# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_d
_database_code_depnum_ccdc_archive 'CCDC 1457988'
_audit_update_record             
;
2016-03-06 deposited with the CCDC.
2016-05-04 downloaded from the CCDC.
;



_audit_creation_method           SHELXL-97

_chemical_name_systematic        
;

 ?

;

_chemical_name_common            ?

_chemical_melting_point          ?

_chemical_formula_moiety         ?

_chemical_formula_sum            'C18 H16 Ag2 N6 O6'

_chemical_formula_weight         628.11



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'



_symmetry_cell_setting           Monoclinic

_symmetry_space_group_name_H-M   P2(1)/c



loop_

_symmetry_equiv_pos_as_xyz




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



_cell_length_a                   8.888(4)

_cell_length_b                   16.396(8)

_cell_length_c                   14.795(7)

_cell_angle_alpha                90.00

_cell_angle_beta                 90.00

_cell_angle_gamma                90.00

_cell_volume                     2155.9(18)

_cell_formula_units_Z            4

_cell_measurement_temperature    296(2)

_cell_measurement_reflns_used    6599

_cell_measurement_theta_min      2.61

_cell_measurement_theta_max      28.14



_exptl_crystal_description       block

_exptl_crystal_colour            colourless

_exptl_crystal_size_max          0.25

_exptl_crystal_size_mid          0.23

_exptl_crystal_size_min          0.14

_exptl_crystal_density_meas      ?

_exptl_crystal_density_diffrn    1.935

_exptl_crystal_density_method    'not measured'

_exptl_crystal_F_000             1232

_exptl_absorpt_coefficient_mu    1.865

_exptl_absorpt_correction_type   multi-scan

_exptl_absorpt_correction_T_min  0.6529

_exptl_absorpt_correction_T_max  0.7803

_exptl_absorpt_process_details   sadabs



_exptl_special_details           
;

 ?

;



_diffrn_ambient_temperature      296(2)

_diffrn_radiation_wavelength     0.71073

_diffrn_radiation_type           MoK\a

_diffrn_radiation_source         'fine-focus sealed tube'

_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'CCD area detector'

_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean ?

_diffrn_standards_number         0

_diffrn_standards_interval_count ?

_diffrn_standards_interval_time  ?

_diffrn_standards_decay_%        ?

_diffrn_reflns_number            15744

_diffrn_reflns_av_R_equivalents  0.0532

_diffrn_reflns_av_sigmaI/netI    0.0352

_diffrn_reflns_limit_h_min       -10

_diffrn_reflns_limit_h_max       10

_diffrn_reflns_limit_k_min       -19

_diffrn_reflns_limit_k_max       19

_diffrn_reflns_limit_l_min       -17

_diffrn_reflns_limit_l_max       17

_diffrn_reflns_theta_min         2.48

_diffrn_reflns_theta_max         25.49

_reflns_number_total             4005

_reflns_number_gt                3251

_reflns_threshold_expression     >2sigma(I)



_computing_data_collection       'Bruker SMART'

_computing_cell_refinement       'Bruker SMART'

_computing_data_reduction        'Bruker SAINT'

_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'

_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'

_computing_molecular_graphics    'Bruker SHELXTL'

_computing_publication_material  'Bruker SHELXTL'



_refine_special_details          
;

 Refinement of F² against ALL reflections.  The weighted R-factor wR and

 goodness of fit S are based on F², conventional R-factors R are based

 on F, with F set to zero for negative F². The threshold expression of

 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is

 not relevant to the choice of reflections for refinement.  R-factors based

 on F² are statistically about twice as large as those based on F, and R-

 factors based on ALL data will be even larger.

;



_refine_ls_structure_factor_coef Fsqd

_refine_ls_matrix_type           full

_refine_ls_weighting_scheme      calc

_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0641P)²+0.1851P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_primary     direct

_atom_sites_solution_secondary   difmap

_atom_sites_solution_hydrogens   geom

_refine_ls_hydrogen_treatment    constr

_refine_ls_extinction_method     none

_refine_ls_extinction_coef       ?

_refine_ls_number_reflns         4005

_refine_ls_number_parameters     284

_refine_ls_number_restraints     0

_refine_ls_R_factor_all          0.0420

_refine_ls_R_factor_gt           0.0349

_refine_ls_wR_factor_ref         0.1084

_refine_ls_wR_factor_gt          0.1039

_refine_ls_goodness_of_fit_ref   1.085

_refine_ls_restrained_S_all      1.085

_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_symmetry_multiplicity

_atom_site_calc_flag

_atom_site_refinement_flags

_atom_site_disorder_assembly

_atom_site_disorder_group
















































Ag1 Ag 0.00149(4) 0.10183(2) -0.04622(2) 0.05876(15) Uani 1 1 d . . .
Ag2 Ag 0.66189(4) 0.474884(19) 0.57005(2) 0.05001(14) Uani 1 1 d . . .
N1 N 0.1507(4) 0.0737(2) 0.0744(2) 0.0418(8) Uani 1 1 d . . .
N2 N 0.1661(4) -0.0073(2) 0.0999(2) 0.0430(8) Uani 1 1 d . . .
N3 N 0.3048(3) 0.06724(18) 0.1899(2) 0.0342(7) Uani 1 1 d . . .
N4 N 0.4866(4) 0.26874(18) 0.4086(2) 0.0364(7) Uani 1 1 d . . .
N5 N 0.5533(4) 0.3767(2) 0.4856(2) 0.0464(8) Uani 1 1 d . . .
N6 N 0.4329(4) 0.39756(19) 0.4308(2) 0.0438(8) Uani 1 1 d . . .
O1 O -0.0210(5) 0.2325(2) -0.0941(3) 0.0848(13) Uani 1 1 d . . .
O2 O 0.1188(5) 0.2690(2) 0.0207(2) 0.0778(12) Uani 1 1 d . . .
O3 O -0.1801(4) 0.43286(19) -0.3213(2) 0.0548(8) Uani 1 1 d . . .
O4 O -0.1500(4) 0.56427(19) -0.2946(2) 0.0603(8) Uani 1 1 d . . .
O5 O 0.1568(5) 0.7729(2) 0.8751(3) 0.0809(11) Uani 1 1 d . . .
H1W H 0.1685 0.8205 0.8563 0.121 Uiso 1 1 d R . .
H2W H 0.0653 0.7640 0.8831 0.121 Uiso 1 1 d R . .
C1 C 0.0578(4) 0.3689(2) -0.0877(3) 0.0351(8) Uani 1 1 d . . .
C2 C -0.0308(4) 0.3902(2) -0.1614(3) 0.0369(8) Uani 1 1 d . . .
H2 H -0.0901 0.3506 -0.1890 0.044 Uiso 1 1 calc R . .
C3 C -0.0326(4) 0.4695(2) -0.1949(3) 0.0379(9) Uani 1 1 d . . .
C4 C 0.0581(5) 0.5279(2) -0.1542(3) 0.0413(9) Uani 1 1 d . . .
H4 H 0.0575 0.5813 -0.1755 0.050 Uiso 1 1 calc R . .
C5 C 0.1488(5) 0.5069(3) -0.0825(3) 0.0445(10) Uani 1 1 d . . .
H5 H 0.2106 0.5462 -0.0564 0.053 Uiso 1 1 calc R . .
C6 C 0.1495(4) 0.4288(2) -0.0488(3) 0.0408(9) Uani 1 1 d . . .
H6 H 0.2110 0.4157 -0.0001 0.049 Uiso 1 1 calc R . .
C7 C 0.0535(5) 0.2844(2) -0.0513(3) 0.0467(10) Uani 1 1 d . . .
C8 C -0.1279(5) 0.4911(3) -0.2760(3) 0.0435(9) Uani 1 1 d . . .
C9 C 0.3996(4) 0.0895(2) 0.2644(2) 0.0344(8) Uani 1 1 d . . .
C10 C 0.3980(4) 0.1681(2) 0.2976(2) 0.0342(8) Uani 1 1 d . . .
H10 H 0.3389 0.2079 0.2703 0.041 Uiso 1 1 calc R . .
C11 C 0.4859(4) 0.1870(2) 0.3722(3) 0.0381(9) Uani 1 1 d . . .
C12 C 0.5726(5) 0.1283(3) 0.4134(3) 0.0567(12) Uani 1 1 d . . .
H12 H 0.6291 0.1408 0.4645 0.068 Uiso 1 1 calc R . .
C13 C 0.5743(5) 0.0496(3) 0.3775(3) 0.0603(13) Uani 1 1 d . . .
H13 H 0.6338 0.0097 0.4044 0.072 Uiso 1 1 calc R . .
C14 C 0.4900(5) 0.0302(3) 0.3034(3) 0.0505(11) Uani 1 1 d . . .
H14 H 0.4931 -0.0221 0.2794 0.061 Uiso 1 1 calc R . .
C15 C 0.2577(5) -0.0092(2) 0.1678(3) 0.0401(9) Uani 1 1 d . . .
H15 H 0.2874 -0.0565 0.1975 0.048 Uiso 1 1 calc R . .
C16 C 0.2345(5) 0.1168(2) 0.1291(3) 0.0430(9) Uani 1 1 d . . .
H16 H 0.2447 0.1732 0.1268 0.052 Uiso 1 1 calc R . .
C17 C 0.3959(5) 0.3309(2) 0.3859(3) 0.0451(10) Uani 1 1 d . . .
H17 H 0.3177 0.3274 0.3443 0.054 Uiso 1 1 calc R . .
C18 C 0.5823(5) 0.3001(2) 0.4714(3) 0.0479(10) Uani 1 1 d . . .
H18 H 0.6580 0.2708 0.5002 0.058 Uiso 1 1 calc R . .
O6 O 0.2582(5) 0.3247(3) 0.1717(3) 0.1063(15) Uiso 1 1 d . . .
H3W H 0.2279 0.3552 0.2126 0.159 Uiso 1 1 d R . .
H4W H 0.1909 0.3160 0.1340 0.159 Uiso 1 1 d R . .






_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 O1 2.266(3) . ?
Ag1 N1 2.270(3) . ?
Ag1 N2 2.292(3) 3 ?
Ag2 O3 2.243(3) 1_656 ?
Ag2 N5 2.255(3) . ?
Ag2 N6 2.255(3) 3_666 ?
N1 C16 1.308(5) . ?
N1 N2 1.387(5) . ?
N2 C15 1.293(5) . ?
N2 Ag1 2.292(3) 3 ?
N3 C15 1.362(5) . ?
N3 C16 1.364(5) . ?
N3 C9 1.435(5) . ?
N4 C17 1.342(5) . ?
N4 C18 1.361(5) . ?
N4 C11 1.444(5) . ?
N5 C18 1.299(5) . ?
N5 N6 1.386(5) . ?
N6 C17 1.320(5) . ?
N6 Ag2 2.255(3) 3_666 ?
O1 C7 1.251(5) . ?
O2 C7 1.238(5) . ?
O3 C8 1.256(5) . ?
O3 Ag2 2.243(3) 1_454 ?
O4 C8 1.246(5) . ?
O5 H1W 0.8365 . ?
O5 H2W 0.8347 . ?
C1 C2 1.391(5) . ?
C1 C6 1.399(5) . ?
C1 C7 1.487(5) . ?
C2 C3 1.391(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.389(6) . ?
C3 C8 1.512(6) . ?
C4 C5 1.376(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.375(6) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C9 C10 1.379(5) . ?
C9 C14 1.387(6) . ?
C10 C11 1.387(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.376(6) . ?
C12 C13 1.396(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.365(6) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
O6 H3W 0.8308 . ?
O6 H4W 0.8303 . ?



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 Ag1 N1 119.31(12) . . ?
O1 Ag1 N2 118.30(13) . 3 ?
N1 Ag1 N2 120.96(13) . 3 ?
O3 Ag2 N5 116.46(12) 1_656 . ?
O3 Ag2 N6 121.51(12) 1_656 3_666 ?
N5 Ag2 N6 119.98(13) . 3_666 ?
C16 N1 N2 107.0(3) . . ?
C16 N1 Ag1 135.2(3) . . ?
N2 N1 Ag1 117.8(2) . . ?
C15 N2 N1 107.3(3) . . ?
C15 N2 Ag1 131.4(3) . 3 ?
N1 N2 Ag1 119.3(2) . 3 ?
C15 N3 C16 104.4(3) . . ?
C15 N3 C9 126.9(3) . . ?
C16 N3 C9 128.6(3) . . ?
C17 N4 C18 105.0(3) . . ?
C17 N4 C11 127.5(3) . . ?
C18 N4 C11 127.4(3) . . ?
C18 N5 N6 107.3(3) . . ?
C18 N5 Ag2 134.0(3) . . ?
N6 N5 Ag2 118.6(2) . . ?
C17 N6 N5 106.3(3) . . ?
C17 N6 Ag2 132.3(3) . 3_666 ?
N5 N6 Ag2 121.4(2) . 3_666 ?
C7 O1 Ag1 116.0(3) . . ?
C8 O3 Ag2 112.3(3) . 1_454 ?
H1W O5 H2W 109.4 . . ?
C2 C1 C6 118.5(3) . . ?
C2 C1 C7 120.2(3) . . ?
C6 C1 C7 121.3(3) . . ?
C1 C2 C3 121.3(3) . . ?
C1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
C4 C3 C2 119.0(4) . . ?
C4 C3 C8 120.4(3) . . ?
C2 C3 C8 120.6(3) . . ?
C5 C4 C3 120.1(4) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 121.0(4) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 120.2(4) . . ?
C5 C6 H6 119.9 . . ?
C1 C6 H6 119.9 . . ?
O2 C7 O1 123.0(4) . . ?
O2 C7 C1 119.3(4) . . ?
O1 C7 C1 117.7(4) . . ?
O4 C8 O3 123.8(4) . . ?
O4 C8 C3 119.3(4) . . ?
O3 C8 C3 116.9(4) . . ?
C10 C9 C14 120.9(4) . . ?
C10 C9 N3 120.4(3) . . ?
C14 C9 N3 118.8(3) . . ?
C9 C10 C11 119.1(3) . . ?
C9 C10 H10 120.5 . . ?
C11 C10 H10 120.5 . . ?
C12 C11 C10 120.8(4) . . ?
C12 C11 N4 118.8(4) . . ?
C10 C11 N4 120.4(3) . . ?
C11 C12 C13 119.0(4) . . ?
C11 C12 H12 120.5 . . ?
C13 C12 H12 120.5 . . ?
C14 C13 C12 121.0(4) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C13 C14 C9 119.3(4) . . ?
C13 C14 H14 120.4 . . ?
C9 C14 H14 120.4 . . ?
N2 C15 N3 111.0(3) . . ?
N2 C15 H15 124.5 . . ?
N3 C15 H15 124.5 . . ?
N1 C16 N3 110.3(4) . . ?
N1 C16 H16 124.8 . . ?
N3 C16 H16 124.8 . . ?
N6 C17 N4 110.7(3) . . ?
N6 C17 H17 124.6 . . ?
N4 C17 H17 124.6 . . ?
N5 C18 N4 110.6(4) . . ?
N5 C18 H18 124.7 . . ?
N4 C18 H18 124.7 . . ?
H3W O6 H4W 111.1 . . ?



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










































































O1 Ag1 N1 C16 0.5(5) . . . . ?
N2 Ag1 N1 C16 -165.6(4) 3 . . . ?
O1 Ag1 N1 N2 -177.8(3) . . . . ?
N2 Ag1 N1 N2 16.1(4) 3 . . . ?
C16 N1 N2 C15 -0.2(5) . . . . ?
Ag1 N1 N2 C15 178.5(3) . . . . ?
C16 N1 N2 Ag1 165.4(3) . . . 3 ?
Ag1 N1 N2 Ag1 -15.9(4) . . . 3 ?
O3 Ag2 N5 C18 -17.2(5) 1_656 . . . ?
N6 Ag2 N5 C18 178.9(4) 3_666 . . . ?
O3 Ag2 N5 N6 166.9(3) 1_656 . . . ?
N6 Ag2 N5 N6 3.0(4) 3_666 . . . ?
C18 N5 N6 C17 0.0(5) . . . . ?
Ag2 N5 N6 C17 176.9(3) . . . . ?
C18 N5 N6 Ag2 -179.9(3) . . . 3_666 ?
Ag2 N5 N6 Ag2 -3.0(4) . . . 3_666 ?
N1 Ag1 O1 C7 0.9(5) . . . . ?
N2 Ag1 O1 C7 167.3(4) 3 . . . ?
C6 C1 C2 C3 -1.8(6) . . . . ?
C7 C1 C2 C3 177.8(4) . . . . ?
C1 C2 C3 C4 1.0(6) . . . . ?
C1 C2 C3 C8 179.1(4) . . . . ?
C2 C3 C4 C5 0.5(6) . . . . ?
C8 C3 C4 C5 -177.5(4) . . . . ?
C3 C4 C5 C6 -1.2(7) . . . . ?
C4 C5 C6 C1 0.4(6) . . . . ?
C2 C1 C6 C5 1.1(6) . . . . ?
C7 C1 C6 C5 -178.5(4) . . . . ?
Ag1 O1 C7 O2 -10.2(7) . . . . ?
Ag1 O1 C7 C1 172.2(3) . . . . ?
C2 C1 C7 O2 -171.4(4) . . . . ?
C6 C1 C7 O2 8.3(7) . . . . ?
C2 C1 C7 O1 6.4(7) . . . . ?
C6 C1 C7 O1 -174.0(4) . . . . ?
Ag2 O3 C8 O4 -6.3(6) 1_454 . . . ?
Ag2 O3 C8 C3 173.9(3) 1_454 . . . ?
C4 C3 C8 O4 -15.2(6) . . . . ?
C2 C3 C8 O4 166.7(4) . . . . ?
C4 C3 C8 O3 164.6(4) . . . . ?
C2 C3 C8 O3 -13.5(6) . . . . ?
C15 N3 C9 C10 -157.9(4) . . . . ?
C16 N3 C9 C10 17.7(6) . . . . ?
C15 N3 C9 C14 20.8(6) . . . . ?
C16 N3 C9 C14 -163.6(4) . . . . ?
C14 C9 C10 C11 -1.4(6) . . . . ?
N3 C9 C10 C11 177.2(3) . . . . ?
C9 C10 C11 C12 -0.7(6) . . . . ?
C9 C10 C11 N4 -179.9(3) . . . . ?
C17 N4 C11 C12 -170.3(4) . . . . ?
C18 N4 C11 C12 11.8(6) . . . . ?
C17 N4 C11 C10 8.9(6) . . . . ?
C18 N4 C11 C10 -169.0(4) . . . . ?
C10 C11 C12 C13 1.9(7) . . . . ?
N4 C11 C12 C13 -178.9(4) . . . . ?
C11 C12 C13 C14 -1.0(8) . . . . ?
C12 C13 C14 C9 -1.0(8) . . . . ?
C10 C9 C14 C13 2.3(7) . . . . ?
N3 C9 C14 C13 -176.4(4) . . . . ?
N1 N2 C15 N3 0.3(5) . . . . ?
Ag1 N2 C15 N3 -162.9(3) 3 . . . ?
C16 N3 C15 N2 -0.3(4) . . . . ?
C9 N3 C15 N2 176.1(3) . . . . ?
N2 N1 C16 N3 0.0(5) . . . . ?
Ag1 N1 C16 N3 -178.4(3) . . . . ?
C15 N3 C16 N1 0.2(5) . . . . ?
C9 N3 C16 N1 -176.2(3) . . . . ?
N5 N6 C17 N4 -0.4(5) . . . . ?
Ag2 N6 C17 N4 179.5(3) 3_666 . . . ?
C18 N4 C17 N6 0.7(5) . . . . ?
C11 N4 C17 N6 -177.6(4) . . . . ?
N6 N5 C18 N4 0.4(5) . . . . ?
Ag2 N5 C18 N4 -175.8(3) . . . . ?
C17 N4 C18 N5 -0.7(5) . . . . ?
C11 N4 C18 N5 177.6(4) . . . . ?



loop_

_geom_hbond_atom_site_label_D

_geom_hbond_atom_site_label_H

_geom_hbond_atom_site_label_A

_geom_hbond_distance_DH

_geom_hbond_distance_HA

_geom_hbond_distance_DA

_geom_hbond_angle_DHA

_geom_hbond_site_symmetry_A




O6 H3W O4 0.83 1.92 2.747(6) 172.3 3_565
O6 H4W O2 0.83 1.95 2.713(6) 151.7 .
O5 H2W O2 0.83 2.24 2.975(6) 147.8 3_566
O5 H1W O3 0.84 1.92 2.749(5) 174.3 2



_diffrn_measured_fraction_theta_max 0.999

_diffrn_reflns_theta_full        25.49

_diffrn_measured_fraction_theta_full 0.999

_refine_diff_density_max         1.254

_refine_diff_density_min         -0.767

_refine_diff_density_rms         0.090

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.363 0.820 0.292 26 13 ' '
2 0.363 0.680 0.792 26 13 ' '
3 0.636 0.320 0.208 26 13 ' '
4 0.636 0.180 0.708 26 13 ' '
_platon_squeeze_detail           
;
;
####################################################################### 
# 
# 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_b
_database_code_depnum_ccdc_archive 'CCDC 1457991'
_audit_update_record             
;
2016-03-06 deposited with the CCDC.
2016-05-04 downloaded from the CCDC.
;



_audit_creation_method           SHELXL-97

_chemical_name_systematic        
;

 ?

;

_chemical_name_common            ?

_chemical_melting_point          ?

_chemical_formula_moiety         ?

_chemical_formula_sum            'C19 H12 Ag2 N6 O6'

_chemical_formula_weight         636.09



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'



_symmetry_cell_setting           Monoclinic

_symmetry_space_group_name_H-M   P2(1)/n



loop_

_symmetry_equiv_pos_as_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                   13.3465(17)

_cell_length_b                   7.1935(9)

_cell_length_c                   19.632(3)

_cell_angle_alpha                90.00

_cell_angle_beta                 102.6940(10)

_cell_angle_gamma                90.00

_cell_volume                     1838.8(4)

_cell_formula_units_Z            4

_cell_measurement_temperature    296(2)

_cell_measurement_reflns_used    2557

_cell_measurement_theta_min      3.02

_cell_measurement_theta_max      25.81



_exptl_crystal_description       block

_exptl_crystal_colour            colourless

_exptl_crystal_size_max          0.26

_exptl_crystal_size_mid          0.21

_exptl_crystal_size_min          0.17

_exptl_crystal_density_meas      ?

_exptl_crystal_density_diffrn    2.298

_exptl_crystal_density_method    'not measured'

_exptl_crystal_F_000             1240

_exptl_absorpt_coefficient_mu    2.188

_exptl_absorpt_correction_type   multi-scan

_exptl_absorpt_correction_T_min  0.6000

_exptl_absorpt_correction_T_max  0.7074

_exptl_absorpt_process_details   sadabs



_exptl_special_details           
;

 ?

;



_diffrn_ambient_temperature      296(2)

_diffrn_radiation_wavelength     0.71073

_diffrn_radiation_type           MoK\a

_diffrn_radiation_source         'fine-focus sealed tube'

_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'CCD area detector'

_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean ?

_diffrn_standards_number         0

_diffrn_standards_interval_count ?

_diffrn_standards_interval_time  ?

_diffrn_standards_decay_%        ?

_diffrn_reflns_number            9494

_diffrn_reflns_av_R_equivalents  0.0296

_diffrn_reflns_av_sigmaI/netI    0.0355

_diffrn_reflns_limit_h_min       -15

_diffrn_reflns_limit_h_max       16

_diffrn_reflns_limit_k_min       -8

_diffrn_reflns_limit_k_max       8

_diffrn_reflns_limit_l_min       -18

_diffrn_reflns_limit_l_max       23

_diffrn_reflns_theta_min         3.02

_diffrn_reflns_theta_max         25.50

_reflns_number_total             3405

_reflns_number_gt                2628

_reflns_threshold_expression     >2sigma(I)



_computing_data_collection       'Bruker SMART'

_computing_cell_refinement       'Bruker SMART'

_computing_data_reduction        'Bruker SAINT'

_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'

_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'

_computing_molecular_graphics    'Bruker SHELXTL'

_computing_publication_material  'Bruker SHELXTL'



_refine_special_details          
;

 Refinement of F² against ALL reflections.  The weighted R-factor wR and

 goodness of fit S are based on F², conventional R-factors R are based

 on F, with F set to zero for negative F². The threshold expression of

 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is

 not relevant to the choice of reflections for refinement.  R-factors based

 on F² are statistically about twice as large as those based on F, and R-

 factors based on ALL data will be even larger.

;



_refine_ls_structure_factor_coef Fsqd

_refine_ls_matrix_type           full

_refine_ls_weighting_scheme      calc

_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0380P)²+1.7510P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_primary     direct

_atom_sites_solution_secondary   difmap

_atom_sites_solution_hydrogens   geom

_refine_ls_hydrogen_treatment    constr

_refine_ls_extinction_method     none

_refine_ls_extinction_coef       ?

_refine_ls_number_reflns         3405

_refine_ls_number_parameters     299

_refine_ls_number_restraints     0

_refine_ls_R_factor_all          0.0481

_refine_ls_R_factor_gt           0.0322

_refine_ls_wR_factor_ref         0.0813

_refine_ls_wR_factor_gt          0.0713

_refine_ls_goodness_of_fit_ref   1.007

_refine_ls_restrained_S_all      1.007

_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_symmetry_multiplicity

_atom_site_calc_flag

_atom_site_refinement_flags

_atom_site_disorder_assembly

_atom_site_disorder_group













































Ag1 Ag 0.11943(3) 0.58444(6) 0.24200(2) 0.05052(14) Uani 1 1 d . . .
Ag2 Ag 0.21369(2) 0.28914(6) 0.09928(2) 0.04734(14) Uani 1 1 d . . .
N1 N 0.0182(2) 0.4797(5) 0.14339(18) 0.0300(8) Uani 1 1 d . . .
N2 N 0.0542(2) 0.3863(5) 0.09158(19) 0.0307(8) Uani 1 1 d . . .
N3 N -0.1140(2) 0.3670(5) 0.06924(17) 0.0230(7) Uani 1 1 d . . .
N4 N -0.4683(2) 0.2444(5) 0.08258(18) 0.0276(8) Uani 1 1 d . . .
N5 N -0.5532(3) 0.1824(5) 0.16349(19) 0.0330(9) Uani 1 1 d . . .
N6 N -0.6209(3) 0.2551(5) 0.1059(2) 0.0327(9) Uani 1 1 d . . .
O1 O 0.2872(2) 0.5383(5) 0.31117(18) 0.0528(9) Uani 1 1 d . . .
O2 O 0.2916(3) 0.5942(7) 0.2019(2) 0.0751(14) Uani 1 1 d . . .
O3 O 0.6382(2) 0.7217(5) 0.14574(16) 0.0380(8) Uani 1 1 d . . .
H3A H 0.6813 0.7475 0.1232 0.057 Uiso 1 1 calc R . .
O4 O 0.7744(2) 0.6051(4) 0.21884(16) 0.0377(8) Uani 1 1 d . . .
O5 O 0.7502(2) 0.2936(4) 0.43719(15) 0.0373(7) Uani 1 1 d . . .
O6 O 0.6153(2) 0.3676(5) 0.47934(16) 0.0447(8) Uani 1 1 d . . .
C1 C -0.2168(3) 0.3148(5) 0.0361(2) 0.0247(9) Uani 1 1 d . . .
C2 C -0.2397(3) 0.2702(6) -0.0339(2) 0.0309(10) Uani 1 1 d . . .
H2 H -0.1895 0.2781 -0.0600 0.037 Uiso 1 1 calc R . .
C3 C -0.3385(3) 0.2136(6) -0.0650(2) 0.0338(10) Uani 1 1 d . . .
H3 H -0.3542 0.1814 -0.1120 0.041 Uiso 1 1 calc R . .
C4 C -0.4137(3) 0.2046(6) -0.0267(2) 0.0319(10) Uani 1 1 d . . .
H4 H -0.4798 0.1663 -0.0477 0.038 Uiso 1 1 calc R . .
C5 C -0.3896(3) 0.2533(5) 0.0433(2) 0.0251(9) Uani 1 1 d . . .
C6 C -0.2909(3) 0.3077(5) 0.0756(2) 0.0244(9) Uani 1 1 d . . .
H6 H -0.2748 0.3387 0.1228 0.029 Uiso 1 1 calc R . .
C7 C -0.0816(3) 0.4644(6) 0.1282(2) 0.0294(10) Uani 1 1 d . . .
H7 H -0.1246 0.5146 0.1547 0.035 Uiso 1 1 calc R . .
C8 C -0.0271(3) 0.3191(6) 0.0481(2) 0.0273(9) Uani 1 1 d . . .
H8 H -0.0253 0.2490 0.0085 0.033 Uiso 1 1 calc R . .
C9 C -0.4631(3) 0.1780(6) 0.1480(2) 0.0307(10) Uani 1 1 d . . .
H9 H -0.4034 0.1353 0.1777 0.037 Uiso 1 1 calc R . .
C10 C -0.5684(3) 0.2892(6) 0.0590(2) 0.0312(10) Uani 1 1 d . . .
H10 H -0.5958 0.3381 0.0150 0.037 Uiso 1 1 calc R . .
C11 C 0.4500(3) 0.5438(6) 0.2816(2) 0.0295(10) Uani 1 1 d . . .
C12 C 0.5093(3) 0.6022(6) 0.2349(2) 0.0296(10) Uani 1 1 d . . .
H12 H 0.4771 0.6540 0.1923 0.036 Uiso 1 1 calc R . .
C13 C 0.6148(3) 0.5837(5) 0.2513(2) 0.0258(9) Uani 1 1 d . . .
C14 C 0.6624(3) 0.5017(6) 0.3139(2) 0.0261(9) Uani 1 1 d . . .
H14 H 0.7332 0.4848 0.3240 0.031 Uiso 1 1 calc R . .
C15 C 0.6064(3) 0.4443(6) 0.3618(2) 0.0270(9) Uani 1 1 d . . .
C16 C 0.4998(3) 0.4692(6) 0.3455(2) 0.0287(10) Uani 1 1 d . . .
H16 H 0.4617 0.4354 0.3779 0.034 Uiso 1 1 calc R . .
C17 C 0.3345(3) 0.5618(6) 0.2634(3) 0.0359(11) Uani 1 1 d . . .
C18 C 0.6822(3) 0.6399(6) 0.2029(2) 0.0284(9) Uani 1 1 d . . .
C19 C 0.6600(3) 0.3634(6) 0.4309(2) 0.0312(10) 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 N1 2.234(3) . ?
Ag1 N5 2.333(4) 2_455 ?
Ag1 O1 2.374(3) . ?
Ag1 O2 2.588(3) . ?
Ag2 N6 2.197(3) 1_655 ?
Ag2 N2 2.214(3) . ?
Ag2 O1 2.521(4) 2_545 ?
N1 C7 1.303(5) . ?
N1 N2 1.390(5) . ?
N2 C8 1.316(5) . ?
N3 C7 1.341(5) . ?
N3 C8 1.360(5) . ?
N3 C1 1.434(5) . ?
N4 C10 1.352(5) . ?
N4 C9 1.358(5) . ?
N4 C5 1.435(5) . ?
N5 C9 1.304(5) . ?
N5 N6 1.386(5) . ?
N5 Ag1 2.333(4) 2_445 ?
N6 C10 1.296(5) . ?
N6 Ag2 2.197(3) 1_455 ?
O1 C17 1.251(6) . ?
O1 Ag2 2.521(4) 2 ?
O2 C17 1.240(6) . ?
O3 C18 1.288(5) . ?
O3 H3A 0.8200 . ?
O4 C18 1.226(5) . ?
O5 C19 1.285(5) . ?
O6 C19 1.229(5) . ?
C1 C2 1.378(6) . ?
C1 C6 1.386(5) . ?
C2 C3 1.386(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.382(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.385(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.388(5) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C16 1.392(6) . ?
C11 C12 1.400(6) . ?
C11 C17 1.510(6) . ?
C12 C13 1.380(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.386(6) . ?
C13 C18 1.501(5) . ?
C14 C15 1.385(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.399(5) . ?
C15 C19 1.505(6) . ?
C16 H16 0.9300 . ?



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

























































































N1 Ag1 N5 121.89(12) . 2_455 ?
N1 Ag1 O1 139.77(12) . . ?
N5 Ag1 O1 93.56(12) 2_455 . ?
N1 Ag1 O2 98.85(13) . . ?
N5 Ag1 O2 138.65(14) 2_455 . ?
O1 Ag1 O2 52.31(12) . . ?
N6 Ag2 N2 167.97(13) 1_655 . ?
N6 Ag2 O1 92.19(12) 1_655 2_545 ?
N2 Ag2 O1 96.98(11) . 2_545 ?
C7 N1 N2 106.9(3) . . ?
C7 N1 Ag1 128.3(3) . . ?
N2 N1 Ag1 123.8(2) . . ?
C8 N2 N1 106.6(3) . . ?
C8 N2 Ag2 124.8(3) . . ?
N1 N2 Ag2 125.8(3) . . ?
C7 N3 C8 105.1(3) . . ?
C7 N3 C1 128.6(3) . . ?
C8 N3 C1 126.2(3) . . ?
C10 N4 C9 104.4(3) . . ?
C10 N4 C5 126.1(4) . . ?
C9 N4 C5 129.3(3) . . ?
C9 N5 N6 106.7(3) . . ?
C9 N5 Ag1 135.1(3) . 2_445 ?
N6 N5 Ag1 118.1(2) . 2_445 ?
C10 N6 N5 107.1(3) . . ?
C10 N6 Ag2 129.1(3) . 1_455 ?
N5 N6 Ag2 123.8(3) . 1_455 ?
C17 O1 Ag1 96.9(3) . . ?
C17 O1 Ag2 120.4(3) . 2 ?
Ag1 O1 Ag2 98.64(12) . 2 ?
C17 O2 Ag1 87.1(3) . . ?
C18 O3 H3A 109.5 . . ?
C2 C1 C6 121.3(4) . . ?
C2 C1 N3 119.7(3) . . ?
C6 C1 N3 119.0(4) . . ?
C1 C2 C3 119.3(4) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 H2 120.4 . . ?
C4 C3 C2 120.5(4) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C5 C4 C3 119.4(4) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C4 C5 C6 121.0(4) . . ?
C4 C5 N4 119.0(3) . . ?
C6 C5 N4 120.0(4) . . ?
C1 C6 C5 118.5(4) . . ?
C1 C6 H6 120.8 . . ?
C5 C6 H6 120.8 . . ?
N1 C7 N3 111.2(3) . . ?
N1 C7 H7 124.4 . . ?
N3 C7 H7 124.4 . . ?
N2 C8 N3 110.2(4) . . ?
N2 C8 H8 124.9 . . ?
N3 C8 H8 124.9 . . ?
N5 C9 N4 110.7(4) . . ?
N5 C9 H9 124.7 . . ?
N4 C9 H9 124.7 . . ?
N6 C10 N4 111.1(4) . . ?
N6 C10 H10 124.5 . . ?
N4 C10 H10 124.5 . . ?
C16 C11 C12 118.7(4) . . ?
C16 C11 C17 120.4(4) . . ?
C12 C11 C17 120.9(4) . . ?
C13 C12 C11 120.8(4) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C12 C13 C14 119.5(4) . . ?
C12 C13 C18 123.3(4) . . ?
C14 C13 C18 117.1(4) . . ?
C13 C14 C15 121.2(4) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C14 C15 C16 118.7(4) . . ?
C14 C15 C19 120.4(4) . . ?
C16 C15 C19 120.9(4) . . ?
C11 C16 C15 121.0(4) . . ?
C11 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
O2 C17 O1 123.6(4) . . ?
O2 C17 C11 118.4(4) . . ?
O1 C17 C11 118.0(4) . . ?
O4 C18 O3 123.8(4) . . ?
O4 C18 C13 119.3(4) . . ?
O3 C18 C13 116.9(4) . . ?
O6 C19 O5 122.6(4) . . ?
O6 C19 C15 118.2(4) . . ?
O5 C19 C15 119.2(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



























































































N5 Ag1 N1 C7 0.8(4) 2_455 . . . ?
O1 Ag1 N1 C7 148.9(3) . . . . ?
O2 Ag1 N1 C7 -171.8(4) . . . . ?
N5 Ag1 N1 N2 -166.7(3) 2_455 . . . ?
O1 Ag1 N1 N2 -18.6(4) . . . . ?
O2 Ag1 N1 N2 20.7(3) . . . . ?
C7 N1 N2 C8 -0.3(5) . . . . ?
Ag1 N1 N2 C8 169.5(3) . . . . ?
C7 N1 N2 Ag2 -161.7(3) . . . . ?
Ag1 N1 N2 Ag2 8.0(4) . . . . ?
N6 Ag2 N2 C8 131.3(6) 1_655 . . . ?
O1 Ag2 N2 C8 -89.4(3) 2_545 . . . ?
N6 Ag2 N2 N1 -70.6(8) 1_655 . . . ?
O1 Ag2 N2 N1 68.8(3) 2_545 . . . ?
C9 N5 N6 C10 0.4(5) . . . . ?
Ag1 N5 N6 C10 -176.3(3) 2_445 . . . ?
C9 N5 N6 Ag2 178.1(3) . . . 1_455 ?
Ag1 N5 N6 Ag2 1.4(4) 2_445 . . 1_455 ?
N1 Ag1 O1 C17 52.9(4) . . . . ?
N5 Ag1 O1 C17 -153.8(3) 2_455 . . . ?
O2 Ag1 O1 C17 0.6(3) . . . . ?
N1 Ag1 O1 Ag2 175.16(14) . . . 2 ?
N5 Ag1 O1 Ag2 -31.53(13) 2_455 . . 2 ?
O2 Ag1 O1 Ag2 122.9(2) . . . 2 ?
N1 Ag1 O2 C17 -149.5(3) . . . . ?
N5 Ag1 O2 C17 40.0(4) 2_455 . . . ?
O1 Ag1 O2 C17 -0.6(3) . . . . ?
C7 N3 C1 C2 158.6(4) . . . . ?
C8 N3 C1 C2 -24.5(6) . . . . ?
C7 N3 C1 C6 -22.4(6) . . . . ?
C8 N3 C1 C6 154.5(4) . . . . ?
C6 C1 C2 C3 -1.3(6) . . . . ?
N3 C1 C2 C3 177.7(4) . . . . ?
C1 C2 C3 C4 1.0(7) . . . . ?
C2 C3 C4 C5 0.2(7) . . . . ?
C3 C4 C5 C6 -1.1(6) . . . . ?
C3 C4 C5 N4 179.7(4) . . . . ?
C10 N4 C5 C4 -37.5(6) . . . . ?
C9 N4 C5 C4 137.0(4) . . . . ?
C10 N4 C5 C6 143.3(4) . . . . ?
C9 N4 C5 C6 -42.2(6) . . . . ?
C2 C1 C6 C5 0.3(6) . . . . ?
N3 C1 C6 C5 -178.7(3) . . . . ?
C4 C5 C6 C1 0.9(6) . . . . ?
N4 C5 C6 C1 -180.0(3) . . . . ?
N2 N1 C7 N3 -0.2(5) . . . . ?
Ag1 N1 C7 N3 -169.4(3) . . . . ?
C8 N3 C7 N1 0.6(5) . . . . ?
C1 N3 C7 N1 178.0(4) . . . . ?
N1 N2 C8 N3 0.7(5) . . . . ?
Ag2 N2 C8 N3 162.3(3) . . . . ?
C7 N3 C8 N2 -0.8(5) . . . . ?
C1 N3 C8 N2 -178.3(4) . . . . ?
N6 N5 C9 N4 -0.1(5) . . . . ?
Ag1 N5 C9 N4 175.7(3) 2_445 . . . ?
C10 N4 C9 N5 -0.2(5) . . . . ?
C5 N4 C9 N5 -175.6(4) . . . . ?
N5 N6 C10 N4 -0.5(5) . . . . ?
Ag2 N6 C10 N4 -178.1(3) 1_455 . . . ?
C9 N4 C10 N6 0.4(5) . . . . ?
C5 N4 C10 N6 176.0(4) . . . . ?
C16 C11 C12 C13 1.0(6) . . . . ?
C17 C11 C12 C13 -179.3(4) . . . . ?
C11 C12 C13 C14 1.8(6) . . . . ?
C11 C12 C13 C18 178.7(4) . . . . ?
C12 C13 C14 C15 -2.6(6) . . . . ?
C18 C13 C14 C15 -179.7(4) . . . . ?
C13 C14 C15 C16 0.6(6) . . . . ?
C13 C14 C15 C19 -177.2(4) . . . . ?
C12 C11 C16 C15 -3.1(6) . . . . ?
C17 C11 C16 C15 177.2(4) . . . . ?
C14 C15 C16 C11 2.3(6) . . . . ?
C19 C15 C16 C11 -179.9(4) . . . . ?
Ag1 O2 C17 O1 1.1(5) . . . . ?
Ag1 O2 C17 C11 179.2(4) . . . . ?
Ag1 O1 C17 O2 -1.2(6) . . . . ?
Ag2 O1 C17 O2 -105.5(5) 2 . . . ?
Ag1 O1 C17 C11 -179.3(3) . . . . ?
Ag2 O1 C17 C11 76.4(5) 2 . . . ?
C16 C11 C17 O2 -166.2(5) . . . . ?
C12 C11 C17 O2 14.1(7) . . . . ?
C16 C11 C17 O1 12.0(6) . . . . ?
C12 C11 C17 O1 -167.8(4) . . . . ?
C12 C13 C18 O4 -174.0(4) . . . . ?
C14 C13 C18 O4 2.9(6) . . . . ?
C12 C13 C18 O3 5.3(6) . . . . ?
C14 C13 C18 O3 -177.8(4) . . . . ?
C14 C15 C19 O6 157.9(4) . . . . ?
C16 C15 C19 O6 -19.9(6) . . . . ?
C14 C15 C19 O5 -21.9(6) . . . . ?
C16 C15 C19 O5 160.3(4) . . . . ?



loop_

_geom_hbond_atom_site_label_D

_geom_hbond_atom_site_label_H

_geom_hbond_atom_site_label_A

_geom_hbond_distance_DH

_geom_hbond_distance_HA

_geom_hbond_distance_DA

_geom_hbond_angle_DHA

_geom_hbond_site_symmetry_A

O3 H3A O5 0.82 1.68 2.490(4) 168.3 2_655



_diffrn_measured_fraction_theta_max 0.992

_diffrn_reflns_theta_full        25.50

_diffrn_measured_fraction_theta_full 0.992

_refine_diff_density_max         0.625

_refine_diff_density_min         -0.663

_refine_diff_density_rms         0.093

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1457992'
_audit_update_record             
;
2016-03-06 deposited with the CCDC.
2016-05-04 downloaded from the CCDC.
;



_audit_creation_method           SHELXL-97

_chemical_name_systematic        
;

 ?

;

_chemical_name_common            ?

_chemical_melting_point          ?

_chemical_formula_moiety         ?

_chemical_formula_sum            'C22 H10 Ag6 N8 O8'

_chemical_formula_weight         1161.60



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'



_symmetry_cell_setting           Monoclinic

_symmetry_space_group_name_H-M   P2(1)/c



loop_

_symmetry_equiv_pos_as_xyz




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



_cell_length_a                   18.110(13)

_cell_length_b                   14.899(11)

_cell_length_c                   10.013(7)

_cell_angle_alpha                90.00

_cell_angle_beta                 104.397(8)

_cell_angle_gamma                90.00

_cell_volume                     2617(3)

_cell_formula_units_Z            4

_cell_measurement_temperature    296(2)

_cell_measurement_reflns_used    6959

_cell_measurement_theta_min      2.51

_cell_measurement_theta_max      28.08



_exptl_crystal_description       block

_exptl_crystal_colour            colourless

_exptl_crystal_size_max          0.39

_exptl_crystal_size_mid          0.25

_exptl_crystal_size_min          0.21

_exptl_crystal_density_meas      ?

_exptl_crystal_density_diffrn    2.948

_exptl_crystal_density_method    'not measured'

_exptl_crystal_F_000             2176

_exptl_absorpt_coefficient_mu    4.469

_exptl_absorpt_correction_type   multi-scan

_exptl_absorpt_correction_T_min  0.2746

_exptl_absorpt_correction_T_max  0.4538

_exptl_absorpt_process_details   sadabs



_exptl_special_details           
;

 ?

;



_diffrn_ambient_temperature      296(2)

_diffrn_radiation_wavelength     0.71073

_diffrn_radiation_type           MoK\a

_diffrn_radiation_source         'fine-focus sealed tube'

_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'CCD area detector'

_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean ?

_diffrn_standards_number         0

_diffrn_standards_interval_count ?

_diffrn_standards_interval_time  ?

_diffrn_standards_decay_%        ?

_diffrn_reflns_number            19103

_diffrn_reflns_av_R_equivalents  0.0380

_diffrn_reflns_av_sigmaI/netI    0.0341

_diffrn_reflns_limit_h_min       -21

_diffrn_reflns_limit_h_max       21

_diffrn_reflns_limit_k_min       -18

_diffrn_reflns_limit_k_max       18

_diffrn_reflns_limit_l_min       -12

_diffrn_reflns_limit_l_max       12

_diffrn_reflns_theta_min         2.32

_diffrn_reflns_theta_max         25.50

_reflns_number_total             4867

_reflns_number_gt                4068

_reflns_threshold_expression     >2sigma(I)



_computing_data_collection       'Bruker SMART'

_computing_cell_refinement       'Bruker SMART'

_computing_data_reduction        'Bruker SAINT'

_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'

_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'

_computing_molecular_graphics    'Bruker SHELXTL'

_computing_publication_material  'Bruker SHELXTL'



_refine_special_details          
;

 Refinement of F² against ALL reflections.  The weighted R-factor wR and

 goodness of fit S are based on F², conventional R-factors R are based

 on F, with F set to zero for negative F². The threshold expression of

 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is

 not relevant to the choice of reflections for refinement.  R-factors based

 on F² are statistically about twice as large as those based on F, and R-

 factors based on ALL data will be even larger.

;



_refine_ls_structure_factor_coef Fsqd

_refine_ls_matrix_type           full

_refine_ls_weighting_scheme      calc

_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0769P)²+73.1909P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_primary     direct

_atom_sites_solution_secondary   difmap

_atom_sites_solution_hydrogens   geom

_refine_ls_hydrogen_treatment    constr

_refine_ls_extinction_method     none

_refine_ls_extinction_coef       ?

_refine_ls_number_reflns         4867

_refine_ls_number_parameters     397

_refine_ls_number_restraints     0

_refine_ls_R_factor_all          0.0733

_refine_ls_R_factor_gt           0.0635

_refine_ls_wR_factor_ref         0.1751

_refine_ls_wR_factor_gt          0.1672

_refine_ls_goodness_of_fit_ref   0.998

_refine_ls_restrained_S_all      0.998

_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_symmetry_multiplicity

_atom_site_calc_flag

_atom_site_refinement_flags

_atom_site_disorder_assembly

_atom_site_disorder_group






















































Ag1 Ag 0.07612(5) 0.17341(5) 0.23666(9) 0.0339(2) Uani 1 1 d . . .
Ag2 Ag 0.06809(5) 0.12533(6) -0.07011(10) 0.0352(2) Uani 1 1 d . . .
Ag3 Ag -0.07881(5) 0.16752(5) -0.22006(9) 0.0321(2) Uani 1 1 d . . .
Ag4 Ag -0.08360(8) 0.12786(7) 0.08388(12) 0.0637(4) Uani 1 1 d . . .
Ag5 Ag 0.27635(6) 0.17548(6) -0.18924(10) 0.0404(3) Uani 1 1 d . . .
Ag6 Ag 0.29449(7) 0.81728(6) -0.20344(10) 0.0452(3) Uani 1 1 d . . .
N1 N 0.2922(5) 0.0098(6) 0.1317(10) 0.028(2) Uani 1 1 d . . .
N2 N 0.1761(5) 0.0500(6) 0.0263(9) 0.0271(19) Uani 1 1 d . . .
N3 N 0.1805(5) -0.0440(6) 0.0258(9) 0.0271(19) Uani 1 1 d . . .
N4 N 0.5034(6) 0.1574(8) 0.4591(13) 0.050(3) Uani 1 1 d . . .
N5 N 0.5122(9) 0.2538(12) 0.6289(18) 0.088(5) Uani 1 1 d . . .
N6 N 0.5839(7) 0.2477(10) 0.5994(17) 0.074(4) Uani 1 1 d . . .
N7 N -0.0317(5) -0.0396(6) -0.1985(10) 0.030(2) Uani 1 1 d . . .
N8 N 0.3036(6) 0.9624(7) -0.1890(11) 0.041(2) Uani 1 1 d . . .
O1 O 0.0961(5) 0.3163(5) 0.1953(8) 0.0327(18) Uani 1 1 d . . .
O2 O 0.1007(5) 0.2711(5) -0.0172(8) 0.0353(19) Uani 1 1 d . . .
O3 O 0.2787(5) 0.2897(6) 0.0578(8) 0.041(2) Uani 1 1 d . . .
O4 O 0.2337(5) 0.3125(5) -0.1682(8) 0.0357(19) Uani 1 1 d . . .
O5 O 0.2197(5) 0.6897(5) -0.1834(8) 0.0317(17) Uani 1 1 d . . .
O6 O 0.2643(5) 0.7201(5) 0.0417(8) 0.0332(18) Uani 1 1 d . . .
O7 O 0.0855(4) 0.7223(5) -0.0354(8) 0.0303(17) Uani 1 1 d . . .
O8 O 0.0837(5) 0.6834(5) 0.1811(8) 0.0325(18) Uani 1 1 d . . .
C1 C 0.3722(7) 0.0159(8) 0.1956(12) 0.037(3) Uani 1 1 d . . .
C2 C 0.3988(7) 0.0844(9) 0.2938(13) 0.040(3) Uani 1 1 d . . .
H2 H 0.3647 0.1244 0.3175 0.048 Uiso 1 1 calc R . .
C3 C 0.4760(7) 0.0912(9) 0.3538(14) 0.046(3) Uani 1 1 d . . .
C4 C 0.5274(8) 0.0307(13) 0.3152(19) 0.066(5) Uani 1 1 d . . .
H4 H 0.5791 0.0326 0.3586 0.080 Uiso 1 1 calc R . .
C5 C 0.5003(10) -0.0303(14) 0.214(2) 0.075(5) Uani 1 1 d . . .
H5 H 0.5345 -0.0673 0.1846 0.090 Uiso 1 1 calc R . .
C6 C 0.4232(7) -0.0388(11) 0.1536(15) 0.052(4) Uani 1 1 d . . .
H6 H 0.4060 -0.0813 0.0849 0.062 Uiso 1 1 calc R . .
C7 C 0.2501(6) -0.0656(7) 0.0896(11) 0.031(2) Uani 1 1 d . . .
H7 H 0.2684 -0.1240 0.1043 0.037 Uiso 1 1 calc R . .
C8 C 0.2434(6) 0.0797(7) 0.0892(11) 0.028(2) Uani 1 1 d . . .
H8 H 0.2564 0.1400 0.1032 0.033 Uiso 1 1 calc R . .
C9 C 0.4660(10) 0.1982(14) 0.545(2) 0.085(7) Uani 1 1 d . . .
H9 H 0.4153 0.1881 0.5454 0.102 Uiso 1 1 calc R . .
C10 C 0.5749(9) 0.1895(13) 0.495(2) 0.074(5) Uani 1 1 d . . .
H10 H 0.6133 0.1732 0.4532 0.089 Uiso 1 1 calc R . .
C11 C 0.1419(5) 0.4178(6) 0.0486(9) 0.0188(19) Uani 1 1 d . . .
C12 C 0.2021(5) 0.4193(7) -0.0164(9) 0.021(2) Uani 1 1 d . . .
C13 C 0.2290(6) 0.5026(6) -0.0506(11) 0.021(2) Uani 1 1 d . . .
H13 H 0.2693 0.5044 -0.0927 0.025 Uiso 1 1 calc R . .
C14 C 0.1960(6) 0.5829(7) -0.0221(10) 0.021(2) Uani 1 1 d . . .
C15 C 0.1367(5) 0.5809(6) 0.0434(9) 0.0197(19) Uani 1 1 d . . .
C16 C 0.1102(6) 0.4985(6) 0.0812(10) 0.0190(19) Uani 1 1 d . . .
H16 H 0.0718 0.4973 0.1278 0.023 Uiso 1 1 calc R . .
C17 C 0.1097(5) 0.3276(6) 0.0783(10) 0.020(2) Uani 1 1 d . . .
C18 C 0.2405(6) 0.3330(7) -0.0429(11) 0.024(2) Uani 1 1 d . . .
C19 C 0.2290(6) 0.6712(7) -0.0566(10) 0.023(2) Uani 1 1 d . . .
C20 C 0.0985(6) 0.6686(6) 0.0650(10) 0.022(2) Uani 1 1 d . . .
C21 C -0.0286(6) 0.0370(7) -0.1864(10) 0.023(2) Uani 1 1 d . . .
C22 C 0.3027(6) 1.0382(7) -0.1843(11) 0.026(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






















































































Ag1 N7 2.148(9) 3 ?
Ag1 O1 2.216(7) . ?
Ag1 O2 2.532(8) 4_566 ?
Ag1 Ag4 2.994(2) . ?
Ag1 Ag2 3.122(2) . ?
Ag2 C21 2.267(10) . ?
Ag2 N2 2.253(9) . ?
Ag2 O2 2.279(7) . ?
Ag2 Ag3 2.782(2) . ?
Ag3 C21 2.137(10) . ?
Ag3 O8 2.262(7) 3_565 ?
Ag3 O5 2.516(8) 2_544 ?
Ag3 O7 2.555(8) 2_544 ?
Ag3 Ag4 3.122(3) . ?
Ag4 N3 2.210(9) 3 ?
Ag4 O7 2.284(7) 3_565 ?
Ag4 N7 2.493(9) 3 ?
Ag4 O8 2.495(8) 2_545 ?
Ag5 C22 2.098(11) 1_545 ?
Ag5 O4 2.212(7) . ?
Ag5 O3 2.596(8) 4_565 ?
Ag6 N8 2.171(11) . ?
Ag6 O5 2.372(7) . ?
Ag6 N6 2.423(12) 2_655 ?
Ag6 O6 2.535(8) 4_575 ?
N1 C8 1.363(14) . ?
N1 C7 1.363(14) . ?
N1 C1 1.435(15) . ?
N2 C8 1.304(14) . ?
N2 N3 1.403(13) . ?
N3 C7 1.304(14) . ?
N3 Ag4 2.210(9) 3 ?
N4 C9 1.37(2) . ?
N4 C10 1.344(18) . ?
N4 C3 1.440(17) . ?
N5 C9 1.32(2) . ?
N5 N6 1.404(19) . ?
N6 C10 1.33(2) . ?
N6 Ag6 2.423(12) 2_645 ?
N7 C21 1.148(15) . ?
N7 Ag1 2.148(9) 3 ?
N7 Ag4 2.493(9) 3 ?
N8 C22 1.131(16) . ?
O1 C17 1.267(12) . ?
O2 C17 1.253(12) . ?
O2 Ag1 2.532(8) 4_565 ?
O3 C18 1.251(13) . ?
O3 Ag5 2.596(8) 4_566 ?
O4 C18 1.267(13) . ?
O5 C19 1.268(12) . ?
O5 Ag3 2.516(8) 2_554 ?
O6 C19 1.263(13) . ?
O6 Ag6 2.535(8) 4_576 ?
O7 C20 1.260(12) . ?
O7 Ag4 2.284(7) 3_565 ?
O7 Ag3 2.555(8) 2_554 ?
O8 C20 1.275(12) . ?
O8 Ag3 2.262(7) 3_565 ?
O8 Ag4 2.495(8) 2 ?
C1 C6 1.374(18) . ?
C1 C2 1.416(17) . ?
C2 C3 1.381(17) . ?
C2 H2 0.9300 . ?
C3 C4 1.42(2) . ?
C4 C5 1.36(2) . ?
C4 H4 0.9300 . ?
C5 C6 1.38(2) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.403(13) . ?
C11 C16 1.405(13) . ?
C11 C17 1.522(13) . ?
C12 C13 1.406(13) . ?
C12 C18 1.517(14) . ?
C13 C14 1.398(13) . ?
C13 H13 0.9300 . ?
C14 C15 1.390(13) . ?
C14 C19 1.520(13) . ?
C15 C16 1.404(13) . ?
C15 C20 1.519(13) . ?
C16 H16 0.9300 . ?
C22 Ag5 2.098(11) 1_565 ?



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































































































































































N7 Ag1 O1 158.4(3) 3 . ?
N7 Ag1 O2 116.3(3) 3 4_566 ?
O1 Ag1 O2 82.6(3) . 4_566 ?
N7 Ag1 Ag4 55.1(3) 3 . ?
O1 Ag1 Ag4 107.7(2) . . ?
O2 Ag1 Ag4 119.0(2) 4_566 . ?
N7 Ag1 Ag2 71.8(2) 3 . ?
O1 Ag1 Ag2 90.37(19) . . ?
O2 Ag1 Ag2 170.6(2) 4_566 . ?
Ag4 Ag1 Ag2 69.06(5) . . ?
C21 Ag2 N2 114.1(3) . . ?
C21 Ag2 O2 142.7(3) . . ?
N2 Ag2 O2 103.2(3) . . ?
C21 Ag2 Ag3 48.8(3) . . ?
N2 Ag2 Ag3 162.8(2) . . ?
O2 Ag2 Ag3 93.9(2) . . ?
C21 Ag2 Ag1 118.7(3) . . ?
N2 Ag2 Ag1 82.5(2) . . ?
O2 Ag2 Ag1 66.82(19) . . ?
Ag3 Ag2 Ag1 106.47(5) . . ?
C21 Ag3 O8 154.2(3) . 3_565 ?
C21 Ag3 O5 122.1(3) . 2_544 ?
O8 Ag3 O5 81.8(3) 3_565 2_544 ?
C21 Ag3 O7 111.0(3) . 2_544 ?
O8 Ag3 O7 81.8(3) 3_565 2_544 ?
O5 Ag3 O7 77.7(2) 2_544 2_544 ?
C21 Ag3 Ag2 52.9(3) . . ?
O8 Ag3 Ag2 101.7(2) 3_565 . ?
O5 Ag3 Ag2 168.39(18) 2_544 . ?
O7 Ag3 Ag2 113.62(18) 2_544 . ?
C21 Ag3 Ag4 77.8(3) . . ?
O8 Ag3 Ag4 90.35(19) 3_565 . ?
O5 Ag3 Ag4 97.37(17) 2_544 . ?
O7 Ag3 Ag4 171.21(17) 2_544 . ?
Ag2 Ag3 Ag4 71.69(5) . . ?
N3 Ag4 O7 118.6(3) 3 3_565 ?
N3 Ag4 N7 113.7(3) 3 3 ?
O7 Ag4 N7 125.5(3) 3_565 3 ?
N3 Ag4 O8 118.0(3) 3 2_545 ?
O7 Ag4 O8 82.7(3) 3_565 2_545 ?
N7 Ag4 O8 86.4(3) 3 2_545 ?
N3 Ag4 Ag1 158.2(2) 3 . ?
O7 Ag4 Ag1 81.3(2) 3_565 . ?
N7 Ag4 Ag1 44.9(2) 3 . ?
O8 Ag4 Ag1 70.7(2) 2_545 . ?
N3 Ag4 Ag3 80.4(2) 3 . ?
O7 Ag4 Ag3 67.07(19) 3_565 . ?
N7 Ag4 Ag3 109.0(2) 3 . ?
O8 Ag4 Ag3 149.70(17) 2_545 . ?
Ag1 Ag4 Ag3 101.40(6) . . ?
C22 Ag5 O4 168.7(3) 1_545 . ?
C22 Ag5 O3 99.2(3) 1_545 4_565 ?
O4 Ag5 O3 89.9(3) . 4_565 ?
N8 Ag6 O5 145.9(3) . . ?
N8 Ag6 N6 110.6(5) . 2_655 ?
O5 Ag6 N6 95.6(4) . 2_655 ?
N8 Ag6 O6 106.2(3) . 4_575 ?
O5 Ag6 O6 85.7(3) . 4_575 ?
N6 Ag6 O6 106.5(4) 2_655 4_575 ?
C8 N1 C7 105.3(9) . . ?
C8 N1 C1 126.5(10) . . ?
C7 N1 C1 128.0(10) . . ?
C8 N2 N3 107.1(8) . . ?
C8 N2 Ag2 130.2(7) . . ?
N3 N2 Ag2 122.7(6) . . ?
C7 N3 N2 107.0(8) . . ?
C7 N3 Ag4 131.0(7) . 3 ?
N2 N3 Ag4 121.8(6) . 3 ?
C9 N4 C10 105.5(13) . . ?
C9 N4 C3 129.4(12) . . ?
C10 N4 C3 125.1(13) . . ?
C9 N5 N6 107.5(14) . . ?
C10 N6 N5 105.5(13) . . ?
C10 N6 Ag6 122.4(11) . 2_645 ?
N5 N6 Ag6 132.2(11) . 2_645 ?
C21 N7 Ag1 161.5(8) . 3 ?
C21 N7 Ag4 117.5(7) . 3 ?
Ag1 N7 Ag4 80.0(3) 3 3 ?
C22 N8 Ag6 175.0(9) . . ?
C17 O1 Ag1 112.2(6) . . ?
C17 O2 Ag2 142.6(7) . . ?
C17 O2 Ag1 118.8(6) . 4_565 ?
Ag2 O2 Ag1 96.4(3) . 4_565 ?
C18 O3 Ag5 122.9(7) . 4_566 ?
C18 O4 Ag5 111.4(7) . . ?
C19 O5 Ag6 108.8(6) . . ?
C19 O5 Ag3 103.0(6) . 2_554 ?
Ag6 O5 Ag3 128.2(3) . 2_554 ?
C19 O6 Ag6 126.7(6) . 4_576 ?
C20 O7 Ag4 141.3(7) . 3_565 ?
C20 O7 Ag3 121.1(6) . 2_554 ?
Ag4 O7 Ag3 96.5(3) 3_565 2_554 ?
C20 O8 Ag3 110.6(6) . 3_565 ?
C20 O8 Ag4 148.5(6) . 2 ?
Ag3 O8 Ag4 98.8(3) 3_565 2 ?
C6 C1 C2 120.1(12) . . ?
C6 C1 N1 120.5(11) . . ?
C2 C1 N1 119.1(11) . . ?
C3 C2 C1 119.1(12) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 119.8(13) . . ?
C2 C3 N4 119.7(12) . . ?
C4 C3 N4 120.4(12) . . ?
C5 C4 C3 119.3(14) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C6 C5 C4 121.7(14) . . ?
C6 C5 H5 119.1 . . ?
C4 C5 H5 119.1 . . ?
C5 C6 C1 119.6(13) . . ?
C5 C6 H6 120.2 . . ?
C1 C6 H6 120.2 . . ?
N3 C7 N1 110.3(10) . . ?
N3 C7 H7 124.9 . . ?
N1 C7 H7 124.9 . . ?
N2 C8 N1 110.3(10) . . ?
N2 C8 H8 124.9 . . ?
N1 C8 H8 124.9 . . ?
N5 C9 N4 110.1(15) . . ?
N5 C9 H9 124.9 . . ?
N4 C9 H9 124.9 . . ?
N6 C10 N4 111.4(14) . . ?
N6 C10 H10 124.3 . . ?
N4 C10 H10 124.3 . . ?
C12 C11 C16 120.2(9) . . ?
C12 C11 C17 119.0(8) . . ?
C16 C11 C17 120.8(8) . . ?
C11 C12 C13 118.9(9) . . ?
C11 C12 C18 120.7(9) . . ?
C13 C12 C18 120.3(9) . . ?
C14 C13 C12 121.0(9) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C15 C14 C13 119.8(9) . . ?
C15 C14 C19 121.3(9) . . ?
C13 C14 C19 118.8(8) . . ?
C14 C15 C16 120.1(9) . . ?
C14 C15 C20 118.7(9) . . ?
C16 C15 C20 121.1(8) . . ?
C11 C16 C15 120.0(9) . . ?
C11 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
O2 C17 O1 126.7(9) . . ?
O2 C17 C11 115.3(8) . . ?
O1 C17 C11 118.0(8) . . ?
O3 C18 O4 124.9(10) . . ?
O3 C18 C12 118.8(9) . . ?
O4 C18 C12 116.1(9) . . ?
O5 C19 O6 124.7(9) . . ?
O5 C19 C14 117.0(9) . . ?
O6 C19 C14 118.3(9) . . ?
O7 C20 O8 125.4(9) . . ?
O7 C20 C15 115.7(8) . . ?
O8 C20 C15 118.9(9) . . ?
N7 C21 Ag3 151.6(8) . . ?
N7 C21 Ag2 130.0(8) . . ?
Ag3 C21 Ag2 78.3(3) . . ?
N8 C22 Ag5 168.0(10) . 1_565 ?



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


































































































































































































































N7 Ag1 Ag2 C21 34.4(4) 3 . . . ?
O1 Ag1 Ag2 C21 -133.1(4) . . . . ?
O2 Ag1 Ag2 C21 -174.4(11) 4_566 . . . ?
Ag4 Ag1 Ag2 C21 -24.3(3) . . . . ?
N7 Ag1 Ag2 N2 -78.9(3) 3 . . . ?
O1 Ag1 Ag2 N2 113.5(3) . . . . ?
O2 Ag1 Ag2 N2 72.2(11) 4_566 . . . ?
Ag4 Ag1 Ag2 N2 -137.7(2) . . . . ?
N7 Ag1 Ag2 O2 173.2(4) 3 . . . ?
O1 Ag1 Ag2 O2 5.6(3) . . . . ?
O2 Ag1 Ag2 O2 -35.7(10) 4_566 . . . ?
Ag4 Ag1 Ag2 O2 114.5(2) . . . . ?
N7 Ag1 Ag2 Ag3 86.0(3) 3 . . . ?
O1 Ag1 Ag2 Ag3 -81.5(2) . . . . ?
O2 Ag1 Ag2 Ag3 -122.8(11) 4_566 . . . ?
Ag4 Ag1 Ag2 Ag3 27.32(5) . . . . ?
N2 Ag2 Ag3 C21 5.7(8) . . . . ?
O2 Ag2 Ag3 C21 179.1(4) . . . . ?
Ag1 Ag2 Ag3 C21 -113.9(3) . . . . ?
C21 Ag2 Ag3 O8 174.7(4) . . . 3_565 ?
N2 Ag2 Ag3 O8 -179.5(8) . . . 3_565 ?
O2 Ag2 Ag3 O8 -6.2(3) . . . 3_565 ?
Ag1 Ag2 Ag3 O8 60.80(19) . . . 3_565 ?
C21 Ag2 Ag3 O5 68.3(9) . . . 2_544 ?
N2 Ag2 Ag3 O5 74.0(12) . . . 2_544 ?
O2 Ag2 Ag3 O5 -112.6(9) . . . 2_544 ?
Ag1 Ag2 Ag3 O5 -45.6(9) . . . 2_544 ?
C21 Ag2 Ag3 O7 -99.2(4) . . . 2_544 ?
N2 Ag2 Ag3 O7 -93.5(8) . . . 2_544 ?
O2 Ag2 Ag3 O7 79.9(3) . . . 2_544 ?
Ag1 Ag2 Ag3 O7 146.84(18) . . . 2_544 ?
C21 Ag2 Ag3 Ag4 88.3(3) . . . . ?
N2 Ag2 Ag3 Ag4 94.0(8) . . . . ?
O2 Ag2 Ag3 Ag4 -92.62(19) . . . . ?
Ag1 Ag2 Ag3 Ag4 -25.66(4) . . . . ?
N7 Ag1 Ag4 N3 -12.9(7) 3 . . 3 ?
O1 Ag1 Ag4 N3 152.5(7) . . . 3 ?
O2 Ag1 Ag4 N3 -116.2(7) 4_566 . . 3 ?
Ag2 Ag1 Ag4 N3 69.1(7) . . . 3 ?
N7 Ag1 Ag4 O7 -169.9(4) 3 . . 3_565 ?
O1 Ag1 Ag4 O7 -4.5(3) . . . 3_565 ?
O2 Ag1 Ag4 O7 86.7(3) 4_566 . . 3_565 ?
Ag2 Ag1 Ag4 O7 -87.93(19) . . . 3_565 ?
O1 Ag1 Ag4 N7 165.4(4) . . . 3 ?
O2 Ag1 Ag4 N7 -103.4(4) 4_566 . . 3 ?
Ag2 Ag1 Ag4 N7 82.0(3) . . . 3 ?
N7 Ag1 Ag4 O8 104.9(4) 3 . . 2_545 ?
O1 Ag1 Ag4 O8 -89.8(3) . . . 2_545 ?
O2 Ag1 Ag4 O8 1.5(3) 4_566 . . 2_545 ?
Ag2 Ag1 Ag4 O8 -173.18(18) . . . 2_545 ?
N7 Ag1 Ag4 Ag3 -105.5(3) 3 . . . ?
O1 Ag1 Ag4 Ag3 59.8(2) . . . . ?
O2 Ag1 Ag4 Ag3 151.09(19) 4_566 . . . ?
Ag2 Ag1 Ag4 Ag3 -23.58(4) . . . . ?
C21 Ag3 Ag4 N3 -77.0(4) . . . 3 ?
O8 Ag3 Ag4 N3 126.1(3) 3_565 . . 3 ?
O5 Ag3 Ag4 N3 44.3(3) 2_544 . . 3 ?
O7 Ag3 Ag4 N3 99.9(11) 2_544 . . 3 ?
Ag2 Ag3 Ag4 N3 -131.7(2) . . . 3 ?
C21 Ag3 Ag4 O7 156.3(3) . . . 3_565 ?
O8 Ag3 Ag4 O7 -0.6(3) 3_565 . . 3_565 ?
O5 Ag3 Ag4 O7 -82.4(3) 2_544 . . 3_565 ?
O7 Ag3 Ag4 O7 -26.9(9) 2_544 . . 3_565 ?
Ag2 Ag3 Ag4 O7 101.6(2) . . . 3_565 ?
C21 Ag3 Ag4 N7 34.9(4) . . . 3 ?
O8 Ag3 Ag4 N7 -122.0(3) 3_565 . . 3 ?
O5 Ag3 Ag4 N7 156.2(3) 2_544 . . 3 ?
O7 Ag3 Ag4 N7 -148.3(11) 2_544 . . 3 ?
Ag2 Ag3 Ag4 N7 -19.8(2) . . . 3 ?
C21 Ag3 Ag4 O8 152.1(5) . . . 2_545 ?
O8 Ag3 Ag4 O8 -4.7(2) 3_565 . . 2_545 ?
O5 Ag3 Ag4 O8 -86.5(4) 2_544 . . 2_545 ?
O7 Ag3 Ag4 O8 -31.0(12) 2_544 . . 2_545 ?
Ag2 Ag3 Ag4 O8 97.4(4) . . . 2_545 ?
C21 Ag3 Ag4 Ag1 80.9(3) . . . . ?
O8 Ag3 Ag4 Ag1 -76.0(2) 3_565 . . . ?
O5 Ag3 Ag4 Ag1 -157.77(18) 2_544 . . . ?
O7 Ag3 Ag4 Ag1 -102.3(11) 2_544 . . . ?
Ag2 Ag3 Ag4 Ag1 26.21(4) . . . . ?
C21 Ag2 N2 C8 173.5(9) . . . . ?
O2 Ag2 N2 C8 -4.4(10) . . . . ?
Ag3 Ag2 N2 C8 168.8(6) . . . . ?
Ag1 Ag2 N2 C8 -68.4(9) . . . . ?
C21 Ag2 N2 N3 -6.0(8) . . . . ?
O2 Ag2 N2 N3 176.1(7) . . . . ?
Ag3 Ag2 N2 N3 -10.7(13) . . . . ?
Ag1 Ag2 N2 N3 112.1(7) . . . . ?
C8 N2 N3 C7 0.5(11) . . . . ?
Ag2 N2 N3 C7 -179.9(7) . . . . ?
C8 N2 N3 Ag4 -174.9(7) . . . 3 ?
Ag2 N2 N3 Ag4 4.7(10) . . . 3 ?
C9 N5 N6 C10 2(2) . . . . ?
C9 N5 N6 Ag6 -176.6(16) . . . 2_645 ?
O5 Ag6 N8 C22 -30(11) . . . . ?
N6 Ag6 N8 C22 -168(11) 2_655 . . . ?
O6 Ag6 N8 C22 77(11) 4_575 . . . ?
N7 Ag1 O1 C17 -44.5(13) 3 . . . ?
O2 Ag1 O1 C17 163.1(7) 4_566 . . . ?
Ag4 Ag1 O1 C17 -78.7(7) . . . . ?
Ag2 Ag1 O1 C17 -10.6(7) . . . . ?
C21 Ag2 O2 C17 103.7(13) . . . . ?
N2 Ag2 O2 C17 -79.4(12) . . . . ?
Ag3 Ag2 O2 C17 102.6(12) . . . . ?
Ag1 Ag2 O2 C17 -3.7(11) . . . . ?
C21 Ag2 O2 Ag1 -57.3(6) . . . 4_565 ?
N2 Ag2 O2 Ag1 119.6(3) . . . 4_565 ?
Ag3 Ag2 O2 Ag1 -58.4(2) . . . 4_565 ?
Ag1 Ag2 O2 Ag1 -164.7(3) . . . 4_565 ?
C22 Ag5 O4 C18 51(2) 1_545 . . . ?
O3 Ag5 O4 C18 -164.6(7) 4_565 . . . ?
N8 Ag6 O5 C19 -78.4(9) . . . . ?
N6 Ag6 O5 C19 62.5(8) 2_655 . . . ?
O6 Ag6 O5 C19 168.7(7) 4_575 . . . ?
N8 Ag6 O5 Ag3 46.5(8) . . . 2_554 ?
N6 Ag6 O5 Ag3 -172.6(5) 2_655 . . 2_554 ?
O6 Ag6 O5 Ag3 -66.4(4) 4_575 . . 2_554 ?
C8 N1 C1 C6 -134.8(14) . . . . ?
C7 N1 C1 C6 38.9(19) . . . . ?
C8 N1 C1 C2 39.5(17) . . . . ?
C7 N1 C1 C2 -146.8(12) . . . . ?
C6 C1 C2 C3 -5(2) . . . . ?
N1 C1 C2 C3 -179.0(12) . . . . ?
C1 C2 C3 C4 1(2) . . . . ?
C1 C2 C3 N4 -176.6(12) . . . . ?
C9 N4 C3 C2 24(3) . . . . ?
C10 N4 C3 C2 -158.7(17) . . . . ?
C9 N4 C3 C4 -154(2) . . . . ?
C10 N4 C3 C4 24(3) . . . . ?
C2 C3 C4 C5 4(3) . . . . ?
N4 C3 C4 C5 -179.0(18) . . . . ?
C3 C4 C5 C6 -4(3) . . . . ?
C4 C5 C6 C1 0(3) . . . . ?
C2 C1 C6 C5 4(2) . . . . ?
N1 C1 C6 C5 178.3(15) . . . . ?
N2 N3 C7 N1 -0.3(11) . . . . ?
Ag4 N3 C7 N1 174.5(7) 3 . . . ?
C8 N1 C7 N3 0.0(12) . . . . ?
C1 N1 C7 N3 -174.8(10) . . . . ?
N3 N2 C8 N1 -0.6(11) . . . . ?
Ag2 N2 C8 N1 179.9(7) . . . . ?
C7 N1 C8 N2 0.4(12) . . . . ?
C1 N1 C8 N2 175.3(10) . . . . ?
N6 N5 C9 N4 -2(3) . . . . ?
C10 N4 C9 N5 1(3) . . . . ?
C3 N4 C9 N5 178.8(17) . . . . ?
N5 N6 C10 N4 -1(2) . . . . ?
Ag6 N6 C10 N4 177.5(12) 2_645 . . . ?
C9 N4 C10 N6 0(2) . . . . ?
C3 N4 C10 N6 -177.8(15) . . . . ?
C16 C11 C12 C13 -1.3(14) . . . . ?
C17 C11 C12 C13 176.5(9) . . . . ?
C16 C11 C12 C18 175.6(9) . . . . ?
C17 C11 C12 C18 -6.6(14) . . . . ?
C11 C12 C13 C14 -0.8(15) . . . . ?
C18 C12 C13 C14 -177.6(9) . . . . ?
C12 C13 C14 C15 1.3(15) . . . . ?
C12 C13 C14 C19 177.9(9) . . . . ?
C13 C14 C15 C16 0.2(15) . . . . ?
C19 C14 C15 C16 -176.3(9) . . . . ?
C13 C14 C15 C20 -176.2(9) . . . . ?
C19 C14 C15 C20 7.3(14) . . . . ?
C12 C11 C16 C15 2.7(15) . . . . ?
C17 C11 C16 C15 -175.0(9) . . . . ?
C14 C15 C16 C11 -2.2(15) . . . . ?
C20 C15 C16 C11 174.1(9) . . . . ?
Ag2 O2 C17 O1 -4.9(19) . . . . ?
Ag1 O2 C17 O1 153.4(8) 4_565 . . . ?
Ag2 O2 C17 C11 173.8(8) . . . . ?
Ag1 O2 C17 C11 -27.9(11) 4_565 . . . ?
Ag1 O1 C17 O2 12.2(13) . . . . ?
Ag1 O1 C17 C11 -166.5(6) . . . . ?
C12 C11 C17 O2 -42.7(13) . . . . ?
C16 C11 C17 O2 135.1(10) . . . . ?
C12 C11 C17 O1 136.1(10) . . . . ?
C16 C11 C17 O1 -46.1(13) . . . . ?
Ag5 O3 C18 O4 -172.2(8) 4_566 . . . ?
Ag5 O3 C18 C12 11.2(13) 4_566 . . . ?
Ag5 O4 C18 O3 12.5(14) . . . . ?
Ag5 O4 C18 C12 -170.8(7) . . . . ?
C11 C12 C18 O3 -67.3(13) . . . . ?
C13 C12 C18 O3 109.5(11) . . . . ?
C11 C12 C18 O4 115.8(11) . . . . ?
C13 C12 C18 O4 -67.4(13) . . . . ?
Ag6 O5 C19 O6 8.5(12) . . . . ?
Ag3 O5 C19 O6 -130.1(9) 2_554 . . . ?
Ag6 O5 C19 C14 -170.5(6) . . . . ?
Ag3 O5 C19 C14 50.9(9) 2_554 . . . ?
Ag6 O6 C19 O5 -174.8(7) 4_576 . . . ?
Ag6 O6 C19 C14 4.1(13) 4_576 . . . ?
C15 C14 C19 O5 -114.5(11) . . . . ?
C13 C14 C19 O5 69.0(13) . . . . ?
C15 C14 C19 O6 66.5(13) . . . . ?
C13 C14 C19 O6 -110.0(11) . . . . ?
Ag4 O7 C20 O8 34.4(17) 3_565 . . . ?
Ag3 O7 C20 O8 -160.6(8) 2_554 . . . ?
Ag4 O7 C20 C15 -144.0(8) 3_565 . . . ?
Ag3 O7 C20 C15 20.9(11) 2_554 . . . ?
Ag3 O8 C20 O7 -24.1(13) 3_565 . . . ?
Ag4 O8 C20 O7 177.8(9) 2 . . . ?
Ag3 O8 C20 C15 154.3(7) 3_565 . . . ?
Ag4 O8 C20 C15 -3.8(19) 2 . . . ?
C14 C15 C20 O7 42.1(13) . . . . ?
C16 C15 C20 O7 -134.2(10) . . . . ?
C14 C15 C20 O8 -136.4(10) . . . . ?
C16 C15 C20 O8 47.3(14) . . . . ?
Ag1 N7 C21 Ag3 -17(4) 3 . . . ?
Ag4 N7 C21 Ag3 -177.0(13) 3 . . . ?
Ag1 N7 C21 Ag2 159.2(19) 3 . . . ?
Ag4 N7 C21 Ag2 -0.5(13) 3 . . . ?
O8 Ag3 C21 N7 165.4(14) 3_565 . . . ?
O5 Ag3 C21 N7 10.0(19) 2_544 . . . ?
O7 Ag3 C21 N7 -78.4(18) 2_544 . . . ?
Ag2 Ag3 C21 N7 177.2(19) . . . . ?
Ag4 Ag3 C21 N7 101.1(18) . . . . ?
O8 Ag3 C21 Ag2 -11.9(9) 3_565 . . . ?
O5 Ag3 C21 Ag2 -167.3(2) 2_544 . . . ?
O7 Ag3 C21 Ag2 104.3(3) 2_544 . . . ?
Ag4 Ag3 C21 Ag2 -76.2(2) . . . . ?
N2 Ag2 C21 N7 3.6(11) . . . . ?
O2 Ag2 C21 N7 -179.8(8) . . . . ?
Ag3 Ag2 C21 N7 -178.3(12) . . . . ?
Ag1 Ag2 C21 N7 -91.1(10) . . . . ?
N2 Ag2 C21 Ag3 -178.1(3) . . . . ?
O2 Ag2 C21 Ag3 -1.5(6) . . . . ?
Ag1 Ag2 C21 Ag3 87.2(3) . . . . ?
Ag6 N8 C22 Ag5 -2(15) . . . 1_565 ?



_diffrn_measured_fraction_theta_max 0.999

_diffrn_reflns_theta_full        25.50

_diffrn_measured_fraction_theta_full 0.999

_refine_diff_density_max         5.280

_refine_diff_density_min         -2.915

_refine_diff_density_rms         0.238

