . . .
C11 C 0.0366(6) 0.2295(5) 0.2868(3) 0.0793(12) Uani 1 1 d . . . . .
H11A H -0.034495 0.297875 0.278322 0.119 Uiso 1 1 calc R U . . .
H11B H 0.053374 0.233430 0.346663 0.119 Uiso 1 1 calc R U . . .
H11C H -0.010576 0.162716 0.281055 0.119 Uiso 1 1 calc R U . . .
C12 C 0.3067(6) 0.1161(3) 0.2162(3) 0.0676(10) Uani 1 1 d . . . . .
H12A H 0.393061 0.111824 0.160088 0.081 Uiso 1 1 calc R U . . .
H12B H 0.254092 0.049704 0.215499 0.081 Uiso 1 1 calc R U . . .
C13 C 0.3790(6) 0.1096(3) 0.2977(3) 0.0679(10) Uani 1 1 d . . . . .
H13A H 0.292803 0.113617 0.353849 0.082 Uiso 1 1 calc R U . . .
H13B H 0.449519 0.035701 0.294500 0.082 Uiso 1 1 calc R U . . .
C14 C 0.6246(6) 0.1971(4) 0.2331(3) 0.0771(12) Uani 1 1 d . . . . .
H14A H 0.669943 0.264095 0.240928 0.116 Uiso 1 1 calc R U . . .
H14B H 0.609526 0.194878 0.172746 0.116 Uiso 1 1 calc R U . . .
H14C H 0.696416 0.128728 0.240829 0.116 Uiso 1 1 calc R U . . .
C15 C 0.4097(5) 0.2884(3) 0.3633(3) 0.0603(9) Uani 1 1 d . . . . .
C16 C 0.5185(5) 0.3733(3) 0.3718(2) 0.0560(8) Uani 1 1 d . . . . .
C17 C 0.6258(5) 0.3492(4) 0.4273(2) 0.0609(9) Uani 1 1 d . . . . .
C18 C 0.6477(6) 0.2438(4) 0.4718(3) 0.0754(11) Uani 1 1 d . . . . .
H18 H 0.589700 0.186177 0.465608 0.090 Uiso 1 1 calc R U . . .
C19 C 0.7534(7) 0.2274(5) 0.5235(4) 0.0900(15) Uani 1 1 d . . . . .
H19 H 0.769122 0.157397 0.551696 0.108 Uiso 1 1 calc R U . . .
C20 C 0.8387(7) 0.3131(6) 0.5352(4) 0.0908(16) Uani 1 1 d . . . . .
H20 H 0.909647 0.300010 0.571687 0.109 Uiso 1 1 calc R U . . .
C21 C 0.8205(6) 0.4144(5) 0.4949(3) 0.0817(13) Uani 1 1 d . . . . .
H21 H 0.878588 0.470833 0.503634 0.098 Uiso 1 1 calc R U . . .
C22 C 0.7134(5) 0.4359(4) 0.4389(3) 0.0630(9) Uani 1 1 d . . . . .
C23 C 0.6879(6) 0.5390(4) 0.3944(3) 0.0722(11) Uani 1 1 d . . . . .
H23 H 0.743763 0.597734 0.400974 0.087 Uiso 1 1 calc R U . . .
C24 C 0.5848(6) 0.5549(4) 0.3426(3) 0.0677(10) Uani 1 1 d . . . . .
H24 H 0.571689 0.624414 0.313496 0.081 Uiso 1 1 calc R U . . .
N1 N 0.1902(4) 0.2213(3) 0.2179(2) 0.0605(7) Uani 1 1 d . . . . .
N2 N 0.1222(5) 0.5042(3) 0.1965(2) 0.0644(8) Uani 1 1 d . . . . .
N3 N 0.4703(4) 0.2024(3) 0.3006(2) 0.0611(7) Uani 1 1 d . . . . .
N4 N 0.4977(4) 0.4717(3) 0.3309(2) 0.0586(7) Uani 1 1 d . . . . .
O1 O 0.3607(4) 0.2993(3) 0.1034(2) 0.0777(8) Uani 1 1 d . . . . .
O2 O 0.2738(4) 0.3032(3) 0.4165(2) 0.0821(9) Uani 1 1 d . . . . .
C1A C -0.046(3) 0.902(3) 0.2866(17) 0.101(10) Uani 0.526(14) 1 d D U P A 1
C2A C -0.1866(19) 0.9061(13) 0.3712(9) 0.079(4) Uani 0.526(14) 1 d D U P A 1
F1A F -0.224(3) 0.8026(10) 0.3702(14) 0.192(11) Uani 0.526(14) 1 d D U P A 1
F2A F -0.3171(16) 0.9782(11) 0.3700(11) 0.128(5) Uani 0.526(14) 1 d D U P A 1
F3A F -0.1592(14) 0.9253(14) 0.4478(5) 0.155(5) Uani 0.526(14) 1 d D . P A 1
O1A O -0.061(3) 0.9564(18) 0.2185(15) 0.093(4) Uani 0.526(14) 1 d D U P A 1
O2A O 0.095(3) 0.884(2) 0.2930(17) 0.099(5) Uani 0.526(14) 1 d D U P A 1
C1B C -0.042(2) 0.910(2) 0.2808(16) 0.065(6) Uani 0.474(14) 1 d D U P A 2
C2B C -0.201(2) 0.8882(13) 0.3452(11) 0.084(5) Uani 0.474(14) 1 d D U P A 2
F1B F -0.3105(13) 0.8595(15) 0.3101(9) 0.155(6) Uani 0.474(14) 1 d D . P A 2
F2B F -0.266(3) 0.9877(13) 0.3899(14) 0.179(10) Uani 0.474(14) 1 d D U P A 2
F3B F -0.184(2) 0.8138(15) 0.4079(14) 0.158(10) Uani 0.474(14) 1 d D U P A 2
O1B O -0.072(5) 0.921(2) 0.2062(18) 0.106(6) Uani 0.474(14) 1 d D U P A 2
O2B O 0.072(3) 0.875(3) 0.314(2) 0.118(8) Uani 0.474(14) 1 d D U P A 2
O1W O 0.3540(6) 0.7176(3) 0.2258(3) 0.0995(12) Uani 1 1 d D . . . .
H1WA H 0.403(9) 0.741(7) 0.176(3) 0.149 Uiso 1 1 d D U . . .
H1WB H 0.269(6) 0.764(6) 0.251(6) 0.149 Uiso 1 1 d D U . . .
O2W O 0.4942(6) 0.8213(5) 0.0658(3) 0.1062(13) Uani 1 1 d D . . . .
H2WA H 0.534(10) 0.777(7) 0.019(4) 0.159 Uiso 1 1 d D U . . .
H2WB H 0.576(7) 0.838(8) 0.079(6) 0.159 Uiso 1 1 d D U . . .
O3W O -0.2709(8) 0.9245(6) 0.0973(4) 0.1313(17) Uani 1 1 d D . . . .
H3WA H -0.278(12) 0.970(8) 0.054(5) 0.197 Uiso 1 1 d D U . . .
H3WB H -0.185(8) 0.924(9) 0.114(7) 0.197 Uiso 1 1 d D U . . .
O4W O -0.1949(7) 0.0369(5) -0.0627(3) 0.1224(16) Uani 1 1 d D . . . .
H4WA H -0.103(5) 0.056(8) -0.081(7) 0.184 Uiso 1 1 d D U . . .
H4WB H -0.271(7) 0.084(7) -0.075(7) 0.184 Uiso 1 1 d D U . . .


_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 N4 2.154(3) . ?
Ag1 N2 2.156(4) . ?
Ag1 O1W 2.533(4) . ?
C1 O1 1.230(5) . ?
C1 N1 1.335(5) . ?
C1 C2 1.508(6) . ?
C2 N2 1.320(5) . ?
C2 C3 1.409(6) . ?
C3 C4 1.412(7) . ?
C3 C8 1.424(7) . ?
C4 C5 1.372(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.378(10) . ?
C5 H5 0.9300 . ?
C6 C7 1.344(9) . ?
C6 H6 0.9300 . ?
C7 C8 1.407(7) . ?
C7 H7 0.9300 . ?
C8 C9 1.405(7) . ?
C9 C10 1.345(7) . ?
C9 H9 0.9300 . ?
C10 N2 1.370(6) . ?
C10 H10 0.9300 . ?
C11 N1 1.454(6) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 N1 1.459(5) . ?
C12 C13 1.528(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 N3 1.462(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 N3 1.451(6) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 O2 1.230(5) . ?
C15 N3 1.331(5) . ?
C15 C16 1.516(6) . ?
C16 N4 1.317(5) . ?
C16 C17 1.413(6) . ?
C17 C22 1.411(6) . ?
C17 C18 1.415(6) . ?
C18 C19 1.354(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.387(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.339(8) . ?
C20 H20 0.9300 . ?
C21 C22 1.415(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.396(7) . ?
C23 C24 1.336(7) . ?
C23 H23 0.9300 . ?
C24 N4 1.374(5) . ?
C24 H24 0.9300 . ?
C1A O1A 1.235(17) . ?
C1A O2A 1.239(17) . ?
C1A C2A 1.518(17) . ?
C2A F3A 1.276(14) . ?
C2A F2A 1.306(14) . ?
C2A F1A 1.313(15) . ?
C1B O1B 1.233(17) . ?
C1B O2B 1.237(16) . ?
C1B C2B 1.530(16) . ?
C2B F1B 1.304(16) . ?
C2B F3B 1.307(15) . ?
C2B F2B 1.316(15) . ?
O1W H1WA 0.83(2) . ?
O1W H1WB 0.85(2) . ?
O2W H2WA 0.85(2) . ?
O2W H2WB 0.85(2) . ?
O3W H3WA 0.85(2) . ?
O3W H3WB 0.85(2) . ?
O4W H4WA 0.84(2) . ?
O4W H4WB 0.85(2) . ?

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
N4 Ag1 N2 164.11(13) . . ?
N4 Ag1 O1W 96.29(15) . . ?
N2 Ag1 O1W 99.04(15) . . ?
O1 C1 N1 123.9(4) . . ?
O1 C1 C2 117.9(4) . . ?
N1 C1 C2 118.1(3) . . ?
N2 C2 C3 123.3(4) . . ?
N2 C2 C1 115.3(4) . . ?
C3 C2 C1 121.2(4) . . ?
C2 C3 C4 122.5(4) . . ?
C2 C3 C8 117.8(4) . . ?
C4 C3 C8 119.7(4) . . ?
C5 C4 C3 118.5(5) . . ?
C5 C4 H4 120.8 . . ?
C3 C4 H4 120.8 . . ?
C4 C5 C6 122.0(6) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C7 C6 C5 120.4(5) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C6 C7 C8 121.3(6) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 H7 119.4 . . ?
C9 C8 C7 124.4(5) . . ?
C9 C8 C3 117.5(4) . . ?
C7 C8 C3 118.1(5) . . ?
C10 C9 C8 120.1(4) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 N2 123.3(5) . . ?
C9 C10 H10 118.4 . . ?
N2 C10 H10 118.4 . . ?
N1 C11 H11A 109.5 . . ?
N1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 C13 113.3(3) . . ?
N1 C12 H12A 108.9 . . ?
C13 C12 H12A 108.9 . . ?
N1 C12 H12B 108.9 . . ?
C13 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
N3 C13 C12 112.7(3) . . ?
N3 C13 H13A 109.1 . . ?
C12 C13 H13A 109.1 . . ?
N3 C13 H13B 109.1 . . ?
C12 C13 H13B 109.1 . . ?
H13A C13 H13B 107.8 . . ?
N3 C14 H14A 109.5 . . ?
N3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O2 C15 N3 125.4(4) . . ?
O2 C15 C16 117.1(3) . . ?
N3 C15 C16 117.4(4) . . ?
N4 C16 C17 123.2(4) . . ?
N4 C16 C15 116.3(3) . . ?
C17 C16 C15 120.3(3) . . ?
C22 C17 C16 117.6(4) . . ?
C22 C17 C18 119.0(4) . . ?
C16 C17 C18 123.3(4) . . ?
C19 C18 C17 119.7(5) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C18 C19 C20 121.1(5) . . ?
C18 C19 H19 119.5 . . ?
C20 C19 H19 119.5 . . ?
C21 C20 C19 121.1(5) . . ?
C21 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
C20 C21 C22 120.3(5) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C23 C22 C17 117.4(4) . . ?
C23 C22 C21 123.8(4) . . ?
C17 C22 C21 118.7(4) . . ?
C24 C23 C22 121.4(4) . . ?
C24 C23 H23 119.3 . . ?
C22 C23 H23 119.3 . . ?
C23 C24 N4 122.0(4) . . ?
C23 C24 H24 119.0 . . ?
N4 C24 H24 119.0 . . ?
C1 N1 C11 123.7(4) . . ?
C1 N1 C12 120.1(3) . . ?
C11 N1 C12 116.2(4) . . ?
C2 N2 C10 118.0(4) . . ?
C2 N2 Ag1 122.2(3) . . ?
C10 N2 Ag1 119.7(3) . . ?
C15 N3 C14 122.5(4) . . ?
C15 N3 C13 119.7(4) . . ?
C14 N3 C13 117.8(3) . . ?
C16 N4 C24 118.4(4) . . ?
C16 N4 Ag1 121.8(3) . . ?
C24 N4 Ag1 119.6(3) . . ?
O1A C1A O2A 113(2) . . ?
O1A C1A C2A 121(3) . . ?
O2A C1A C2A 121(2) . . ?
F3A C2A F2A 106.1(11) . . ?
F3A C2A F1A 109.0(13) . . ?
F2A C2A F1A 105.6(13) . . ?
F3A C2A C1A 116.6(17) . . ?
F2A C2A C1A 115.7(17) . . ?
F1A C2A C1A 103.2(18) . . ?
O1B C1B O2B 141(3) . . ?
O1B C1B C2B 103(2) . . ?
O2B C1B C2B 110(2) . . ?
F1B C2B F3B 106.6(13) . . ?
F1B C2B F2B 105.8(14) . . ?
F3B C2B F2B 105.5(13) . . ?
F1B C2B C1B 118.9(14) . . ?
F3B C2B C1B 114.0(17) . . ?
F2B C2B C1B 104.9(18) . . ?
Ag1 O1W H1WA 124(6) . . ?
Ag1 O1W H1WB 112(6) . . ?
H1WA O1W H1WB 111(8) . . ?
H2WA O2W H2WB 104(8) . . ?
H3WA O3W H3WB 113(4) . . ?
H4WA O4W H4WB 114(4) . . ?

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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 N2 -74.5(5) . . . . ?
N1 C1 C2 N2 106.9(4) . . . . ?
O1 C1 C2 C3 100.0(5) . . . . ?
N1 C1 C2 C3 -78.6(5) . . . . ?
N2 C2 C3 C4 176.7(4) . . . . ?
C1 C2 C3 C4 2.6(6) . . . . ?
N2 C2 C3 C8 -1.3(6) . . . . ?
C1 C2 C3 C8 -175.4(3) . . . . ?
C2 C3 C4 C5 -178.9(4) . . . . ?
C8 C3 C4 C5 -1.0(6) . . . . ?
C3 C4 C5 C6 -1.8(8) . . . . ?
C4 C5 C6 C7 2.9(8) . . . . ?
C5 C6 C7 C8 -1.2(8) . . . . ?
C6 C7 C8 C9 179.3(5) . . . . ?
C6 C7 C8 C3 -1.5(7) . . . . ?
C2 C3 C8 C9 -0.1(6) . . . . ?
C4 C3 C8 C9 -178.2(4) . . . . ?
C2 C3 C8 C7 -179.4(4) . . . . ?
C4 C3 C8 C7 2.6(6) . . . . ?
C7 C8 C9 C10 -179.2(5) . . . . ?
C3 C8 C9 C10 1.6(7) . . . . ?
C8 C9 C10 N2 -1.7(7) . . . . ?
N1 C12 C13 N3 -62.5(5) . . . . ?
O2 C15 C16 N4 -82.4(5) . . . . ?
N3 C15 C16 N4 99.4(4) . . . . ?
O2 C15 C16 C17 92.7(5) . . . . ?
N3 C15 C16 C17 -85.5(4) . . . . ?
N4 C16 C17 C22 0.2(6) . . . . ?
C15 C16 C17 C22 -174.5(3) . . . . ?
N4 C16 C17 C18 179.6(4) . . . . ?
C15 C16 C17 C18 4.8(6) . . . . ?
C22 C17 C18 C19 -0.9(7) . . . . ?
C16 C17 C18 C19 179.7(4) . . . . ?
C17 C18 C19 C20 1.3(8) . . . . ?
C18 C19 C20 C21 -0.8(9) . . . . ?
C19 C20 C21 C22 -0.1(8) . . . . ?
C16 C17 C22 C23 -0.2(6) . . . . ?
C18 C17 C22 C23 -179.6(4) . . . . ?
C16 C17 C22 C21 179.4(4) . . . . ?
C18 C17 C22 C21 0.0(6) . . . . ?
C20 C21 C22 C23 -179.9(5) . . . . ?
C20 C21 C22 C17 0.5(7) . . . . ?
C17 C22 C23 C24 -0.2(6) . . . . ?
C21 C22 C23 C24 -179.8(4) . . . . ?
C22 C23 C24 N4 0.6(7) . . . . ?
O1 C1 N1 C11 177.0(4) . . . . ?
C2 C1 N1 C11 -4.5(6) . . . . ?
O1 C1 N1 C12 -1.9(6) . . . . ?
C2 C1 N1 C12 176.7(3) . . . . ?
C13 C12 N1 C1 107.6(4) . . . . ?
C13 C12 N1 C11 -71.3(5) . . . . ?
C3 C2 N2 C10 1.3(6) . . . . ?
C1 C2 N2 C10 175.7(4) . . . . ?
C3 C2 N2 Ag1 -176.9(3) . . . . ?
C1 C2 N2 Ag1 -2.5(5) . . . . ?
C9 C10 N2 C2 0.2(7) . . . . ?
C9 C10 N2 Ag1 178.5(4) . . . . ?
O2 C15 N3 C14 172.9(5) . . . . ?
C16 C15 N3 C14 -9.1(6) . . . . ?
O2 C15 N3 C13 -6.3(6) . . . . ?
C16 C15 N3 C13 171.8(3) . . . . ?
C12 C13 N3 C15 107.2(4) . . . . ?
C12 C13 N3 C14 -71.9(5) . . . . ?
C17 C16 N4 C24 0.2(6) . . . . ?
C15 C16 N4 C24 175.1(3) . . . . ?
C17 C16 N4 Ag1 -175.2(3) . . . . ?
C15 C16 N4 Ag1 -0.3(4) . . . . ?
C23 C24 N4 C16 -0.6(6) . . . . ?
C23 C24 N4 Ag1 174.9(3) . . . . ?
O1A C1A C2A F3A -132(3) . . . . ?
O2A C1A C2A F3A 20(4) . . . . ?
O1A C1A C2A F2A -6(4) . . . . ?
O2A C1A C2A F2A 146(3) . . . . ?
O1A C1A C2A F1A 109(3) . . . . ?
O2A C1A C2A F1A -99(3) . . . . ?
O1B C1B C2B F1B 16(3) . . . . ?
O2B C1B C2B F1B -144(3) . . . . ?
O1B C1B C2B F3B 143(2) . . . . ?
O2B C1B C2B F3B -17(3) . . . . ?
O1B C1B C2B F2B -102(2) . . . . ?
O2B C1B C2B F2B 98(3) . . . . ?

_refine_diff_density_max         0.566
_refine_diff_density_min         -0.716
_refine_diff_density_rms         0.083

