# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018

####################################################################### 
# 
# 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_y
_database_code_depnum_ccdc_archive 'CCDC 1015136'
_audit_update_record             
;
2014-07-20 deposited with the CCDC.
2018-01-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C14 H25 Ag4 Cd2 N10 O7'
_chemical_formula_sum            'C14 H25 Ag4 Cd2 N10 O7'
_chemical_formula_weight         1101.72

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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/m
_symmetry_space_group_name_Hall  '-P 2yb '

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

_cell_length_a                   10.9482(7)
_cell_length_b                   11.7177(7)
_cell_length_c                   11.9192(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.126(2)
_cell_angle_gamma                90.00
_cell_volume                     1517.28(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9933
_cell_measurement_theta_min      2.4468
_cell_measurement_theta_max      28.3419

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    2.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1038
_exptl_absorpt_coefficient_mu    3.954
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.4632
_exptl_absorpt_correction_T_max  0.7427
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'

_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  'Bruker APEX area-detector diffractometer'
_diffrn_measurement_method       'φ and ω scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            25491
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0248
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.72
_diffrn_reflns_theta_max         28.38
_reflns_number_total             3904
_reflns_number_gt                3833
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2002)'
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_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)+(0.0527P)²+34.0546P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3904
_refine_ls_number_parameters     226
_refine_ls_number_restraints     17
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0445
_refine_ls_wR_factor_ref         0.1364
_refine_ls_wR_factor_gt          0.1360
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.076
_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
Cd1 Cd 0.28872(3) 0.7500 0.59871(3) 0.00993(7) Uani 1 2 d SD . .
Cd2 Cd 0.27984(3) 0.2500 0.83324(3) 0.01111(8) Uani 1 2 d S . .
Ag1 Ag 0.78857(4) 0.7500 0.60788(4) 0.02713(12) Uani 1 2 d S . .
Ag2 Ag 0.77758(4) 0.2500 0.82500(4) 0.01848(9) Uani 1 2 d S . .
Ag3 Ag 0.23936(3) 0.48970(3) 0.21502(3) 0.02205(7) Uani 1 1 d . . .
O1 O 0.2822(3) 0.3849(2) 0.6919(3) 0.0207(7) Uani 1 1 d . . .
H1 H 0.2496 0.3509 0.6359 0.031 Uiso 1 1 calc R . .
N2 N 0.0804(4) 0.7500 0.6139(4) 0.0228(12) Uani 1 2 d S . .
N3 N 0.4958(4) 0.7500 0.5801(5) 0.0256(13) Uani 1 2 d S . .
N4 N 0.2582(4) 0.3871(3) 0.9687(3) 0.0259(9) Uani 1 1 d . . .
N5 N 0.0660(4) 0.2500 0.7959(4) 0.0199(11) Uani 1 2 d S . .
N6 N 0.4887(4) 0.2500 0.8521(4) 0.0167(10) Uani 1 2 d S . .
N7 N 0.2510(3) 0.6151(3) 0.4544(3) 0.0196(8) Uani 1 1 d . . .
C1 C 0.3869(4) 0.4465(4) 0.6635(4) 0.0243(10) Uani 1 1 d . . .
H1A H 0.3671 0.4822 0.5900 0.029 Uiso 1 1 calc R . .
H1B H 0.4547 0.3941 0.6590 0.029 Uiso 1 1 calc R . .
C2 C 0.4245(4) 0.5356(4) 0.7500(5) 0.0368(12) Uani 1 1 d D . .
H2A H 0.4422 0.4996 0.8235 0.044 Uiso 1 1 calc R . .
H2B H 0.4993 0.5721 0.7325 0.044 Uiso 1 1 calc R . .
N1 N 0.3283(5) 0.6237(3) 0.7556(3) 0.0319(11) Uani 1 1 d D . .
H1C H 0.2545(9) 0.5827(8) 0.7651(10) 0.038 Uiso 1 1 d D . .
C3 C 0.3916(5) 0.6950(5) 0.8465(5) 0.024(2) Uani 0.50 1 d PD . .
H3A H 0.4631(8) 0.714(3) 0.8214(19) 0.029 Uiso 0.50 1 d PD . .
H3B H 0.409(5) 0.6481(12) 0.9061(11) 0.029 Uiso 0.50 1 d PD . .
C4 C 0.3167(4) 0.7936(6) 0.8600(5) 0.0225(18) Uani 0.50 1 d PD . .
H4A H 0.355(2) 0.8307(16) 0.9207(11) 0.027 Uiso 0.50 1 d PD . .
H4B H 0.2348(7) 0.789(7) 0.861(5) 0.027 Uiso 0.50 1 d PD . .
C5 C -0.0249(5) 0.7500 0.6152(6) 0.0243(14) Uani 1 2 d S . .
C6 C 0.6011(6) 0.7500 0.5924(5) 0.0255(15) Uani 1 2 d S . .
C7 C 0.2511(4) 0.4249(4) 1.0562(4) 0.0239(10) Uani 1 1 d . . .
C8 C -0.0363(5) 0.2500 0.8062(5) 0.0173(12) Uani 1 2 d S . .
C9 C 0.5933(5) 0.2500 0.8450(4) 0.0149(11) Uani 1 2 d S . .
C10 C 0.2457(3) 0.5645(4) 0.3710(3) 0.0179(8) Uani 1 1 d . . .
O1W O 0.0501(3) 0.4457(3) 0.5992(2) 0.0243(7) Uani 1 1 d D . .
H1WA H 0.0007(10) 0.3895(7) 0.5933(18) 0.037 Uiso 1 1 d D . .
H1WB H 0.0139(11) 0.4737(11) 0.6518(5) 0.037 Uiso 1 1 d D . .
O2W O 0.0569(4) 0.5450(3) 0.8135(3) 0.0417(10) Uani 1 1 d D . .
H2WA H 0.0295(13) 0.4772(6) 0.8123(6) 0.050 Uiso 1 1 d D . .
H2WB H 0.1005(12) 0.5309(17) 0.8760(8) 0.062 Uiso 1 1 d D . .
O3W O -0.0056(5) 0.7500 0.9017(4) 0.0409(13) Uani 1 2 d SD . .
H3WA H -0.035(2) 0.6987(5) 0.8556(11) 0.061 Uiso 0.50 1 d PD . .


_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
Cd1 N3 2.305(5) . ?
Cd1 N2 2.311(5) . ?
Cd1 N7 2.335(3) . ?
Cd1 N7 2.335(3) 4_575 ?
Cd1 N1 2.382(4) 4_575 ?
Cd1 N1 2.382(4) . ?
Cd2 N6 2.269(5) . ?
Cd2 N4 2.311(4) . ?
Cd2 N4 2.311(4) 4_565 ?
Cd2 O1 2.313(3) 4_565 ?
Cd2 O1 2.313(3) . ?
Cd2 N5 2.328(5) . ?
Ag1 C5 2.033(6) 1_655 ?
Ag1 C6 2.038(6) . ?
Ag2 C9 2.061(5) . ?
Ag2 C8 2.078(5) 1_655 ?
Ag2 Ag3 3.0892(4) 2_646 ?
Ag2 Ag3 3.0892(4) 3_666 ?
Ag3 C10 2.049(4) . ?
Ag3 C7 2.059(4) 1_554 ?
Ag3 Ag2 3.0892(4) 3_666 ?
O1 C1 1.431(5) . ?
O1 H1 0.8200 . ?
N2 C5 1.154(8) . ?
N3 C6 1.144(8) . ?
N4 C7 1.144(6) . ?
N5 C8 1.142(7) . ?
N6 C9 1.159(7) . ?
N7 C10 1.152(5) . ?
C1 C2 1.490(7) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 N1 1.481(7) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
N1 C3 1.472(7) . ?
N1 C4 1.595(7) 4_575 ?
N1 H1C 0.959(11) . ?
C3 C4 1.437(9) . ?
C3 H3A 0.901(9) . ?
C3 H3B 0.900(9) . ?
C4 C3 0.865(8) 4_575 ?
C4 C4 1.021(14) 4_575 ?
C4 N1 1.595(7) 4_575 ?
C4 H4A 0.901(9) . ?
C4 H4B 0.900(8) . ?
C5 Ag1 2.033(6) 1_455 ?
C7 Ag3 2.059(4) 1_556 ?
C8 Ag2 2.078(5) 1_455 ?
O1W H1WA 0.849(8) . ?
O1W H1WB 0.848(7) . ?
O2W H2WA 0.849(7) . ?
O2W H2WB 0.850(8) . ?
O3W H3WA 0.849(8) . ?

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 Cd1 N2 178.98(18) . . ?
N3 Cd1 N7 90.89(13) . . ?
N2 Cd1 N7 88.36(13) . . ?
N3 Cd1 N7 90.89(13) . 4_575 ?
N2 Cd1 N7 88.36(13) . 4_575 ?
N7 Cd1 N7 85.23(17) . 4_575 ?
N3 Cd1 N1 89.43(16) . 4_575 ?
N2 Cd1 N1 91.37(16) . 4_575 ?
N7 Cd1 N1 175.79(12) . 4_575 ?
N7 Cd1 N1 98.97(12) 4_575 4_575 ?
N3 Cd1 N1 89.43(16) . . ?
N2 Cd1 N1 91.37(16) . . ?
N7 Cd1 N1 98.97(12) . . ?
N7 Cd1 N1 175.79(12) 4_575 . ?
N1 Cd1 N1 76.83(17) 4_575 . ?
N6 Cd2 N4 96.90(13) . . ?
N6 Cd2 N4 96.90(13) . 4_565 ?
N4 Cd2 N4 88.1(2) . 4_565 ?
N6 Cd2 O1 88.29(12) . 4_565 ?
N4 Cd2 O1 174.65(12) . 4_565 ?
N4 Cd2 O1 92.59(13) 4_565 4_565 ?
N6 Cd2 O1 88.29(12) . . ?
N4 Cd2 O1 92.59(13) . . ?
N4 Cd2 O1 174.65(12) 4_565 . ?
O1 Cd2 O1 86.23(15) 4_565 . ?
N6 Cd2 N5 174.71(18) . . ?
N4 Cd2 N5 86.89(13) . . ?
N4 Cd2 N5 86.89(13) 4_565 . ?
O1 Cd2 N5 87.86(12) 4_565 . ?
O1 Cd2 N5 87.86(12) . . ?
C5 Ag1 C6 177.3(3) 1_655 . ?
C9 Ag2 C8 179.6(2) . 1_655 ?
C9 Ag2 Ag3 88.68(3) . 2_646 ?
C8 Ag2 Ag3 91.39(3) 1_655 2_646 ?
C9 Ag2 Ag3 88.68(3) . 3_666 ?
C8 Ag2 Ag3 91.39(3) 1_655 3_666 ?
Ag3 Ag2 Ag3 161.750(19) 2_646 3_666 ?
C10 Ag3 C7 173.42(17) . 1_554 ?
C10 Ag3 Ag2 73.30(12) . 3_666 ?
C7 Ag3 Ag2 103.39(13) 1_554 3_666 ?
C1 O1 Cd2 126.8(2) . . ?
C1 O1 H1 109.5 . . ?
Cd2 O1 H1 102.6 . . ?
C5 N2 Cd1 176.4(5) . . ?
C6 N3 Cd1 167.3(5) . . ?
C7 N4 Cd2 158.5(4) . . ?
C8 N5 Cd2 163.0(5) . . ?
C9 N6 Cd2 170.2(4) . . ?
C10 N7 Cd1 165.7(3) . . ?
O1 C1 C2 110.5(4) . . ?
O1 C1 H1A 109.6 . . ?
C2 C1 H1A 109.6 . . ?
O1 C1 H1B 109.6 . . ?
C2 C1 H1B 109.6 . . ?
H1A C1 H1B 108.1 . . ?
N1 C2 C1 112.5(4) . . ?
N1 C2 H2A 109.1 . . ?
C1 C2 H2A 109.1 . . ?
N1 C2 H2B 109.1 . . ?
C1 C2 H2B 109.1 . . ?
H2A C2 H2B 107.8 . . ?
C3 N1 C2 99.0(4) . . ?
C3 N1 C4 32.5(3) . 4_575 ?
C2 N1 C4 125.7(4) . 4_575 ?
C3 N1 Cd1 104.4(3) . . ?
C2 N1 Cd1 117.3(3) . . ?
C4 N1 Cd1 102.1(3) 4_575 . ?
C3 N1 H1C 121.6(8) . . ?
C2 N1 H1C 105.7(7) . . ?
C4 N1 H1C 93.6(8) 4_575 . ?
Cd1 N1 H1C 109.3(7) . . ?
C4 C3 N1 108.4(5) . . ?
C4 C3 H3A 112(2) . . ?
N1 C3 H3A 104(2) . . ?
C4 C3 H3B 118(3) . . ?
N1 C3 H3B 105.5(18) . . ?
H3A C3 H3B 108(4) . . ?
C3 C4 C4 98.9(6) 4_575 4_575 ?
C3 C4 C3 62.4(7) 4_575 . ?
C4 C4 C3 36.5(3) 4_575 . ?
C3 C4 N1 65.9(6) 4_575 4_575 ?
C4 C4 N1 127.5(3) 4_575 4_575 ?
C3 C4 N1 107.5(4) . 4_575 ?
C3 C4 H4A 74.0(15) 4_575 . ?
C4 C4 H4A 118.9(13) 4_575 . ?
C3 C4 H4A 105.5(15) . . ?
N1 C4 H4A 105.1(14) 4_575 . ?
C3 C4 H4B 168(4) 4_575 . ?
C4 C4 H4B 87(5) 4_575 . ?
C3 C4 H4B 123(6) . . ?
N1 C4 H4B 102(4) 4_575 . ?
H4A C4 H4B 112(5) . . ?
N2 C5 Ag1 176.7(6) . 1_455 ?
N3 C6 Ag1 177.9(6) . . ?
N4 C7 Ag3 178.8(4) . 1_556 ?
N5 C8 Ag2 179.9(5) . 1_455 ?
N6 C9 Ag2 177.6(5) . . ?
N7 C10 Ag3 174.2(4) . . ?
H1WA O1W H1WB 90.5(14) . . ?
H2WA O2W H2WB 89.4(13) . . ?

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
N1 H1C O2W 0.959(11) 2.349(11) 3.265(7) 159.8(9) .
O1W H1WB O2W 0.848(7) 2.100(8) 2.799(5) 139.5(10) .
O2W H2WB N4 0.850(8) 2.563(15) 3.270(5) 141.4(15) .
O3W H3WA O2W 0.849(8) 2.151(15) 2.742(4) 126.5(17) .

_diffrn_measured_fraction_theta_max 0.979
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.981
_refine_diff_density_max         2.935
_refine_diff_density_min         -1.864
_refine_diff_density_rms         0.266
