# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 1506803'
_audit_update_record             
;
2016-09-27 deposited with the CCDC.
2017-07-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H13 Ag Cl3 N7 O2'
_chemical_formula_weight         573.57

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   9.355(5)
_cell_length_b                   9.509(5)
_cell_length_c                   13.743(7)
_cell_angle_alpha                76.120(7)
_cell_angle_beta                 84.113(8)
_cell_angle_gamma                66.219(7)
_cell_volume                     1086.1(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3308
_cell_measurement_theta_min      1.50
_cell_measurement_theta_max      25.0

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_F_000             568
_exptl_transmission_factor_min   0.6464
_exptl_transmission_factor_max   0.6914
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    1.328
_shelx_estimated_absorpt_T_min   0.646
_shelx_estimated_absorpt_T_max   0.691
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            5689
_diffrn_reflns_av_unetI/netI     0.0244
_diffrn_reflns_av_R_equivalents  0.0125
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.526
_diffrn_reflns_theta_max         25.341
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             3934
_reflns_number_gt                3508
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0545P)²+2.1625P] 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         3934
_refine_ls_number_parameters     280
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0430
_refine_ls_wR_factor_ref         0.1127
_refine_ls_wR_factor_gt          0.1088
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.065
_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 0.60260(4) 0.88188(4) 0.59765(2) 0.04622(14) Uani 1 1 d . U . . .
Cl1 Cl 0.5231(3) 0.7982(3) -0.00450(18) 0.1159(7) Uani 1 1 d . . . . .
Cl2 Cl 0.4078(3) 0.6077(3) 0.14570(18) 0.1289(9) Uani 1 1 d . . . . .
Cl3 Cl 0.7340(3) 0.5159(4) 0.1212(2) 0.1577(13) Uani 1 1 d . . . . .
O1 O 0.4761(6) 0.9967(7) 0.7503(3) 0.0959(14) Uani 1 1 d . U . . .
O2 O 0.5663(7) 1.1290(5) 0.6434(4) 0.0952(14) Uani 1 1 d . U . . .
N1 N 1.2081(4) 0.3681(4) 0.3018(3) 0.0462(8) Uani 1 1 d . . . . .
N2 N 0.8459(4) 0.7232(4) 0.4297(2) 0.0400(8) Uani 1 1 d . . . . .
N3 N 0.7696(4) 0.8648(4) 0.4594(2) 0.0394(7) Uani 1 1 d . . . . .
N4 N 0.8942(4) 0.9090(3) 0.3196(2) 0.0329(7) Uani 1 1 d . . . . .
N5 N 0.5928(4) 1.2236(4) 0.3981(3) 0.0400(7) Uani 1 1 d . . . . .
N6 N 1.0454(6) 1.1444(5) 0.0571(3) 0.0677(12) Uani 1 1 d . . . . .
N7 N 0.4955(7) 1.1203(7) 0.7222(5) 0.0862(17) Uani 1 1 d . . . . .
C1 C 1.1195(5) 0.4895(4) 0.3432(3) 0.0390(9) Uani 1 1 d . . . . .
H1 H 1.1278 0.4776 0.4118 0.047 Uiso 1 1 calc R U . . .
C2 C 1.1942(5) 0.3864(5) 0.2044(3) 0.0494(10) Uani 1 1 d . . . . .
H2 H 1.2546 0.3030 0.1744 0.059 Uiso 1 1 calc R U . . .
C3 C 1.0939(6) 0.5238(6) 0.1450(3) 0.0555(12) Uani 1 1 d . . . . .
H3 H 1.0877 0.5318 0.0767 0.067 Uiso 1 1 calc R U . . .
C4 C 1.0033(6) 0.6489(5) 0.1876(3) 0.0476(10) Uani 1 1 d . . . . .
H4 H 0.9353 0.7424 0.1489 0.057 Uiso 1 1 calc R U . . .
C5 C 1.0162(4) 0.6317(4) 0.2900(3) 0.0345(8) Uani 1 1 d . . . . .
C6 C 0.9193(4) 0.7519(4) 0.3454(3) 0.0337(8) Uani 1 1 d . . . . .
C7 C 0.7989(4) 0.9743(4) 0.3928(3) 0.0336(8) Uani 1 1 d . . . . .
C8 C 0.7476(5) 1.1410(4) 0.3975(3) 0.0364(8) Uani 1 1 d . . . . .
C9 C 0.8565(6) 1.2044(6) 0.4014(4) 0.0552(12) Uani 1 1 d . . . . .
H9 H 0.9631 1.1428 0.4018 0.066 Uiso 1 1 calc R U . . .
C10 C 0.8025(7) 1.3616(6) 0.4046(4) 0.0654(14) Uani 1 1 d . . . . .
H10 H 0.8723 1.4073 0.4081 0.078 Uiso 1 1 calc R U . . .
C11 C 0.6453(7) 1.4490(6) 0.4026(4) 0.0632(14) Uani 1 1 d . . . . .
H11 H 0.6064 1.5556 0.4031 0.076 Uiso 1 1 calc R U . . .
C12 C 0.5457(6) 1.3760(5) 0.3999(4) 0.0544(11) Uani 1 1 d . . . . .
H12 H 0.4388 1.4362 0.3994 0.065 Uiso 1 1 calc R U . . .
C13 C 0.9465(5) 0.9899(4) 0.2298(3) 0.0367(8) Uani 1 1 d . . . . .
C14 C 1.0993(5) 0.9743(5) 0.2193(4) 0.0501(11) Uani 1 1 d . . . . .
H14 H 1.1717 0.9119 0.2697 0.060 Uiso 1 1 calc R U . . .
C15 C 1.1416(6) 1.0551(6) 0.1309(4) 0.0636(14) Uani 1 1 d . . . . .
H15 H 1.2449 1.0452 0.1235 0.076 Uiso 1 1 calc R U . . .
C16 C 0.8986(8) 1.1557(7) 0.0698(4) 0.0719(16) Uani 1 1 d . . . . .
H16 H 0.8287 1.2179 0.0180 0.086 Uiso 1 1 calc R U . . .
C17 C 0.8425(6) 1.0813(6) 0.1549(3) 0.0541(11) Uani 1 1 d . . . . .
H17 H 0.7386 1.0932 0.1606 0.065 Uiso 1 1 calc R U . . .
C18 C 0.5562(7) 0.6706(8) 0.1158(5) 0.0779(17) Uani 1 1 d . . . . .
H18 H 0.5560 0.7307 0.1647 0.093 Uiso 1 1 calc R 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 N3 2.327(3) . ?
Ag1 N5 2.404(3) 2_676 ?
Ag1 O2 2.460(4) . ?
Ag1 N1 2.495(4) 2_766 ?
Ag1 O1 2.558(4) . ?
Ag1 Ag1 3.2591(13) 2_676 ?
Cl1 C18 1.772(7) . ?
Cl2 C18 1.701(6) . ?
Cl3 C18 1.713(7) . ?
O1 N7 1.226(7) . ?
O2 N7 1.213(7) . ?
N1 C2 1.320(6) . ?
N1 C1 1.339(5) . ?
N1 Ag1 2.495(4) 2_766 ?
N2 C6 1.313(5) . ?
N2 N3 1.385(4) . ?
N3 C7 1.311(5) . ?
N4 C7 1.365(5) . ?
N4 C6 1.376(5) . ?
N4 C13 1.442(5) . ?
N5 C12 1.339(5) . ?
N5 C8 1.341(5) . ?
N5 Ag1 2.404(3) 2_676 ?
N6 C15 1.311(7) . ?
N6 C16 1.330(8) . ?
C1 C5 1.383(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.382(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.376(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.389(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.466(5) . ?
C7 C8 1.475(5) . ?
C8 C9 1.389(6) . ?
C9 C10 1.381(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.366(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.376(7) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C17 1.362(6) . ?
C13 C14 1.372(6) . ?
C14 C15 1.387(6) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.385(7) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 H18 0.9800 . ?

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
N3 Ag1 N5 116.51(12) . 2_676 ?
N3 Ag1 O2 105.53(15) . . ?
N5 Ag1 O2 126.67(15) 2_676 . ?
N3 Ag1 N1 91.80(12) . 2_766 ?
N5 Ag1 N1 93.34(12) 2_676 2_766 ?
O2 Ag1 N1 117.41(16) . 2_766 ?
N3 Ag1 O1 152.11(16) . . ?
N5 Ag1 O1 90.25(15) 2_676 . ?
O2 Ag1 O1 47.96(17) . . ?
N1 Ag1 O1 94.46(15) 2_766 . ?
N3 Ag1 Ag1 72.33(9) . 2_676 ?
N5 Ag1 Ag1 79.81(9) 2_676 2_676 ?
O2 Ag1 Ag1 83.47(13) . 2_676 ?
N1 Ag1 Ag1 157.06(9) 2_766 2_676 ?
O1 Ag1 Ag1 107.34(13) . 2_676 ?
N7 O1 Ag1 96.5(4) . . ?
N7 O2 Ag1 101.9(4) . . ?
C2 N1 C1 117.4(4) . . ?
C2 N1 Ag1 120.8(3) . 2_766 ?
C1 N1 Ag1 121.8(3) . 2_766 ?
C6 N2 N3 107.1(3) . . ?
C7 N3 N2 108.2(3) . . ?
C7 N3 Ag1 130.9(3) . . ?
N2 N3 Ag1 120.6(2) . . ?
C7 N4 C6 105.4(3) . . ?
C7 N4 C13 127.2(3) . . ?
C6 N4 C13 127.2(3) . . ?
C12 N5 C8 116.3(4) . . ?
C12 N5 Ag1 118.4(3) . 2_676 ?
C8 N5 Ag1 125.3(3) . 2_676 ?
C15 N6 C16 116.4(4) . . ?
O2 N7 O1 113.6(5) . . ?
N1 C1 C5 123.9(4) . . ?
N1 C1 H1 118.1 . . ?
C5 C1 H1 118.1 . . ?
N1 C2 C3 123.0(4) . . ?
N1 C2 H2 118.5 . . ?
C3 C2 H2 118.5 . . ?
C4 C3 C2 119.6(4) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 118.2(4) . . ?
C3 C4 H4 120.9 . . ?
C5 C4 H4 120.9 . . ?
C1 C5 C4 117.9(4) . . ?
C1 C5 C6 118.4(3) . . ?
C4 C5 C6 123.6(3) . . ?
N2 C6 N4 109.7(3) . . ?
N2 C6 C5 124.2(3) . . ?
N4 C6 C5 126.0(3) . . ?
N3 C7 N4 109.5(3) . . ?
N3 C7 C8 126.4(3) . . ?
N4 C7 C8 123.9(3) . . ?
N5 C8 C9 123.4(4) . . ?
N5 C8 C7 116.1(3) . . ?
C9 C8 C7 120.5(4) . . ?
C10 C9 C8 118.2(5) . . ?
C10 C9 H9 120.9 . . ?
C8 C9 H9 120.9 . . ?
C11 C10 C9 119.3(5) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
C10 C11 C12 118.6(4) . . ?
C10 C11 H11 120.7 . . ?
C12 C11 H11 120.7 . . ?
N5 C12 C11 124.2(5) . . ?
N5 C12 H12 117.9 . . ?
C11 C12 H12 117.9 . . ?
C17 C13 C14 120.3(4) . . ?
C17 C13 N4 119.1(4) . . ?
C14 C13 N4 120.6(4) . . ?
C13 C14 C15 117.5(5) . . ?
C13 C14 H14 121.3 . . ?
C15 C14 H14 121.3 . . ?
N6 C15 C14 124.2(5) . . ?
N6 C15 H15 117.9 . . ?
C14 C15 H15 117.9 . . ?
N6 C16 C17 124.5(5) . . ?
N6 C16 H16 117.7 . . ?
C17 C16 H16 117.7 . . ?
C13 C17 C16 117.0(5) . . ?
C13 C17 H17 121.5 . . ?
C16 C17 H17 121.5 . . ?
Cl2 C18 Cl3 111.6(4) . . ?
Cl2 C18 Cl1 109.4(4) . . ?
Cl3 C18 Cl1 111.3(3) . . ?
Cl2 C18 H18 108.1 . . ?
Cl3 C18 H18 108.1 . . ?
Cl1 C18 H18 108.1 . . ?

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
C6 N2 N3 C7 -0.1(4) . . . . ?
C6 N2 N3 Ag1 174.2(3) . . . . ?
Ag1 O2 N7 O1 3.1(7) . . . . ?
Ag1 O1 N7 O2 -3.0(6) . . . . ?
C2 N1 C1 C5 -0.5(6) . . . . ?
Ag1 N1 C1 C5 178.2(3) 2_766 . . . ?
C1 N1 C2 C3 0.3(7) . . . . ?
Ag1 N1 C2 C3 -178.4(4) 2_766 . . . ?
N1 C2 C3 C4 0.0(8) . . . . ?
C2 C3 C4 C5 -0.1(7) . . . . ?
N1 C1 C5 C4 0.4(6) . . . . ?
N1 C1 C5 C6 176.5(4) . . . . ?
C3 C4 C5 C1 -0.1(6) . . . . ?
C3 C4 C5 C6 -176.0(4) . . . . ?
N3 N2 C6 N4 0.6(4) . . . . ?
N3 N2 C6 C5 179.1(4) . . . . ?
C7 N4 C6 N2 -0.9(4) . . . . ?
C13 N4 C6 N2 -176.1(4) . . . . ?
C7 N4 C6 C5 -179.4(4) . . . . ?
C13 N4 C6 C5 5.4(6) . . . . ?
C1 C5 C6 N2 -44.3(6) . . . . ?
C4 C5 C6 N2 131.6(4) . . . . ?
C1 C5 C6 N4 134.0(4) . . . . ?
C4 C5 C6 N4 -50.1(6) . . . . ?
N2 N3 C7 N4 -0.5(4) . . . . ?
Ag1 N3 C7 N4 -174.0(3) . . . . ?
N2 N3 C7 C8 -176.6(4) . . . . ?
Ag1 N3 C7 C8 9.9(6) . . . . ?
C6 N4 C7 N3 0.8(4) . . . . ?
C13 N4 C7 N3 176.1(4) . . . . ?
C6 N4 C7 C8 177.1(4) . . . . ?
C13 N4 C7 C8 -7.6(6) . . . . ?
C12 N5 C8 C9 1.8(6) . . . . ?
Ag1 N5 C8 C9 -175.8(3) 2_676 . . . ?
C12 N5 C8 C7 -178.5(4) . . . . ?
Ag1 N5 C8 C7 4.0(5) 2_676 . . . ?
N3 C7 C8 N5 -61.8(5) . . . . ?
N4 C7 C8 N5 122.5(4) . . . . ?
N3 C7 C8 C9 117.9(5) . . . . ?
N4 C7 C8 C9 -57.7(6) . . . . ?
N5 C8 C9 C10 -0.9(7) . . . . ?
C7 C8 C9 C10 179.3(4) . . . . ?
C8 C9 C10 C11 -0.8(8) . . . . ?
C9 C10 C11 C12 1.6(8) . . . . ?
C8 N5 C12 C11 -0.9(7) . . . . ?
Ag1 N5 C12 C11 176.8(4) 2_676 . . . ?
C10 C11 C12 N5 -0.7(8) . . . . ?
C7 N4 C13 C17 -71.4(6) . . . . ?
C6 N4 C13 C17 102.9(5) . . . . ?
C7 N4 C13 C14 109.1(5) . . . . ?
C6 N4 C13 C14 -76.6(5) . . . . ?
C17 C13 C14 C15 0.3(7) . . . . ?
N4 C13 C14 C15 179.8(4) . . . . ?
C16 N6 C15 C14 -0.2(9) . . . . ?
C13 C14 C15 N6 -0.2(8) . . . . ?
C15 N6 C16 C17 0.5(9) . . . . ?
C14 C13 C17 C16 0.0(7) . . . . ?
N4 C13 C17 C16 -179.6(4) . . . . ?
N6 C16 C17 C13 -0.4(9) . . . . ?

_refine_diff_density_max         1.176
_refine_diff_density_min         -0.922
_refine_diff_density_rms         0.082

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1506804'
_audit_update_record             
;
2016-09-27 deposited with the CCDC.
2017-07-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C17 H16.50 Ag N7 O4.25'
_chemical_formula_weight         494.74

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/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                   10.0544(6)
_cell_length_b                   14.8631(9)
_cell_length_c                   13.3957(8)
_cell_angle_alpha                90
_cell_angle_beta                 98.2720(10)
_cell_angle_gamma                90
_cell_volume                     1981.0(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    7526
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      28.27

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_F_000             994
_exptl_transmission_factor_min   0.6166
_exptl_transmission_factor_max   0.7457
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.058
_shelx_estimated_absorpt_T_min   0.801
_shelx_estimated_absorpt_T_max   0.816
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14413
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.059
_diffrn_reflns_theta_max         28.271
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4915
_reflns_number_gt                4347
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0498P)²+4.9056P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4915
_refine_ls_number_parameters     277
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0334
_refine_ls_wR_factor_ref         0.0985
_refine_ls_wR_factor_gt          0.0951
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_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 0.43397(2) 0.49646(2) 0.59165(2) 0.01231(8) Uani 1 1 d . . . . .
O4 O 0.025(4) 0.7105(12) 0.5282(11) 0.0380(15) Uani 0.281(7) 1 d . . P A 1
O4' O 0.0675(6) 0.7040(4) 0.6283(4) 0.0380(15) Uani 0.469(7) 1 d . . P A 2
N1 N 0.3031(2) 0.55887(15) 0.44586(17) 0.0138(4) Uani 1 1 d . . . . .
O5 O 0.081(6) 0.717(3) 0.535(3) 0.044(3) Uani 0.087(18) 1 d . . P B 3
O5' O -0.0301(13) 0.7217(11) 0.5374(7) 0.044(3) Uani 0.413(18) 1 d . . P B 4
N2 N 0.1791(2) 0.51883(16) 0.41413(17) 0.0139(4) Uani 1 1 d . . . . .
N3 N 0.1857(2) 0.65091(14) 0.33947(16) 0.0123(4) Uani 1 1 d . . . . .
N4 N -0.2546(2) 0.52230(17) 0.30605(19) 0.0180(5) Uani 1 1 d . . . . .
N5 N 0.0402(2) 0.88088(15) 0.17545(18) 0.0162(4) Uani 1 1 d . . . . .
N6 N 0.5421(2) 0.66092(15) 0.41465(17) 0.0145(4) Uani 1 1 d . . . . .
N7 N 0.2144(5) 0.0293(3) 0.3454(4) 0.0434(6) Uani 0.863(5) 1 d D . P C 1
O1 O 0.1173(3) 0.0796(2) 0.3278(3) 0.0434(6) Uani 0.863(5) 1 d D . P C 1
O2 O 0.2083(4) -0.0346(2) 0.4045(3) 0.0434(6) Uani 0.863(5) 1 d D . P C 1
N7' N 0.188(2) 0.0211(19) 0.363(3) 0.0434(6) Uani 0.137(5) 1 d D . P C 2
O1' O 0.2999(18) 0.0020(13) 0.3458(17) 0.0434(6) Uani 0.137(5) 1 d D . P C 2
O2' O 0.1328(19) -0.0282(15) 0.4183(16) 0.0434(6) Uani 0.137(5) 1 d D . P C 2
C1 C 0.3056(3) 0.63708(17) 0.40004(19) 0.0128(5) Uani 1 1 d . . . . .
C2 C 0.1111(3) 0.57491(17) 0.35061(19) 0.0127(5) Uani 1 1 d . . . . .
C3 C 0.4209(3) 0.69978(17) 0.41339(19) 0.0132(5) Uani 1 1 d . . . . .
C4 C 0.4036(3) 0.79217(18) 0.4244(2) 0.0188(5) Uani 1 1 d . . . . .
H4 H 0.3166 0.8170 0.4249 0.023 Uiso 1 1 calc R U . . .
C5 C 0.5167(3) 0.84696(19) 0.4348(2) 0.0232(6) Uani 1 1 d . . . . .
H5 H 0.5081 0.9102 0.4415 0.028 Uiso 1 1 calc R U . . .
C6 C 0.6429(3) 0.8081(2) 0.4353(2) 0.0230(6) Uani 1 1 d . . . . .
H6 H 0.7217 0.8442 0.4419 0.028 Uiso 1 1 calc R U . . .
C7 C 0.6507(3) 0.71526(19) 0.4259(2) 0.0191(5) Uani 1 1 d . . . . .
H7 H 0.7368 0.6887 0.4274 0.023 Uiso 1 1 calc R U . . .
C8 C -0.1270(3) 0.53431(19) 0.3500(2) 0.0152(5) Uani 1 1 d . . . . .
H8 H -0.1060 0.5253 0.4208 0.018 Uiso 1 1 calc R U . . .
C9 C -0.0247(3) 0.55929(17) 0.2962(2) 0.0134(5) Uani 1 1 d . . . . .
C10 C -0.0538(3) 0.5708(2) 0.1921(2) 0.0194(5) Uani 1 1 d . . . . .
H10 H 0.0147 0.5868 0.1534 0.023 Uiso 1 1 calc R U . . .
C11 C -0.1860(3) 0.5582(2) 0.1461(2) 0.0217(6) Uani 1 1 d . . . . .
H11 H -0.2094 0.5651 0.0752 0.026 Uiso 1 1 calc R U . . .
C12 C -0.2827(3) 0.5356(2) 0.2058(2) 0.0191(5) Uani 1 1 d . . . . .
H12 H -0.3732 0.5291 0.1745 0.023 Uiso 1 1 calc R U . . .
C13 C -0.0287(3) 0.84153(19) 0.2423(2) 0.0197(6) Uani 1 1 d . . . . .
H13 H -0.1132 0.8663 0.2514 0.024 Uiso 1 1 calc R U . . .
C14 C 0.0169(3) 0.76661(19) 0.2987(2) 0.0189(5) Uani 1 1 d . . . . .
H14 H -0.0334 0.7416 0.3468 0.023 Uiso 1 1 calc R U . . .
C15 C 0.1385(3) 0.72929(17) 0.28252(19) 0.0135(5) Uani 1 1 d . . . . .
C16 C 0.2109(3) 0.76693(18) 0.2122(2) 0.0138(5) Uani 1 1 d . . . . .
H16 H 0.2928 0.7410 0.1985 0.017 Uiso 1 1 calc R U . . .
C17 C 0.1585(3) 0.84430(18) 0.1625(2) 0.0152(5) Uani 1 1 d . . . . .
H17 H 0.2094 0.8727 0.1169 0.018 Uiso 1 1 calc R U . . .
O3 O 0.9778(4) 0.8894(2) 0.4816(2) 0.0580(9) Uani 1 1 d . . . . .
H3A H 0.9742 0.8736 0.5422 0.087 Uiso 1 1 d R U . . .
H3B H 1.0409 0.9276 0.4829 0.087 Uiso 1 1 d R 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 N5 2.319(2) 4_676 ?
Ag1 N6 2.354(2) 3_666 ?
Ag1 N1 2.381(2) . ?
Ag1 N4 2.433(2) 3_566 ?
Ag1 Ag1 2.9566(4) 3_666 ?
N1 C1 1.316(3) . ?
N1 N2 1.391(3) . ?
N2 C2 1.311(3) . ?
N3 C1 1.368(3) . ?
N3 C2 1.376(3) . ?
N3 C15 1.435(3) . ?
N4 C8 1.344(3) . ?
N4 C12 1.346(4) . ?
N4 Ag1 2.433(2) 3_566 ?
N5 C13 1.342(4) . ?
N5 C17 1.342(4) . ?
N5 Ag1 2.319(2) 4_575 ?
N6 C3 1.347(3) . ?
N6 C7 1.348(3) . ?
N6 Ag1 2.354(2) 3_666 ?
N7 O1 1.226(5) . ?
N7 O2 1.243(5) . ?
N7' O1' 1.217(10) . ?
N7' O2' 1.228(10) . ?
C1 C3 1.478(4) . ?
C2 C9 1.471(3) . ?
C3 C4 1.395(4) . ?
C4 C5 1.389(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(4) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.389(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.394(4) . ?
C10 C11 1.395(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.387(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.386(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.388(4) . ?
C16 C17 1.394(4) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
O3 H3A 0.8502 . ?
O3 H3B 0.8499 . ?

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
N5 Ag1 N6 139.13(8) 4_676 3_666 ?
N5 Ag1 N1 104.62(8) 4_676 . ?
N6 Ag1 N1 113.89(8) 3_666 . ?
N5 Ag1 N4 98.30(8) 4_676 3_566 ?
N6 Ag1 N4 89.66(8) 3_666 3_566 ?
N1 Ag1 N4 98.02(8) . 3_566 ?
N5 Ag1 Ag1 98.26(6) 4_676 3_666 ?
N6 Ag1 Ag1 86.86(6) 3_666 3_666 ?
N1 Ag1 Ag1 64.28(6) . 3_666 ?
N4 Ag1 Ag1 158.38(6) 3_566 3_666 ?
C1 N1 N2 108.2(2) . . ?
C1 N1 Ag1 132.94(18) . . ?
N2 N1 Ag1 116.69(16) . . ?
C2 N2 N1 106.7(2) . . ?
C1 N3 C2 105.1(2) . . ?
C1 N3 C15 129.3(2) . . ?
C2 N3 C15 125.5(2) . . ?
C8 N4 C12 117.9(2) . . ?
C8 N4 Ag1 120.42(18) . 3_566 ?
C12 N4 Ag1 120.78(19) . 3_566 ?
C13 N5 C17 117.5(2) . . ?
C13 N5 Ag1 114.81(18) . 4_575 ?
C17 N5 Ag1 127.64(18) . 4_575 ?
C3 N6 C7 117.5(2) . . ?
C3 N6 Ag1 121.49(17) . 3_666 ?
C7 N6 Ag1 120.94(19) . 3_666 ?
O1 N7 O2 118.5(4) . . ?
O1' N7' O2' 119.0(14) . . ?
N1 C1 N3 109.6(2) . . ?
N1 C1 C3 124.6(2) . . ?
N3 C1 C3 125.8(2) . . ?
N2 C2 N3 110.6(2) . . ?
N2 C2 C9 125.5(2) . . ?
N3 C2 C9 123.9(2) . . ?
N6 C3 C4 123.2(2) . . ?
N6 C3 C1 115.1(2) . . ?
C4 C3 C1 121.8(2) . . ?
C5 C4 C3 118.4(3) . . ?
C5 C4 H4 120.8 . . ?
C3 C4 H4 120.8 . . ?
C4 C5 C6 119.3(3) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
C7 C6 C5 118.3(3) . . ?
C7 C6 H6 120.8 . . ?
C5 C6 H6 120.8 . . ?
N6 C7 C6 123.4(3) . . ?
N6 C7 H7 118.3 . . ?
C6 C7 H7 118.3 . . ?
N4 C8 C9 122.6(2) . . ?
N4 C8 H8 118.7 . . ?
C9 C8 H8 118.7 . . ?
C8 C9 C10 119.2(2) . . ?
C8 C9 C2 119.3(2) . . ?
C10 C9 C2 121.5(2) . . ?
C9 C10 C11 118.3(3) . . ?
C9 C10 H10 120.8 . . ?
C11 C10 H10 120.8 . . ?
C12 C11 C10 118.7(3) . . ?
C12 C11 H11 120.6 . . ?
C10 C11 H11 120.6 . . ?
N4 C12 C11 123.2(3) . . ?
N4 C12 H12 118.4 . . ?
C11 C12 H12 118.4 . . ?
N5 C13 C14 123.5(3) . . ?
N5 C13 H13 118.3 . . ?
C14 C13 H13 118.3 . . ?
C13 C14 C15 117.8(3) . . ?
C13 C14 H14 121.1 . . ?
C15 C14 H14 121.1 . . ?
C14 C15 C16 120.3(2) . . ?
C14 C15 N3 118.2(2) . . ?
C16 C15 N3 121.5(2) . . ?
C15 C16 C17 117.3(2) . . ?
C15 C16 H16 121.4 . . ?
C17 C16 H16 121.4 . . ?
N5 C17 C16 123.6(2) . . ?
N5 C17 H17 118.2 . . ?
C16 C17 H17 118.2 . . ?
H3A O3 H3B 107.3 . . ?

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
C1 N1 N2 C2 -0.4(3) . . . . ?
Ag1 N1 N2 C2 164.93(17) . . . . ?
N2 N1 C1 N3 0.8(3) . . . . ?
Ag1 N1 C1 N3 -161.14(18) . . . . ?
N2 N1 C1 C3 -179.6(2) . . . . ?
Ag1 N1 C1 C3 18.5(4) . . . . ?
C2 N3 C1 N1 -0.9(3) . . . . ?
C15 N3 C1 N1 174.0(2) . . . . ?
C2 N3 C1 C3 179.5(2) . . . . ?
C15 N3 C1 C3 -5.7(4) . . . . ?
N1 N2 C2 N3 -0.2(3) . . . . ?
N1 N2 C2 C9 178.5(2) . . . . ?
C1 N3 C2 N2 0.7(3) . . . . ?
C15 N3 C2 N2 -174.4(2) . . . . ?
C1 N3 C2 C9 -178.0(2) . . . . ?
C15 N3 C2 C9 6.8(4) . . . . ?
C7 N6 C3 C4 -0.9(4) . . . . ?
Ag1 N6 C3 C4 175.1(2) 3_666 . . . ?
C7 N6 C3 C1 179.5(2) . . . . ?
Ag1 N6 C3 C1 -4.4(3) 3_666 . . . ?
N1 C1 C3 N6 42.8(4) . . . . ?
N3 C1 C3 N6 -137.6(3) . . . . ?
N1 C1 C3 C4 -136.8(3) . . . . ?
N3 C1 C3 C4 42.8(4) . . . . ?
N6 C3 C4 C5 1.6(4) . . . . ?
C1 C3 C4 C5 -178.8(3) . . . . ?
C3 C4 C5 C6 -0.9(4) . . . . ?
C4 C5 C6 C7 -0.4(4) . . . . ?
C3 N6 C7 C6 -0.5(4) . . . . ?
Ag1 N6 C7 C6 -176.6(2) 3_666 . . . ?
C5 C6 C7 N6 1.1(5) . . . . ?
C12 N4 C8 C9 -0.2(4) . . . . ?
Ag1 N4 C8 C9 -169.6(2) 3_566 . . . ?
N4 C8 C9 C10 -1.3(4) . . . . ?
N4 C8 C9 C2 177.4(3) . . . . ?
N2 C2 C9 C8 52.1(4) . . . . ?
N3 C2 C9 C8 -129.3(3) . . . . ?
N2 C2 C9 C10 -129.2(3) . . . . ?
N3 C2 C9 C10 49.3(4) . . . . ?
C8 C9 C10 C11 1.1(4) . . . . ?
C2 C9 C10 C11 -177.5(3) . . . . ?
C9 C10 C11 C12 0.5(4) . . . . ?
C8 N4 C12 C11 2.0(4) . . . . ?
Ag1 N4 C12 C11 171.3(2) 3_566 . . . ?
C10 C11 C12 N4 -2.1(5) . . . . ?
C17 N5 C13 C14 0.9(4) . . . . ?
Ag1 N5 C13 C14 179.0(2) 4_575 . . . ?
N5 C13 C14 C15 -1.9(5) . . . . ?
C13 C14 C15 C16 0.3(4) . . . . ?
C13 C14 C15 N3 -179.1(3) . . . . ?
C1 N3 C15 C14 -124.8(3) . . . . ?
C2 N3 C15 C14 49.1(4) . . . . ?
C1 N3 C15 C16 55.9(4) . . . . ?
C2 N3 C15 C16 -130.2(3) . . . . ?
C14 C15 C16 C17 2.2(4) . . . . ?
N3 C15 C16 C17 -178.4(2) . . . . ?
C13 N5 C17 C16 1.9(4) . . . . ?
Ag1 N5 C17 C16 -176.0(2) 4_575 . . . ?
C15 C16 C17 N5 -3.4(4) . . . . ?

_refine_diff_density_max         1.265
_refine_diff_density_min         -1.173
_refine_diff_density_rms         0.116

####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1506805'
_audit_update_record             
;
2016-09-27 deposited with the CCDC.
2017-07-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H14 Ag F3 N6 O3'
_chemical_formula_weight         539.23

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   10.2840(4)
_cell_length_b                   14.6472(6)
_cell_length_c                   15.6111(5)
_cell_angle_alpha                90
_cell_angle_beta                 118.983(2)
_cell_angle_gamma                90
_cell_volume                     2057.03(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7708
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      27.92

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_F_000             1072
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.042
_shelx_estimated_absorpt_T_min   0.803
_shelx_estimated_absorpt_T_max   0.819
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.8022
_exptl_absorpt_correction_T_max  0.8177
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10334
_diffrn_reflns_av_unetI/netI     0.0147
_diffrn_reflns_av_R_equivalents  0.0140
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.039
_diffrn_reflns_theta_max         25.008
_diffrn_reflns_theta_full        25.008
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3634
_reflns_number_gt                3232
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0729P)²+5.3992P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3634
_refine_ls_number_parameters     308
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0442
_refine_ls_wR_factor_ref         0.1315
_refine_ls_wR_factor_gt          0.1264
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.093
_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 -0.34259(4) 0.50538(2) 0.59501(3) 0.03867(16) Uani 1 1 d . . . . .
F1 F 0.0453(10) 0.3353(5) 0.5498(6) 0.126(2) Uani 0.607(6) 1 d D U P A 1
F2 F 0.1141(11) 0.3106(7) 0.6996(6) 0.160(4) Uani 0.607(6) 1 d D U P A 1
F3 F -0.0951(8) 0.2622(7) 0.5897(7) 0.150(3) Uani 0.607(6) 1 d D U P A 1
F1' F 0.0281(13) 0.2523(9) 0.6935(7) 0.126(2) Uani 0.393(6) 1 d D U P A 2
F2' F 0.1690(12) 0.3299(8) 0.6631(9) 0.160(4) Uani 0.393(6) 1 d D U P A 2
F3' F -0.0573(11) 0.3301(8) 0.5671(10) 0.150(3) Uani 0.393(6) 1 d D U P A 2
O1 O 0.0381(12) 0.1562(8) 0.5172(6) 0.187(4) Uani 1 1 d . . . . .
O2 O 0.2247(7) 0.1584(4) 0.6601(6) 0.120(2) Uani 1 1 d . . . . .
N1 N -0.0663(4) 0.5251(3) 0.6885(3) 0.0433(9) Uani 1 1 d . . . . .
N2 N 0.2615(4) 0.5146(2) 0.5815(3) 0.0345(8) Uani 1 1 d . . . . .
N3 N 0.3514(4) 0.5556(2) 0.5496(3) 0.0341(7) Uani 1 1 d . . . . .
N4 N 0.3282(4) 0.6507(2) 0.6493(2) 0.0304(7) Uani 1 1 d . . . . .
N5 N 0.3510(4) 0.8806(2) 0.8172(3) 0.0381(8) Uani 1 1 d . . . . .
N6 N 0.6075(4) 0.6616(2) 0.5762(3) 0.0347(7) Uani 1 1 d . . . . .
C1 C 0.1664(4) 0.5559(3) 0.6946(3) 0.0315(8) Uani 1 1 d . . . . .
C2 C 0.0160(5) 0.5378(3) 0.6442(3) 0.0362(9) Uani 1 1 d . . . . .
H2 H -0.0305 0.5343 0.5762 0.043 Uiso 1 1 calc R U . . .
C3 C 0.0038(6) 0.5299(4) 0.7858(4) 0.0474(11) Uani 1 1 d . . . . .
H3 H -0.0522 0.5224 0.8175 0.057 Uiso 1 1 calc R U . . .
C4 C 0.1532(6) 0.5454(4) 0.8422(4) 0.0509(12) Uani 1 1 d . . . . .
H4 H 0.1973 0.5468 0.9101 0.061 Uiso 1 1 calc R U . . .
C5 C 0.2369(5) 0.5589(4) 0.7958(3) 0.0465(11) Uani 1 1 d . . . . .
H5 H 0.3386 0.5697 0.8319 0.056 Uiso 1 1 calc R U . . .
C6 C 0.2488(4) 0.5723(3) 0.6409(3) 0.0304(8) Uani 1 1 d . . . . .
C7 C 0.3915(4) 0.6359(3) 0.5908(3) 0.0295(8) Uani 1 1 d . . . . .
C8 C 0.4876(5) 0.6996(3) 0.5744(3) 0.0322(8) Uani 1 1 d . . . . .
C9 C 0.6981(5) 0.7169(3) 0.5609(4) 0.0461(11) Uani 1 1 d . . . . .
H9 H 0.7811 0.6916 0.5611 0.055 Uiso 1 1 calc R U . . .
C10 C 0.6745(6) 0.8090(3) 0.5448(4) 0.0560(13) Uani 1 1 d . . . . .
H10 H 0.7413 0.8452 0.5358 0.067 Uiso 1 1 calc R U . . .
C11 C 0.5510(6) 0.8466(3) 0.5424(4) 0.0546(13) Uani 1 1 d . . . . .
H11 H 0.5323 0.9088 0.5312 0.066 Uiso 1 1 calc R U . . .
C12 C 0.4547(6) 0.7914(3) 0.5567(4) 0.0451(11) Uani 1 1 d . . . . .
H12 H 0.3694 0.8154 0.5543 0.054 Uiso 1 1 calc R U . . .
C13 C 0.3378(4) 0.7297(3) 0.7066(3) 0.0302(8) Uani 1 1 d . . . . .
C14 C 0.2096(5) 0.7659(3) 0.6996(3) 0.0392(10) Uani 1 1 d . . . . .
H14 H 0.1171 0.7412 0.6570 0.047 Uiso 1 1 calc R U . . .
C15 C 0.2222(5) 0.8399(3) 0.7577(4) 0.0433(10) Uani 1 1 d . . . . .
H15 H 0.1361 0.8628 0.7552 0.052 Uiso 1 1 calc R U . . .
C16 C 0.4736(5) 0.8452(3) 0.8212(3) 0.0393(10) Uani 1 1 d . . . . .
H16 H 0.5642 0.8735 0.8611 0.047 Uiso 1 1 calc R U . . .
C17 C 0.4729(5) 0.7689(3) 0.7691(3) 0.0369(9) Uani 1 1 d . . . . .
H17 H 0.5610 0.7446 0.7759 0.044 Uiso 1 1 calc R U . . .
C18 C 0.1114(9) 0.1872(6) 0.5949(6) 0.0819(19) Uani 1 1 d . . . . .
C19 C 0.0551(7) 0.2677(5) 0.6163(5) 0.098(3) Uani 1 1 d D . . . .
O3 O 0.8188(13) 0.4549(7) 0.9374(7) 0.095(3) Uani 0.5 1 d . U P . .
H3A H 0.8534 0.4036 0.9653 0.143 Uiso 0.5 1 d R U P . .
H3B H 0.8718 0.5023 0.9637 0.143 Uiso 0.5 1 d R U P . .
O4 O 0.5722(12) 0.5343(8) 0.8362(10) 0.103(3) Uani 0.5 1 d . U P . .
H4A H 0.6254 0.4881 0.8536 0.154 Uiso 0.5 1 d R U P . .
H4B H 0.6449 0.5697 0.8489 0.154 Uiso 0.5 1 d R U P . .


_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 N5 2.311(3) 2_546 ?
Ag1 N6 2.332(3) 1_455 ?
Ag1 N3 2.388(3) 3_566 ?
Ag1 N1 2.504(4) . ?
Ag1 Ag1 3.1620(7) 3_466 ?
F1 C19 1.402(7) . ?
F2 C19 1.300(8) . ?
F3 C19 1.394(8) . ?
F1' C19 1.3803(10) . ?
F2' C19 1.3805(11) . ?
F3' C19 1.3790(10) . ?
O1 C18 1.166(10) . ?
O2 C18 1.193(9) . ?
N1 C3 1.330(6) . ?
N1 C2 1.342(6) . ?
N2 C6 1.306(5) . ?
N2 N3 1.382(5) . ?
N3 C7 1.308(5) . ?
N3 Ag1 2.388(3) 3_566 ?
N4 C7 1.372(5) . ?
N4 C6 1.379(5) . ?
N4 C13 1.436(5) . ?
N5 C15 1.334(6) . ?
N5 C16 1.337(6) . ?
N5 Ag1 2.311(3) 2_556 ?
N6 C9 1.341(6) . ?
N6 C8 1.342(5) . ?
N6 Ag1 2.332(3) 1_655 ?
C1 C2 1.379(6) . ?
C1 C5 1.383(6) . ?
C1 C6 1.473(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.370(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.381(7) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C7 C8 1.469(5) . ?
C8 C12 1.381(6) . ?
C9 C10 1.371(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.368(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.378(7) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.376(6) . ?
C13 C17 1.377(6) . ?
C14 C15 1.379(6) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.381(6) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.423(10) . ?
O3 H3A 0.8556 . ?
O3 H3B 0.8540 . ?
O4 H4A 0.8289 . ?
O4 H4B 0.8508 . ?

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
N5 Ag1 N6 141.41(12) 2_546 1_455 ?
N5 Ag1 N3 105.63(12) 2_546 3_566 ?
N6 Ag1 N3 110.03(12) 1_455 3_566 ?
N5 Ag1 N1 95.93(14) 2_546 . ?
N6 Ag1 N1 94.50(13) 1_455 . ?
N3 Ag1 N1 96.14(12) 3_566 . ?
N5 Ag1 Ag1 101.62(10) 2_546 3_466 ?
N6 Ag1 Ag1 82.42(9) 1_455 3_466 ?
N3 Ag1 Ag1 62.74(9) 3_566 3_466 ?
N1 Ag1 Ag1 155.45(9) . 3_466 ?
C3 N1 C2 117.0(4) . . ?
C3 N1 Ag1 120.4(3) . . ?
C2 N1 Ag1 122.5(3) . . ?
C6 N2 N3 106.9(3) . . ?
C7 N3 N2 108.6(3) . . ?
C7 N3 Ag1 131.3(3) . 3_566 ?
N2 N3 Ag1 116.9(2) . 3_566 ?
C7 N4 C6 104.7(3) . . ?
C7 N4 C13 129.1(3) . . ?
C6 N4 C13 126.2(3) . . ?
C15 N5 C16 117.1(4) . . ?
C15 N5 Ag1 117.2(3) . 2_556 ?
C16 N5 Ag1 125.8(3) . 2_556 ?
C9 N6 C8 117.1(4) . . ?
C9 N6 Ag1 119.1(3) . 1_655 ?
C8 N6 Ag1 123.7(3) . 1_655 ?
C2 C1 C5 118.8(4) . . ?
C2 C1 C6 120.1(4) . . ?
C5 C1 C6 121.2(4) . . ?
N1 C2 C1 123.0(4) . . ?
N1 C2 H2 118.5 . . ?
C1 C2 H2 118.5 . . ?
N1 C3 C4 124.1(4) . . ?
N1 C3 H3 117.9 . . ?
C4 C3 H3 117.9 . . ?
C3 C4 C5 118.4(4) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 H4 120.8 . . ?
C4 C5 C1 118.6(4) . . ?
C4 C5 H5 120.7 . . ?
C1 C5 H5 120.7 . . ?
N2 C6 N4 110.4(3) . . ?
N2 C6 C1 125.6(4) . . ?
N4 C6 C1 124.0(3) . . ?
N3 C7 N4 109.4(3) . . ?
N3 C7 C8 124.4(3) . . ?
N4 C7 C8 126.2(3) . . ?
N6 C8 C12 122.8(4) . . ?
N6 C8 C7 114.9(3) . . ?
C12 C8 C7 122.3(4) . . ?
N6 C9 C10 123.4(5) . . ?
N6 C9 H9 118.3 . . ?
C10 C9 H9 118.3 . . ?
C11 C10 C9 118.7(4) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C10 C11 C12 119.3(5) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
C11 C12 C8 118.6(4) . . ?
C11 C12 H12 120.7 . . ?
C8 C12 H12 120.7 . . ?
C14 C13 C17 119.6(4) . . ?
C14 C13 N4 119.1(4) . . ?
C17 C13 N4 121.2(3) . . ?
C13 C14 C15 118.0(4) . . ?
C13 C14 H14 121.0 . . ?
C15 C14 H14 121.0 . . ?
N5 C15 C14 123.7(4) . . ?
N5 C15 H15 118.2 . . ?
C14 C15 H15 118.2 . . ?
N5 C16 C17 123.4(4) . . ?
N5 C16 H16 118.3 . . ?
C17 C16 H16 118.3 . . ?
C13 C17 C16 118.0(4) . . ?
C13 C17 H17 121.0 . . ?
C16 C17 H17 121.0 . . ?
O1 C18 O2 128.5(10) . . ?
O1 C18 C19 115.8(9) . . ?
O2 C18 C19 115.7(8) . . ?
F3' C19 F1' 97.2(6) . . ?
F3' C19 F2' 97.2(6) . . ?
F1' C19 F2' 97.1(6) . . ?
F2 C19 F3 103.8(6) . . ?
F2 C19 F1 103.3(6) . . ?
F3 C19 F1 98.6(5) . . ?
F2 C19 C18 126.1(8) . . ?
F3' C19 C18 138.2(10) . . ?
F1' C19 C18 110.3(8) . . ?
F2' C19 C18 109.5(8) . . ?
F3 C19 C18 113.6(7) . . ?
F1 C19 C18 107.6(7) . . ?
H3A O3 H3B 117.2 . . ?
H4A O4 H4B 93.2 . . ?

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
C6 N2 N3 C7 0.5(5) . . . . ?
C6 N2 N3 Ag1 -161.7(3) . . . 3_566 ?
C3 N1 C2 C1 -0.4(7) . . . . ?
Ag1 N1 C2 C1 174.8(3) . . . . ?
C5 C1 C2 N1 1.6(7) . . . . ?
C6 C1 C2 N1 -177.9(4) . . . . ?
C2 N1 C3 C4 -1.2(8) . . . . ?
Ag1 N1 C3 C4 -176.5(4) . . . . ?
N1 C3 C4 C5 1.5(9) . . . . ?
C3 C4 C5 C1 -0.2(8) . . . . ?
C2 C1 C5 C4 -1.3(7) . . . . ?
C6 C1 C5 C4 178.3(5) . . . . ?
N3 N2 C6 N4 0.0(5) . . . . ?
N3 N2 C6 C1 -177.9(4) . . . . ?
C7 N4 C6 N2 -0.5(4) . . . . ?
C13 N4 C6 N2 178.7(4) . . . . ?
C7 N4 C6 C1 177.5(4) . . . . ?
C13 N4 C6 C1 -3.3(6) . . . . ?
C2 C1 C6 N2 -60.1(6) . . . . ?
C5 C1 C6 N2 120.4(5) . . . . ?
C2 C1 C6 N4 122.2(4) . . . . ?
C5 C1 C6 N4 -57.3(6) . . . . ?
N2 N3 C7 N4 -0.8(5) . . . . ?
Ag1 N3 C7 N4 157.9(3) 3_566 . . . ?
N2 N3 C7 C8 -180.0(4) . . . . ?
Ag1 N3 C7 C8 -21.2(6) 3_566 . . . ?
C6 N4 C7 N3 0.8(4) . . . . ?
C13 N4 C7 N3 -178.4(4) . . . . ?
C6 N4 C7 C8 179.9(4) . . . . ?
C13 N4 C7 C8 0.7(7) . . . . ?
C9 N6 C8 C12 0.8(6) . . . . ?
Ag1 N6 C8 C12 -175.5(3) 1_655 . . . ?
C9 N6 C8 C7 179.5(4) . . . . ?
Ag1 N6 C8 C7 3.2(5) 1_655 . . . ?
N3 C7 C8 N6 -44.4(6) . . . . ?
N4 C7 C8 N6 136.6(4) . . . . ?
N3 C7 C8 C12 134.3(5) . . . . ?
N4 C7 C8 C12 -44.7(6) . . . . ?
C8 N6 C9 C10 0.7(7) . . . . ?
Ag1 N6 C9 C10 177.2(4) 1_655 . . . ?
N6 C9 C10 C11 -1.3(8) . . . . ?
C9 C10 C11 C12 0.4(9) . . . . ?
C10 C11 C12 C8 0.9(8) . . . . ?
N6 C8 C12 C11 -1.6(7) . . . . ?
C7 C8 C12 C11 179.8(4) . . . . ?
C7 N4 C13 C14 131.3(4) . . . . ?
C6 N4 C13 C14 -47.8(6) . . . . ?
C7 N4 C13 C17 -49.6(6) . . . . ?
C6 N4 C13 C17 131.4(4) . . . . ?
C17 C13 C14 C15 -1.2(7) . . . . ?
N4 C13 C14 C15 178.0(4) . . . . ?
C16 N5 C15 C14 -1.5(7) . . . . ?
Ag1 N5 C15 C14 178.9(4) 2_556 . . . ?
C13 C14 C15 N5 2.8(7) . . . . ?
C15 N5 C16 C17 -1.5(7) . . . . ?
Ag1 N5 C16 C17 178.2(3) 2_556 . . . ?
C14 C13 C17 C16 -1.4(6) . . . . ?
N4 C13 C17 C16 179.4(4) . . . . ?
N5 C16 C17 C13 2.9(7) . . . . ?
O1 C18 C19 F2 176.1(10) . . . . ?
O2 C18 C19 F2 -1.2(11) . . . . ?
O1 C18 C19 F3' -10.2(14) . . . . ?
O2 C18 C19 F3' 172.5(9) . . . . ?
O1 C18 C19 F1' 117.6(10) . . . . ?
O2 C18 C19 F1' -59.6(9) . . . . ?
O1 C18 C19 F2' -136.7(10) . . . . ?
O2 C18 C19 F2' 46.0(9) . . . . ?
O1 C18 C19 F3 46.2(11) . . . . ?
O2 C18 C19 F3 -131.0(8) . . . . ?
O1 C18 C19 F1 -61.8(10) . . . . ?
O2 C18 C19 F1 120.9(7) . . . . ?

_refine_diff_density_max         1.696
_refine_diff_density_min         -0.896
_refine_diff_density_rms         0.103

####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 1506806'
_audit_update_record             
;
2016-09-27 deposited with the CCDC.
2017-07-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H15 Ag Cr N7 O3.50'
_chemical_formula_weight         557.25

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   10.1531(2)
_cell_length_b                   13.2623(4)
_cell_length_c                   15.5979(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.662(2)
_cell_angle_gamma                90
_cell_volume                     2090.07(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4386
_cell_measurement_theta_min      3.7850
_cell_measurement_theta_max      28.1120

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.771
_exptl_crystal_F_000             1108
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.496
_shelx_estimated_absorpt_T_min   0.706
_shelx_estimated_absorpt_T_max   0.754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7061
_exptl_absorpt_correction_T_max  0.7540
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8644
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_av_R_equivalents  0.0206
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.944
_diffrn_reflns_theta_max         25.001
_diffrn_reflns_theta_full        25.001
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             3660
_reflns_number_gt                3151
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0411P)²+4.2028P] 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         3660
_refine_ls_number_parameters     291
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0394
_refine_ls_wR_factor_ref         0.0985
_refine_ls_wR_factor_gt          0.0929
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.41818(3) 0.40386(3) 0.50713(2) 0.04061(13) Uani 1 1 d . . . . .
C1 C 0.1336(4) 0.3385(3) 0.4392(2) 0.0282(8) Uani 1 1 d . . . . .
C2 C 0.3089(4) 0.3874(3) 0.3812(2) 0.0262(8) Uani 1 1 d . . . . .
C3 C 0.1600(4) 0.2691(3) 0.2912(2) 0.0264(8) Uani 1 1 d . . . . .
C4 C 0.0433(4) 0.2890(3) 0.2416(3) 0.0387(10) Uani 1 1 d . . . . .
H4A H -0.0138 0.3392 0.2571 0.046 Uiso 1 1 calc R U . . .
C5 C 0.0135(4) 0.2320(3) 0.1683(3) 0.0380(10) Uani 1 1 d . . . . .
H5A H -0.0661 0.2440 0.1350 0.046 Uiso 1 1 calc R U . . .
C6 C 0.2051(4) 0.1426(3) 0.1925(2) 0.0315(9) Uani 1 1 d . . . . .
H6A H 0.2610 0.0925 0.1754 0.038 Uiso 1 1 calc R U . . .
C7 C 0.2422(4) 0.1943(3) 0.2677(2) 0.0291(8) Uani 1 1 d . . . . .
H7A H 0.3203 0.1788 0.3014 0.035 Uiso 1 1 calc R U . . .
C8 C 0.0096(4) 0.2865(3) 0.4531(2) 0.0312(8) Uani 1 1 d . . . . .
C9 C -0.0073(4) 0.1833(3) 0.4429(3) 0.0383(10) Uani 1 1 d . . . . .
H9A H 0.0605 0.1431 0.4259 0.046 Uiso 1 1 calc R U . . .
C10 C -0.1267(4) 0.1419(3) 0.4584(3) 0.0445(11) Uani 1 1 d . . . . .
H10A H -0.1408 0.0728 0.4525 0.053 Uiso 1 1 calc R U . . .
C11 C -0.2249(4) 0.2037(4) 0.4827(3) 0.0467(11) Uani 1 1 d . . . . .
H11A H -0.3053 0.1747 0.4929 0.056 Uiso 1 1 calc R U . . .
C12 C -0.0955(4) 0.3428(3) 0.4780(3) 0.0369(10) Uani 1 1 d . . . . .
H12A H -0.0840 0.4120 0.4849 0.044 Uiso 1 1 calc R U . . .
C13 C 0.4111(4) 0.4039(3) 0.3221(2) 0.0272(8) Uani 1 1 d . . . . .
C14 C 0.3826(4) 0.4160(3) 0.2343(3) 0.0358(9) Uani 1 1 d . . . . .
H14A H 0.2959 0.4115 0.2091 0.043 Uiso 1 1 calc R U . . .
C15 C 0.4848(5) 0.4350(4) 0.1849(3) 0.0487(12) Uani 1 1 d . . . . .
H15A H 0.4680 0.4422 0.1255 0.058 Uiso 1 1 calc R U . . .
C16 C 0.6116(5) 0.4432(4) 0.2238(3) 0.0518(12) Uani 1 1 d . . . . .
H16A H 0.6822 0.4559 0.1916 0.062 Uiso 1 1 calc R U . . .
C17 C 0.6314(4) 0.4319(4) 0.3122(3) 0.0465(11) Uani 1 1 d . . . . .
H17A H 0.7171 0.4381 0.3388 0.056 Uiso 1 1 calc R U . . .
C18 C 0.5644(7) 0.0837(5) 0.2060(5) 0.089(2) Uani 1 1 d . . . . .
C19 C 0.6412(12) 0.1679(9) 0.2385(13) 0.304(13) Uani 1 1 d . . . . .
H19A H 0.7305 0.1605 0.2242 0.457 Uiso 1 1 calc R U . . .
H19B H 0.6407 0.1712 0.2999 0.457 Uiso 1 1 calc R U . . .
H19C H 0.6040 0.2288 0.2131 0.457 Uiso 1 1 calc R U . . .
N1 N 0.1984(3) 0.4000(2) 0.4940(2) 0.0337(8) Uani 1 1 d . . . . .
N2 N 0.3092(3) 0.4314(2) 0.4566(2) 0.0328(7) Uani 1 1 d . . . . .
N3 N 0.1985(3) 0.3280(2) 0.36689(19) 0.0256(7) Uani 1 1 d . . . . .
N4 N 0.0930(3) 0.1611(2) 0.1428(2) 0.0316(7) Uani 1 1 d . . . . .
N5 N -0.2111(3) 0.3034(3) 0.4923(2) 0.0441(9) Uani 1 1 d . . . . .
N6 N 0.5341(3) 0.4126(2) 0.3613(2) 0.0331(8) Uani 1 1 d . . . . .
N7 N 0.5067(6) 0.0204(4) 0.1778(4) 0.0878(17) Uani 1 1 d . . . . .
Cr1 Cr 0.62395(7) 0.91908(6) 0.50880(5) 0.0433(2) Uani 1 1 d . . . . .
O1 O 0.5686(4) 0.8135(3) 0.5378(3) 0.0749(11) Uani 1 1 d . . . . .
O2 O 0.7349(4) 0.9609(3) 0.5774(3) 0.0859(13) Uani 1 1 d . . . . .
O3 O 0.5108(10) 0.9969(8) 0.4622(5) 0.104(3) Uani 0.5 1 d . . P . .
O4 O 0.6798(9) 0.9103(7) 0.4208(4) 0.231(6) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N4 2.278(3) 4_566 ?
Ag1 N6 2.281(3) 1_455 ?
Ag1 N2 2.488(3) 3_566 ?
Ag1 N5 2.519(3) . ?
Ag1 Ag1 3.0397(7) 3_466 ?
C1 N1 1.310(5) . ?
C1 N3 1.369(5) . ?
C1 C8 1.471(5) . ?
C2 N2 1.313(5) . ?
C2 N3 1.370(5) . ?
C2 C13 1.471(5) . ?
C3 C7 1.369(5) . ?
C3 C4 1.375(5) . ?
C3 N3 1.437(4) . ?
C4 C5 1.379(6) . ?
C4 H4A 0.9300 . ?
C5 N4 1.326(5) . ?
C5 H5A 0.9300 . ?
C6 N4 1.335(5) . ?
C6 C7 1.379(5) . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9300 . ?
C8 C9 1.388(6) . ?
C8 C12 1.388(6) . ?
C9 C10 1.374(6) . ?
C9 H9A 0.9300 . ?
C10 C11 1.373(6) . ?
C10 H10A 0.9300 . ?
C11 N5 1.337(6) . ?
C11 H11A 0.9300 . ?
C12 N5 1.324(5) . ?
C12 H12A 0.9300 . ?
C13 N6 1.341(5) . ?
C13 C14 1.380(5) . ?
C14 C15 1.375(6) . ?
C14 H14A 0.9300 . ?
C15 C16 1.373(6) . ?
C15 H15A 0.9300 . ?
C16 C17 1.381(6) . ?
C16 H16A 0.9300 . ?
C17 N6 1.333(5) . ?
C17 H17A 0.9300 . ?
C18 N7 1.092(8) . ?
C18 C19 1.426(11) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
N1 N2 1.382(5) . ?
N2 Ag1 2.488(3) 3_566 ?
N4 Ag1 2.278(3) 4_665 ?
N6 Ag1 2.281(3) 1_655 ?
Cr1 O4 1.541(5) . ?
Cr1 O2 1.576(4) . ?
Cr1 O1 1.591(4) . ?
Cr1 O3 1.658(8) . ?
Cr1 O3 1.855(8) 3_676 ?
O3 O3 1.223(16) 3_676 ?
O3 Cr1 1.855(8) 3_676 ?

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 N6 158.74(12) 4_566 1_455 ?
N4 Ag1 N2 98.08(11) 4_566 3_566 ?
N6 Ag1 N2 103.17(11) 1_455 3_566 ?
N4 Ag1 N5 85.40(12) 4_566 . ?
N6 Ag1 N5 91.86(12) 1_455 . ?
N2 Ag1 N5 97.39(12) 3_566 . ?
N4 Ag1 Ag1 111.21(8) 4_566 3_466 ?
N6 Ag1 Ag1 79.86(9) 1_455 3_466 ?
N2 Ag1 Ag1 60.51(8) 3_566 3_466 ?
N5 Ag1 Ag1 153.15(9) . 3_466 ?
N1 C1 N3 110.5(3) . . ?
N1 C1 C8 125.3(3) . . ?
N3 C1 C8 124.2(3) . . ?
N2 C2 N3 109.3(3) . . ?
N2 C2 C13 123.8(3) . . ?
N3 C2 C13 126.8(3) . . ?
C7 C3 C4 120.2(3) . . ?
C7 C3 N3 119.3(3) . . ?
C4 C3 N3 120.5(3) . . ?
C3 C4 C5 117.9(4) . . ?
C3 C4 H4A 121.1 . . ?
C5 C4 H4A 121.1 . . ?
N4 C5 C4 123.2(4) . . ?
N4 C5 H5A 118.4 . . ?
C4 C5 H5A 118.4 . . ?
N4 C6 C7 123.2(4) . . ?
N4 C6 H6A 118.4 . . ?
C7 C6 H6A 118.4 . . ?
C3 C7 C6 117.7(3) . . ?
C3 C7 H7A 121.1 . . ?
C6 C7 H7A 121.1 . . ?
C9 C8 C12 118.2(4) . . ?
C9 C8 C1 122.9(4) . . ?
C12 C8 C1 118.8(4) . . ?
C10 C9 C8 118.4(4) . . ?
C10 C9 H9A 120.8 . . ?
C8 C9 H9A 120.8 . . ?
C11 C10 C9 119.2(4) . . ?
C11 C10 H10A 120.4 . . ?
C9 C10 H10A 120.4 . . ?
N5 C11 C10 123.4(4) . . ?
N5 C11 H11A 118.3 . . ?
C10 C11 H11A 118.3 . . ?
N5 C12 C8 123.6(4) . . ?
N5 C12 H12A 118.2 . . ?
C8 C12 H12A 118.2 . . ?
N6 C13 C14 122.5(4) . . ?
N6 C13 C2 114.2(3) . . ?
C14 C13 C2 123.2(3) . . ?
C15 C14 C13 118.8(4) . . ?
C15 C14 H14A 120.6 . . ?
C13 C14 H14A 120.6 . . ?
C16 C15 C14 119.6(4) . . ?
C16 C15 H15A 120.2 . . ?
C14 C15 H15A 120.2 . . ?
C15 C16 C17 118.1(4) . . ?
C15 C16 H16A 121.0 . . ?
C17 C16 H16A 121.0 . . ?
N6 C17 C16 123.5(4) . . ?
N6 C17 H17A 118.3 . . ?
C16 C17 H17A 118.3 . . ?
N7 C18 C19 177.1(13) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C1 N1 N2 106.8(3) . . ?
C2 N2 N1 108.3(3) . . ?
C2 N2 Ag1 123.8(3) . 3_566 ?
N1 N2 Ag1 122.1(2) . 3_566 ?
C1 N3 C2 105.0(3) . . ?
C1 N3 C3 128.2(3) . . ?
C2 N3 C3 126.7(3) . . ?
C5 N4 C6 117.8(3) . . ?
C5 N4 Ag1 124.8(3) . 4_665 ?
C6 N4 Ag1 115.5(3) . 4_665 ?
C12 N5 C11 117.2(4) . . ?
C12 N5 Ag1 124.7(3) . . ?
C11 N5 Ag1 117.0(3) . . ?
C17 N6 C13 117.6(3) . . ?
C17 N6 Ag1 119.1(3) . 1_655 ?
C13 N6 Ag1 123.2(3) . 1_655 ?
O4 Cr1 O2 109.3(3) . . ?
O4 Cr1 O1 111.0(3) . . ?
O2 Cr1 O1 111.4(2) . . ?
O4 Cr1 O3 87.5(5) . . ?
O2 Cr1 O3 119.8(5) . . ?
O1 Cr1 O3 115.1(5) . . ?
O4 Cr1 O3 127.4(5) . 3_676 ?
O2 Cr1 O3 96.8(4) . 3_676 ?
O1 Cr1 O3 99.8(4) . 3_676 ?
O3 Cr1 O3 40.3(5) . 3_676 ?
O3 O3 Cr1 78.6(7) 3_676 . ?
O3 O3 Cr1 61.2(7) 3_676 3_676 ?
Cr1 O3 Cr1 139.7(5) . 3_676 ?

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
C7 C3 C4 C5 -0.6(6) . . . . ?
N3 C3 C4 C5 178.0(4) . . . . ?
C3 C4 C5 N4 -1.3(7) . . . . ?
C4 C3 C7 C6 1.7(6) . . . . ?
N3 C3 C7 C6 -176.9(3) . . . . ?
N4 C6 C7 C3 -1.1(6) . . . . ?
N1 C1 C8 C9 -128.2(4) . . . . ?
N3 C1 C8 C9 50.9(6) . . . . ?
N1 C1 C8 C12 51.5(6) . . . . ?
N3 C1 C8 C12 -129.4(4) . . . . ?
C12 C8 C9 C10 -0.4(6) . . . . ?
C1 C8 C9 C10 179.3(4) . . . . ?
C8 C9 C10 C11 0.5(7) . . . . ?
C9 C10 C11 N5 0.0(8) . . . . ?
C9 C8 C12 N5 -0.1(6) . . . . ?
C1 C8 C12 N5 -179.8(4) . . . . ?
N2 C2 C13 N6 38.3(5) . . . . ?
N3 C2 C13 N6 -143.8(4) . . . . ?
N2 C2 C13 C14 -137.6(4) . . . . ?
N3 C2 C13 C14 40.3(6) . . . . ?
N6 C13 C14 C15 1.9(6) . . . . ?
C2 C13 C14 C15 177.5(4) . . . . ?
C13 C14 C15 C16 -1.2(7) . . . . ?
C14 C15 C16 C17 0.0(8) . . . . ?
C15 C16 C17 N6 0.7(8) . . . . ?
N3 C1 N1 N2 0.3(4) . . . . ?
C8 C1 N1 N2 179.5(4) . . . . ?
N3 C2 N2 N1 0.9(4) . . . . ?
C13 C2 N2 N1 179.1(3) . . . . ?
N3 C2 N2 Ag1 -152.5(2) . . . 3_566 ?
C13 C2 N2 Ag1 25.7(5) . . . 3_566 ?
C1 N1 N2 C2 -0.7(4) . . . . ?
C1 N1 N2 Ag1 153.2(2) . . . 3_566 ?
N1 C1 N3 C2 0.3(4) . . . . ?
C8 C1 N3 C2 -179.0(3) . . . . ?
N1 C1 N3 C3 -178.9(3) . . . . ?
C8 C1 N3 C3 1.9(6) . . . . ?
N2 C2 N3 C1 -0.7(4) . . . . ?
C13 C2 N3 C1 -178.9(4) . . . . ?
N2 C2 N3 C3 178.5(3) . . . . ?
C13 C2 N3 C3 0.3(6) . . . . ?
C7 C3 N3 C1 -120.4(4) . . . . ?
C4 C3 N3 C1 61.0(5) . . . . ?
C7 C3 N3 C2 60.6(5) . . . . ?
C4 C3 N3 C2 -118.0(4) . . . . ?
C4 C5 N4 C6 1.9(6) . . . . ?
C4 C5 N4 Ag1 -161.7(3) . . . 4_665 ?
C7 C6 N4 C5 -0.7(6) . . . . ?
C7 C6 N4 Ag1 164.4(3) . . . 4_665 ?
C8 C12 N5 C11 0.5(6) . . . . ?
C8 C12 N5 Ag1 -166.7(3) . . . . ?
C10 C11 N5 C12 -0.5(7) . . . . ?
C10 C11 N5 Ag1 167.7(4) . . . . ?
C16 C17 N6 C13 0.0(7) . . . . ?
C16 C17 N6 Ag1 -177.0(4) . . . 1_655 ?
C14 C13 N6 C17 -1.3(6) . . . . ?
C2 C13 N6 C17 -177.2(4) . . . . ?
C14 C13 N6 Ag1 175.5(3) . . . 1_655 ?
C2 C13 N6 Ag1 -0.4(4) . . . 1_655 ?
O4 Cr1 O3 O3 -173.2(12) . . . 3_676 ?
O2 Cr1 O3 O3 -62.3(13) . . . 3_676 ?
O1 Cr1 O3 O3 74.8(12) . . . 3_676 ?
O4 Cr1 O3 Cr1 -173.2(12) . . . 3_676 ?
O2 Cr1 O3 Cr1 -62.3(13) . . . 3_676 ?
O1 Cr1 O3 Cr1 74.8(12) . . . 3_676 ?
O3 Cr1 O3 Cr1 0.001(0) 3_676 . . 3_676 ?

_refine_diff_density_max         1.469
_refine_diff_density_min         -1.337
_refine_diff_density_rms         0.085

