# 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_mo_2017264-nlg-x-87_0m
_database_code_depnum_ccdc_archive 'CCDC 1544883'
_audit_update_record             
;
2017-04-19 deposited with the CCDC.
2017-06-12 downloaded from the CCDC.
;
_audit_creation_date             2017-04-19
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C3 H2 Ag N5 O6'
_chemical_formula_sum            'C3 H2 Ag N5 O6'
_chemical_formula_weight         311.97
_chemical_melting_point          ?
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'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   10.346(2)
_cell_length_b                   5.3225(11)
_cell_length_c                   14.977(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.245(3)
_cell_angle_gamma                90
_cell_volume                     808.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2903
_cell_measurement_temperature    205
_cell_measurement_theta_max      27.657
_cell_measurement_theta_min      2.773
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.516
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5098
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1188 before and 0.0439 after correction.
The Ratio of minimum to maximum transmission is 0.6837.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.562
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5618
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.737
_diffrn_reflns_theta_min         2.007
_diffrn_ambient_temperature      205.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1675
_reflns_number_total             1873
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.814
_refine_diff_density_min         -0.847
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1873
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0270
_refine_ls_restrained_S_all      1.144
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0463P)²+0.1452P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0823
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H,H) groups
2.a Riding coordinates:
 O1(H1A,H1B)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.17384(2) 0.64281(5) 0.77375(2) 0.03633(12) Uani 1 1 d . . . . .
O1 O 0.0005(2) 0.4046(4) 0.82075(14) 0.0301(4) Uani 1 1 d . . . . .
H1A H 0.0362 0.3171 0.8637 0.045 Uiso 1 1 d R . . . .
H1B H -0.0518 0.5093 0.8431 0.045 Uiso 1 1 d R . . . .
O2 O 0.4587(2) 0.8216(4) 0.72199(13) 0.0277(4) Uani 1 1 d . . . . .
O3 O 0.1838(2) 0.2799(4) 0.65150(13) 0.0309(5) Uani 1 1 d . . . . .
O4 O 0.0702(2) 0.2290(4) 0.51499(14) 0.0325(5) Uani 1 1 d . . . A -1
O5 O 0.1272(2) 0.5303(4) 0.39190(12) 0.0311(5) Uani 1 1 d . . . . .
O6 O 0.2699(2) 0.8196(4) 0.44261(14) 0.0291(4) Uani 1 1 d . . . . .
N1 N 0.3323(2) 0.7389(5) 0.68523(15) 0.0244(5) Uani 1 1 d . . . . .
N2 N 0.5428(2) 0.7768(5) 0.66422(15) 0.0261(5) Uani 1 1 d . . . . .
N3 N 0.5357(2) 0.5740(5) 0.52696(15) 0.0229(4) Uani 1 1 d . . . . .
N4 N 0.1561(2) 0.3425(4) 0.56917(15) 0.0217(5) Uani 1 1 d . . . . .
N5 N 0.2046(2) 0.6288(4) 0.45615(15) 0.0224(5) Uani 1 1 d . . . . .
C1 C 0.4719(3) 0.6631(5) 0.59422(18) 0.0208(5) Uani 1 1 d . . . . .
C2 C 0.3384(3) 0.6429(4) 0.60636(17) 0.0197(5) Uani 1 1 d . . . . .
C3 C 0.2262(2) 0.5403(5) 0.54374(16) 0.0205(5) 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 O1 2.411(2) . ?
Ag1 O1 2.491(2) 2_556 ?
Ag1 O5 2.593(2) 4_576 ?
Ag1 O6 2.539(2) 4_576 ?
Ag1 N1 2.357(2) . ?
O1 Ag1 2.491(2) 2_546 ?
O1 H1A 0.8218 . ?
O1 H1B 0.8868 . ?
O2 N1 1.388(3) . ?
O2 N2 1.362(3) . ?
O3 N4 1.255(3) . ?
O4 N4 1.237(3) . ?
O5 Ag1 2.593(2) 4_575 ?
O5 N5 1.241(3) . ?
O6 Ag1 2.539(2) 4_575 ?
O6 N5 1.258(3) . ?
N1 C2 1.300(3) . ?
N2 C1 1.305(3) . ?
N3 N3 1.259(4) 3_666 ?
N3 C1 1.391(4) . ?
N4 C3 1.374(3) . ?
N5 C3 1.371(3) . ?
C1 C2 1.431(4) . ?
C2 C3 1.450(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ag1 O1 87.85(5) . 2_556 ?
O1 Ag1 O5 78.57(6) 2_556 4_576 ?
O1 Ag1 O5 84.58(7) . 4_576 ?
O1 Ag1 O6 128.42(7) 2_556 4_576 ?
O1 Ag1 O6 85.38(7) . 4_576 ?
O6 Ag1 O5 49.91(6) 4_576 4_576 ?
N1 Ag1 O1 156.50(8) . . ?
N1 Ag1 O1 93.74(8) . 2_556 ?
N1 Ag1 O5 118.73(8) . 4_576 ?
N1 Ag1 O6 111.29(7) . 4_576 ?
Ag1 O1 Ag1 128.75(9) . 2_546 ?
Ag1 O1 H1A 107.1 2_546 . ?
Ag1 O1 H1A 106.3 . . ?
Ag1 O1 H1B 108.9 . . ?
Ag1 O1 H1B 98.0 2_546 . ?
H1A O1 H1B 105.9 . . ?
N2 O2 N1 111.19(19) . . ?
N5 O5 Ag1 93.90(16) . 4_575 ?
N5 O6 Ag1 96.08(15) . 4_575 ?
O2 N1 Ag1 123.41(15) . . ?
C2 N1 Ag1 126.03(19) . . ?
C2 N1 O2 106.0(2) . . ?
C1 N2 O2 105.2(2) . . ?
N3 N3 C1 112.1(3) 3_666 . ?
O3 N4 C3 116.3(2) . . ?
O4 N4 O3 120.8(2) . . ?
O4 N4 C3 122.9(2) . . ?
O5 N5 O6 120.1(2) . . ?
O5 N5 C3 123.9(2) . . ?
O6 N5 C3 116.0(2) . . ?
N2 C1 N3 117.9(2) . . ?
N2 C1 C2 109.7(2) . . ?
N3 C1 C2 132.2(2) . . ?
N1 C2 C1 107.7(2) . . ?
N1 C2 C3 124.2(3) . . ?
C1 C2 C3 128.1(2) . . ?
N4 C3 C2 120.6(2) . . ?
N5 C3 N4 122.2(2) . . ?
N5 C3 C2 116.8(2) . . ?

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
O1 H1A O4 0.82 2.24 2.945(3) 144.4 4_566
O1 H1A O5 0.82 2.08 2.769(3) 141.2 4_566
O1 H1B O3 0.89 2.00 2.848(3) 160.2 2_556
O1 H1B O4 0.89 2.47 3.205(3) 141.2 2_556
O1 H1B N4 0.89 2.57 3.438(3) 167.5 2_556

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
Ag1 O5 N5 O6 -1.3(2) 4_575 . . . ?
Ag1 O5 N5 C3 179.6(2) 4_575 . . . ?
Ag1 O6 N5 O5 1.3(3) 4_575 . . . ?
Ag1 O6 N5 C3 -179.49(19) 4_575 . . . ?
Ag1 N1 C2 C1 -155.80(17) . . . . ?
Ag1 N1 C2 C3 25.2(4) . . . . ?
O2 N1 C2 C1 0.8(3) . . . . ?
O2 N1 C2 C3 -178.2(2) . . . . ?
O2 N2 C1 N3 -174.4(2) . . . . ?
O2 N2 C1 C2 2.1(3) . . . . ?
O3 N4 C3 N5 -179.3(2) . . . . ?
O3 N4 C3 C2 8.8(4) . . . . ?
O4 N4 C3 N5 1.0(4) . . . . ?
O4 N4 C3 C2 -170.9(2) . . . . ?
O5 N5 C3 N4 -4.7(4) . . . . ?
O5 N5 C3 C2 167.5(2) . . . . ?
O6 N5 C3 N4 176.1(2) . . . . ?
O6 N5 C3 C2 -11.7(3) . . . . ?
N1 O2 N2 C1 -1.6(3) . . . . ?
N1 C2 C3 N4 -59.8(4) . . . . ?
N1 C2 C3 N5 127.9(3) . . . . ?
N2 O2 N1 Ag1 157.83(17) . . . . ?
N2 O2 N1 C2 0.5(3) . . . . ?
N2 C1 C2 N1 -1.9(3) . . . . ?
N2 C1 C2 C3 177.1(2) . . . . ?
N3 N3 C1 N2 166.6(3) 3_666 . . . ?
N3 N3 C1 C2 -8.9(5) 3_666 . . . ?
N3 C1 C2 N1 174.0(3) . . . . ?
N3 C1 C2 C3 -7.1(5) . . . . ?
C1 C2 C3 N4 121.5(3) . . . . ?
C1 C2 C3 N5 -50.8(4) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_mo_2017276-nlg-x-92_0m
_database_code_depnum_ccdc_archive 'CCDC 1548958'
_audit_update_record             
;
2017-05-10 deposited with the CCDC.
2017-06-12 downloaded from the CCDC.
;
_audit_creation_date             2017-04-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Ag C3 N5 O5'
_chemical_formula_sum            'C3 Ag N5 O5'
_chemical_formula_weight         293.95
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   10.1571(8)
_cell_length_b                   4.9006(4)
_cell_length_c                   14.4249(11)
_cell_angle_alpha                90
_cell_angle_beta                 103.473(2)
_cell_angle_gamma                90
_cell_volume                     698.25(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1955
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.39
_cell_measurement_theta_min      2.904
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.896
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5850
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0954 before and 0.0495 after correction. The Ratio of minimum to maximum transmission is 0.7846. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.796
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_av_unetI/netI     0.0360
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            5771
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.558
_diffrn_reflns_theta_min         2.062
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1425
_reflns_number_total             1614
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.490
_refine_diff_density_min         -0.739
_refine_diff_density_rms         0.153
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     127
_refine_ls_number_reflns         1614
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0297
_refine_ls_R_factor_gt           0.0251
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0310P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0594
_refine_ls_wR_factor_ref         0.0623
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.13340(2) 0.85299(5) 0.12950(2) 0.02395(10) Uani 1 1 d . . . . .
O5 O 0.1792(2) 0.3429(4) 0.20272(15) 0.0233(5) Uani 1 1 d . . . . .
O1 O 0.4364(2) 0.9712(4) 0.27983(15) 0.0242(5) Uani 1 1 d . . . . .
O4 O 0.0638(2) 0.1562(4) 0.29572(18) 0.0287(5) Uani 1 1 d . . . . .
O2 O 0.2358(2) 0.6973(4) 0.49486(15) 0.0260(5) Uani 1 1 d . . . . .
O3 O 0.1024(2) 0.3452(4) 0.46630(17) 0.0287(5) Uani 1 1 d . . . . .
N3 N 0.5294(2) 0.6038(5) 0.48924(18) 0.0200(5) Uani 1 1 d . . . . .
N4 N 0.1826(2) 0.5076(5) 0.44094(17) 0.0196(5) Uani 1 1 d . . . . .
N5 N 0.1500(2) 0.3222(5) 0.28258(18) 0.0185(5) Uani 1 1 d . . . . .
N1 N 0.3167(2) 0.8203(5) 0.26641(18) 0.0204(5) Uani 1 1 d . . . . .
N2 N 0.5216(2) 0.9065(5) 0.36502(19) 0.0234(5) Uani 1 1 d . . . . .
C2 C 0.3272(3) 0.6686(5) 0.3407(2) 0.0157(6) Uani 1 1 d . . . . .
C1 C 0.2198(2) 0.4889(6) 0.35510(19) 0.0164(6) Uani 1 1 d . . . . .
C3 C 0.4584(3) 0.7205(6) 0.4025(2) 0.0171(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 O2 2.420(2) 4_575 ?
Ag1 O3 2.471(2) 2 ?
Ag1 N1 2.383(2) . ?
O5 N5 1.258(3) . ?
O1 N1 1.397(3) . ?
O1 N2 1.366(3) . ?
O4 N5 1.242(3) . ?
O2 Ag1 2.420(2) 4_576 ?
O2 N4 1.251(3) . ?
O3 Ag1 2.471(2) 2_545 ?
O3 N4 1.253(3) . ?
N3 N3 1.255(5) 3_666 ?
N3 C3 1.412(4) . ?
N4 C1 1.379(3) . ?
N5 C1 1.385(3) . ?
N1 C2 1.288(4) . ?
N2 C3 1.303(4) . ?
C2 C1 1.454(4) . ?
C2 C3 1.442(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Ag1 O3 95.25(7) 4_575 2 ?
N1 Ag1 O2 105.02(8) . 4_575 ?
N1 Ag1 O3 158.56(9) . 2 ?
N2 O1 N1 110.5(2) . . ?
N4 O2 Ag1 102.66(16) . 4_576 ?
N4 O3 Ag1 116.00(17) . 2_545 ?
N3 N3 C3 111.9(3) 3_666 . ?
O2 N4 O3 120.4(2) . . ?
O2 N4 C1 116.0(2) . . ?
O3 N4 C1 123.5(3) . . ?
O5 N5 C1 117.1(2) . . ?
O4 N5 O5 121.1(2) . . ?
O4 N5 C1 121.7(2) . . ?
O1 N1 Ag1 124.46(17) . . ?
C2 N1 Ag1 128.7(2) . . ?
C2 N1 O1 106.8(2) . . ?
C3 N2 O1 105.4(2) . . ?
N1 C2 C1 123.3(3) . . ?
N1 C2 C3 107.3(2) . . ?
C3 C2 C1 129.4(3) . . ?
N4 C1 N5 121.2(2) . . ?
N4 C1 C2 117.3(2) . . ?
N5 C1 C2 121.2(2) . . ?
N3 C3 C2 133.1(3) . . ?
N2 C3 N3 116.9(2) . . ?
N2 C3 C2 109.9(3) . . ?


_olex2_submission_special_instructions 'No special instructions were received'
