# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

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

data_Compound(I)
_audit_block_doi                 10.5517/ccdc.csd.cc253dxm
_database_code_depnum_ccdc_archive 'CCDC 1999280'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1021/acs.inorgchem.0c01239 2020
_audit_update_record             
;
2020-04-26 deposited with the CCDC.	2020-09-01 downloaded from the CCDC.
;

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            'Tetrameric Silverphosphonate'
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C4 H10 Ag2 N O7 P2'
_chemical_formula_weight         461.81

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   5.6217(2)
_cell_length_b                   6.9511(2)
_cell_length_c                   13.1285(4)
_cell_angle_alpha                102.1240(10)
_cell_angle_beta                 92.8830(10)
_cell_angle_gamma                94.6650(10)
_cell_volume                     498.72(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1747
_cell_measurement_theta_min      1.59
_cell_measurement_theta_max      25.00

_exptl_crystal_description       'Rod type'
_exptl_crystal_colour            Brown
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.075
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             442
_exptl_absorpt_coefficient_mu    4.267
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4824
_exptl_absorpt_correction_T_max  0.7265
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'

_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 D8 Quest PHOTON II diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8484
_diffrn_reflns_av_R_equivalents  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0174
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.59
_diffrn_reflns_theta_max         25.00
_reflns_number_total             1747
_reflns_number_gt                1680
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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 > 2σ(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)+(0.0515P)²+1.2212P] 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         1747
_refine_ls_number_parameters     146
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0246
_refine_ls_wR_factor_ref         0.0941
_refine_ls_wR_factor_gt          0.0770
_refine_ls_goodness_of_fit_ref   1.286
_refine_ls_restrained_S_all      1.286
_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 0.25278(7) 1.06618(6) 0.89802(3) 0.02502(17) Uani 1 1 d . . .
Ag2 Ag 0.25537(7) 0.57152(6) 0.96604(3) 0.02668(17) Uani 1 1 d . . .
P2 P 0.5600(2) 0.31009(17) 0.75937(9) 0.0128(3) Uani 1 1 d . . .
P1 P 0.7171(2) 0.75467(17) 0.86398(9) 0.0134(3) Uani 1 1 d . . .
O7 O 0.5751(6) 0.1691(5) 0.6558(3) 0.0206(8) Uani 1 1 d . . .
O4 O 0.9309(6) 0.5305(5) 0.7109(3) 0.0182(7) Uani 1 1 d . . .
H4 H 1.0123 0.4886 0.7536 0.027 Uiso 1 1 calc R . .
O3 O 0.8558(6) 0.9294(5) 0.8303(3) 0.0189(7) Uani 1 1 d . . .
O6 O 0.3032(6) 0.3244(5) 0.7913(3) 0.0216(8) Uani 1 1 d . . .
O5 O 0.7198(7) 0.2559(5) 0.8471(3) 0.0238(8) Uani 1 1 d . . .
C4 C 0.0250(8) 0.1093(6) 0.6058(3) 0.0096(9) Uani 1 1 d . . .
H4A H -0.1414 0.1186 0.6208 0.011 Uiso 1 1 calc R . .
H4B H 0.1234 0.1766 0.6678 0.011 Uiso 1 1 calc R . .
O1 O 0.4654(6) 0.7994(5) 0.8913(3) 0.0237(8) Uani 1 1 d . . .
O2 O 0.8589(6) 0.6938(5) 0.9520(3) 0.0196(8) Uani 1 1 d . . .
N1 N 0.0778(10) 0.2065(8) 0.5184(4) 0.0354(12) Uani 1 1 d . . .
H1A H 0.2340 0.2037 0.5066 0.042 Uiso 1 1 calc R . .
H1B H 0.0463 0.3337 0.5353 0.042 Uiso 1 1 calc R . .
C2 C 0.5472(9) 0.6175(8) 0.6602(4) 0.0198(11) Uani 1 1 d . . .
H2A H 0.3874 0.6346 0.6807 0.030 Uiso 1 1 calc R . .
H2B H 0.5421 0.5178 0.5970 0.030 Uiso 1 1 calc R . .
H2C H 0.6204 0.7400 0.6486 0.030 Uiso 1 1 calc R . .
C3 C -0.0727(9) 0.1018(8) 0.4205(4) 0.0213(11) Uani 1 1 d . . .
H3A H -0.2409 0.1116 0.4317 0.026 Uiso 1 1 calc R . .
H3B H -0.0341 0.1641 0.3631 0.026 Uiso 1 1 calc R . .
C1 C 0.6933(8) 0.5536(7) 0.7467(4) 0.0126(9) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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 2.275(3) . ?
Ag1 O3 2.403(3) 1_455 ?
Ag1 O2 2.443(4) 2_677 ?
Ag1 O6 2.505(4) 1_565 ?
Ag2 O1 2.309(4) . ?
Ag2 O2 2.383(4) 2_667 ?
Ag2 O2 2.461(4) 1_455 ?
Ag2 O5 2.486(4) 2_667 ?
Ag2 Ag2 3.1495(9) 2_667 ?
Ag2 Ag2 3.1927(8) 2_567 ?
P2 O7 1.511(4) . ?
P2 O6 1.529(4) . ?
P2 O5 1.552(4) . ?
P2 C1 1.838(5) . ?
P1 O1 1.518(4) . ?
P1 O2 1.523(4) . ?
P1 O3 1.544(4) . ?
P1 C1 1.840(5) . ?
O4 C1 1.448(5) . ?
O4 H4 0.8200 . ?
O3 Ag1 2.403(3) 1_655 ?
O6 Ag1 2.505(4) 1_545 ?
O5 Ag2 2.486(4) 2_667 ?
C4 N1 1.480(7) . ?
C4 C3 1.485(7) 2_556 ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
O2 Ag2 2.383(4) 2_667 ?
O2 Ag1 2.443(3) 2_677 ?
O2 Ag2 2.461(4) 1_655 ?
N1 C3 1.514(7) . ?
N1 H1A 0.9000 . ?
N1 H1B 0.9000 . ?
C2 C1 1.529(6) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 C4 1.485(7) 2_556 ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?

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 O3 104.72(13) . 1_455 ?
O1 Ag1 O2 130.34(13) . 2_677 ?
O3 Ag1 O2 97.67(12) 1_455 2_677 ?
O1 Ag1 O6 126.93(13) . 1_565 ?
O3 Ag1 O6 97.97(12) 1_455 1_565 ?
O2 Ag1 O6 91.98(12) 2_677 1_565 ?
O1 Ag2 O2 164.73(13) . 2_667 ?
O1 Ag2 O2 97.71(12) . 1_455 ?
O2 Ag2 O2 97.56(11) 2_667 1_455 ?
O1 Ag2 O5 101.89(14) . 2_667 ?
O2 Ag2 O5 78.61(12) 2_667 2_667 ?
O2 Ag2 O5 86.72(12) 1_455 2_667 ?
O1 Ag2 Ag2 89.06(9) . 2_667 ?
O2 Ag2 Ag2 75.84(9) 2_667 2_667 ?
O2 Ag2 Ag2 168.01(9) 1_455 2_667 ?
O5 Ag2 Ag2 82.19(9) 2_667 2_667 ?
O1 Ag2 Ag2 145.44(9) . 2_567 ?
O2 Ag2 Ag2 49.83(9) 2_667 2_567 ?
O2 Ag2 Ag2 47.73(9) 1_455 2_567 ?
O5 Ag2 Ag2 78.96(10) 2_667 2_567 ?
Ag2 Ag2 Ag2 124.85(3) 2_667 2_567 ?
O7 P2 O6 112.7(2) . . ?
O7 P2 O5 111.5(2) . . ?
O6 P2 O5 110.5(2) . . ?
O7 P2 C1 107.2(2) . . ?
O6 P2 C1 110.1(2) . . ?
O5 P2 C1 104.5(2) . . ?
O1 P1 O2 112.6(2) . . ?
O1 P1 O3 111.9(2) . . ?
O2 P1 O3 110.3(2) . . ?
O1 P1 C1 107.9(2) . . ?
O2 P1 C1 109.5(2) . . ?
O3 P1 C1 104.2(2) . . ?
C1 O4 H4 109.5 . . ?
P1 O3 Ag1 124.4(2) . 1_655 ?
P2 O6 Ag1 102.77(19) . 1_545 ?
P2 O5 Ag2 124.8(2) . 2_667 ?
N1 C4 C3 110.8(4) . 2_556 ?
N1 C4 H4A 109.5 . . ?
C3 C4 H4A 109.5 2_556 . ?
N1 C4 H4B 109.5 . . ?
C3 C4 H4B 109.5 2_556 . ?
H4A C4 H4B 108.1 . . ?
P1 O1 Ag1 134.6(2) . . ?
P1 O1 Ag2 115.8(2) . . ?
Ag1 O1 Ag2 108.94(14) . . ?
P1 O2 Ag2 126.3(2) . 2_667 ?
P1 O2 Ag1 100.33(17) . 2_677 ?
Ag2 O2 Ag1 90.80(12) 2_667 2_677 ?
P1 O2 Ag2 133.2(2) . 1_655 ?
Ag2 O2 Ag2 82.44(11) 2_667 1_655 ?
Ag1 O2 Ag2 117.00(14) 2_677 1_655 ?
C4 N1 C3 110.2(4) . . ?
C4 N1 H1A 109.6 . . ?
C3 N1 H1A 109.6 . . ?
C4 N1 H1B 109.6 . . ?
C3 N1 H1B 109.6 . . ?
H1A N1 H1B 108.1 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 N1 109.6(4) 2_556 . ?
C4 C3 H3A 109.8 2_556 . ?
N1 C3 H3A 109.8 . . ?
C4 C3 H3B 109.8 2_556 . ?
N1 C3 H3B 109.8 . . ?
H3A C3 H3B 108.2 . . ?
O4 C1 C2 106.5(4) . . ?
O4 C1 P2 108.0(3) . . ?
C2 C1 P2 107.9(3) . . ?
O4 C1 P1 108.1(3) . . ?
C2 C1 P1 108.4(3) . . ?
P2 C1 P1 117.3(2) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.345
_refine_diff_density_min         -1.360
_refine_diff_density_rms         0.490
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Compound(II)
_audit_block_doi                 10.5517/ccdc.csd.cc253dyn
_database_code_depnum_ccdc_archive 'CCDC 1999281'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1021/acs.inorgchem.0c01239 2020
_audit_update_record             
;
2020-04-26 deposited with the CCDC.	2020-09-01 downloaded from the CCDC.
;

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            'Pentameric Silverphosphonate'
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C6 H16 Ag5 N O16 P4'
_chemical_formula_weight         1021.43

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   5.7341(3)
_cell_length_b                   13.4208(8)
_cell_length_c                   13.6754(8)
_cell_angle_alpha                80.8610(10)
_cell_angle_beta                 87.591(2)
_cell_angle_gamma                78.768(2)
_cell_volume                     1019.08(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3585
_cell_measurement_theta_min      1.51
_cell_measurement_theta_max      25.00

_exptl_crystal_description       'Rod type'
_exptl_crystal_colour            'dark Brown'
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.329
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             964
_exptl_absorpt_coefficient_mu    5.114
_exptl_absorpt_correction_type   'multi scan'
_exptl_absorpt_correction_T_min  0.3091
_exptl_absorpt_correction_T_max  0.6288
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'

_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 D8 Quest PHOTON II diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            22942
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.51
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3585
_reflns_number_gt                2980
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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 > 2σ(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)+(0.0751P)²+1.6082P] 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         3585
_refine_ls_number_parameters     298
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0343
_refine_ls_wR_factor_ref         0.1305
_refine_ls_wR_factor_gt          0.1015
_refine_ls_goodness_of_fit_ref   1.210
_refine_ls_restrained_S_all      1.211
_refine_ls_shift/su_max          0.004
_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 0.81112(11) 0.55538(5) 1.06215(4) 0.02671(19) Uani 1 1 d . . .
Ag2 Ag 0.37559(11) 0.43426(5) 0.69791(5) 0.0295(2) Uani 1 1 d . . .
Ag3 Ag 0.25575(11) 0.61576(5) 0.47239(5) 0.0308(2) Uani 1 1 d . . .
Ag4 Ag 0.24767(12) 0.65319(5) 1.00984(5) 0.0321(2) Uani 1 1 d . . .
Ag5 Ag 0.91526(13) 0.33433(6) 0.74259(5) 0.0394(2) Uani 1 1 d . . .
P1 P 0.6268(3) 0.56950(15) 0.83856(14) 0.0180(4) Uani 1 1 d . . .
P2 P 0.7789(3) 0.58582(15) 0.61735(13) 0.0176(4) Uani 1 1 d . . .
P3 P 0.5298(3) 0.19209(14) 0.64468(14) 0.0186(4) Uani 1 1 d . . .
P4 P 0.4783(4) 0.21296(15) 0.86586(14) 0.0223(4) Uani 1 1 d . . .
O1 O 0.6054(10) 0.6339(4) 0.9215(4) 0.0285(13) Uani 1 1 d . . .
O2 O 0.3856(9) 0.5460(4) 0.8149(4) 0.0266(12) Uani 1 1 d . . .
O3 O 0.8214(9) 0.4731(4) 0.8582(4) 0.0241(12) Uani 1 1 d . . .
O4 O 0.5484(10) 0.5603(5) 0.5880(4) 0.0285(13) Uani 1 1 d . . .
O5 O 0.9746(10) 0.4930(4) 0.6378(4) 0.0306(13) Uani 1 1 d . . .
O6 O 0.8617(9) 0.6681(4) 0.5368(4) 0.0231(12) Uani 1 1 d . . .
O7 O 0.9405(9) 0.6814(4) 0.7505(4) 0.0201(11) Uani 1 1 d . . .
H7 H 1.0559 0.6423 0.7317 0.030 Uiso 1 1 calc R . .
O8 O 0.3307(10) 0.2888(4) 0.6257(4) 0.0231(11) Uani 1 1 d . . .
O9 O 0.7737(10) 0.2204(4) 0.6392(4) 0.0282(13) Uani 1 1 d . . .
O10 O 0.5098(10) 0.1161(4) 0.5772(4) 0.0285(13) Uani 1 1 d . . .
O11 O 0.7230(11) 0.2380(5) 0.8692(4) 0.0361(15) Uani 1 1 d . . .
O12 O 0.2693(11) 0.3009(5) 0.8479(4) 0.0366(15) Uani 1 1 d . . .
O13 O 0.4290(10) 0.1441(4) 0.9675(4) 0.0287(13) Uani 1 1 d . . .
O14 O 0.2445(10) 0.1014(5) 0.7734(4) 0.0318(13) Uani 1 1 d . . .
H14 H 0.2337 0.0719 0.7261 0.048 Uiso 1 1 calc R . .
O15 O -0.0303(11) 0.7825(5) 0.9109(5) 0.0314(13) Uani 1 1 d D . .
H15 H -0.1614 0.7884 0.9382 0.047 Uiso 1 1 calc RD . .
C1 C 0.7250(12) 0.6496(5) 0.7278(5) 0.0142(14) Uani 1 1 d . . .
C2 C 0.5363(15) 0.7481(6) 0.7045(6) 0.0285(18) Uani 1 1 d . . .
H2A H 0.5291 0.7880 0.7573 0.043 Uiso 1 1 calc R . .
H2B H 0.3841 0.7304 0.6979 0.043 Uiso 1 1 calc R . .
H2C H 0.5779 0.7877 0.6437 0.043 Uiso 1 1 calc R . .
C3 C 0.4788(13) 0.1292(6) 0.7719(6) 0.0213(16) Uani 1 1 d . . .
C4 C 0.6628(15) 0.0303(6) 0.7957(6) 0.0301(19) Uani 1 1 d . . .
H4A H 0.6485 0.0020 0.8642 0.045 Uiso 1 1 calc R . .
H4B H 0.8194 0.0450 0.7828 0.045 Uiso 1 1 calc R . .
H4C H 0.6362 -0.0184 0.7550 0.045 Uiso 1 1 calc R . .
C5 C 1.0961(12) 0.0732(5) 0.5457(5) 0.0180(15) Uani 1 1 d . . .
H5A H 1.2332 0.1006 0.5602 0.022 Uiso 1 1 calc R . .
H5B H 0.9568 0.1118 0.5747 0.022 Uiso 1 1 calc R . .
C6 C 0.8722(15) 0.0358(6) 0.4098(6) 0.0300(19) Uani 1 1 d . . .
H6A H 0.7207 0.0722 0.4316 0.036 Uiso 1 1 calc R . .
H6B H 0.8685 0.0411 0.3383 0.036 Uiso 1 1 calc R . .
N1 N 1.0677(16) 0.0861(7) 0.4374(7) 0.053(2) Uani 1 1 d . . .
H1A H 1.2053 0.0584 0.4096 0.063 Uiso 1 1 calc R . .
O100 O 0.8299(11) 0.0518(5) 0.0636(5) 0.0442(17) Uani 1 1 d . . .
H16 H -0.045(14) 0.749(5) 0.864(4) 0.01(2) Uiso 1 1 d D . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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 2.295(6) . ?
Ag1 O3 2.349(5) 2_767 ?
Ag1 O2 2.380(5) 2_667 ?
Ag1 O12 2.409(6) 2_667 ?
Ag1 Ag1 3.0051(12) 2_767 ?
Ag1 Ag4 3.0549(9) 1_655 ?
Ag1 Ag4 3.1922(9) 2_667 ?
Ag1 Ag4 3.3041(9) . ?
Ag2 O2 2.370(6) . ?
Ag2 O8 2.384(5) . ?
Ag2 O4 2.412(5) . ?
Ag2 O5 2.415(6) 1_455 ?
Ag2 Ag3 3.1421(9) 2_666 ?
Ag2 Ag5 3.1671(10) . ?
Ag2 Ag5 3.1816(9) 1_455 ?
Ag3 O4 2.287(6) . ?
Ag3 O6 2.405(5) 1_455 ?
Ag3 O9 2.450(6) 2_666 ?
Ag3 Ag5 3.0683(10) 2_666 ?
Ag3 Ag2 3.1421(9) 2_666 ?
Ag4 O1 2.328(6) . ?
Ag4 O3 2.348(5) 2_667 ?
Ag4 O15 2.396(6) . ?
Ag4 O11 2.405(6) 2_667 ?
Ag4 Ag1 3.0549(9) 1_455 ?
Ag4 Ag1 3.1922(9) 2_667 ?
Ag5 O11 2.360(6) . ?
Ag5 O5 2.444(6) . ?
Ag5 O12 2.467(6) 1_655 ?
Ag5 O9 2.502(6) . ?
Ag5 O3 2.594(6) . ?
Ag5 Ag3 3.0683(10) 2_666 ?
Ag5 Ag2 3.1816(9) 1_655 ?
P1 O1 1.519(6) . ?
P1 O3 1.531(5) . ?
P1 O2 1.535(5) . ?
P1 C1 1.847(7) . ?
P2 O5 1.503(6) . ?
P2 O4 1.514(6) . ?
P2 O6 1.559(5) . ?
P2 C1 1.838(7) . ?
P3 O10 1.503(6) . ?
P3 O9 1.515(6) . ?
P3 O8 1.548(5) . ?
P3 C3 1.847(8) . ?
P4 O12 1.507(6) . ?
P4 O11 1.510(6) . ?
P4 O13 1.589(5) . ?
P4 C3 1.836(8) . ?
O2 Ag1 2.380(5) 2_667 ?
O3 Ag4 2.348(5) 2_667 ?
O3 Ag1 2.349(5) 2_767 ?
O5 Ag2 2.415(6) 1_655 ?
O6 Ag3 2.405(5) 1_655 ?
O7 C1 1.444(8) . ?
O7 H7 0.8200 . ?
O9 Ag3 2.450(6) 2_666 ?
O11 Ag4 2.405(6) 2_667 ?
O12 Ag1 2.409(6) 2_667 ?
O12 Ag5 2.467(6) 1_455 ?
O14 C3 1.461(9) . ?
O14 H14 0.8200 . ?
O15 H15 0.8200 . ?
O15 H16 0.851(10) . ?
C1 C2 1.536(10) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 C4 1.525(10) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 C6 1.473(11) 2_756 ?
C5 N1 1.476(12) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C5 1.473(11) 2_756 ?
C6 N1 1.504(12) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
N1 H1A 0.9000 . ?
N1 H2A 0.9000 . ?

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 O3 144.48(18) . 2_767 ?
O1 Ag1 O2 117.86(19) . 2_667 ?
O3 Ag1 O2 97.63(18) 2_767 2_667 ?
O1 Ag1 O12 97.6(2) . 2_667 ?
O3 Ag1 O12 81.8(2) 2_767 2_667 ?
O2 Ag1 O12 91.8(2) 2_667 2_667 ?
O1 Ag1 Ag1 89.88(14) . 2_767 ?
O3 Ag1 Ag1 70.95(14) 2_767 2_767 ?
O2 Ag1 Ag1 117.67(14) 2_667 2_767 ?
O12 Ag1 Ag1 141.63(17) 2_667 2_767 ?
O1 Ag1 Ag4 95.47(14) . 1_655 ?
O3 Ag1 Ag4 49.42(12) 2_767 1_655 ?
O2 Ag1 Ag4 146.32(13) 2_667 1_655 ?
O12 Ag1 Ag4 78.24(16) 2_667 1_655 ?
Ag1 Ag1 Ag4 63.57(2) 2_767 1_655 ?
O1 Ag1 Ag4 84.66(14) . 2_667 ?
O3 Ag1 Ag4 108.38(13) 2_767 2_667 ?
O2 Ag1 Ag4 68.95(14) 2_667 2_667 ?
O12 Ag1 Ag4 158.92(16) 2_667 2_667 ?
Ag1 Ag1 Ag4 58.98(2) 2_767 2_667 ?
Ag4 Ag1 Ag4 122.54(2) 1_655 2_667 ?
O1 Ag1 Ag4 44.78(14) . . ?
O3 Ag1 Ag4 159.07(14) 2_767 . ?
O2 Ag1 Ag4 78.75(14) 2_667 . ?
O12 Ag1 Ag4 77.71(15) 2_667 . ?
Ag1 Ag1 Ag4 129.11(3) 2_767 . ?
Ag4 Ag1 Ag4 128.73(3) 1_655 . ?
Ag4 Ag1 Ag4 89.72(2) 2_667 . ?
O2 Ag2 O8 161.95(18) . . ?
O2 Ag2 O4 83.66(19) . . ?
O8 Ag2 O4 114.19(19) . . ?
O2 Ag2 O5 100.87(19) . 1_455 ?
O8 Ag2 O5 80.65(19) . 1_455 ?
O4 Ag2 O5 96.04(19) . 1_455 ?
O2 Ag2 Ag3 128.05(13) . 2_666 ?
O8 Ag2 Ag3 65.88(13) . 2_666 ?
O4 Ag2 Ag3 55.16(15) . 2_666 ?
O5 Ag2 Ag3 112.50(13) 1_455 2_666 ?
O2 Ag2 Ag5 89.64(14) . . ?
O8 Ag2 Ag5 90.05(13) . . ?
O4 Ag2 Ag5 82.82(14) . . ?
O5 Ag2 Ag5 169.26(14) 1_455 . ?
Ag3 Ag2 Ag5 58.20(2) 2_666 . ?
O2 Ag2 Ag5 108.11(13) . 1_455 ?
O8 Ag2 Ag5 59.15(13) . 1_455 ?
O4 Ag2 Ag5 144.56(13) . 1_455 ?
O5 Ag2 Ag5 49.50(13) 1_455 1_455 ?
Ag3 Ag2 Ag5 123.83(3) 2_666 1_455 ?
Ag5 Ag2 Ag5 129.16(3) . 1_455 ?
O4 Ag3 O6 115.63(19) . 1_455 ?
O4 Ag3 O9 122.09(19) . 2_666 ?
O6 Ag3 O9 91.31(17) 1_455 2_666 ?
O4 Ag3 Ag5 151.85(15) . 2_666 ?
O6 Ag3 Ag5 92.52(12) 1_455 2_666 ?
O9 Ag3 Ag5 52.49(14) 2_666 2_666 ?
O4 Ag3 Ag2 90.62(15) . 2_666 ?
O6 Ag3 Ag2 153.59(12) 1_455 2_666 ?
O9 Ag3 Ag2 75.87(13) 2_666 2_666 ?
Ag5 Ag3 Ag2 61.31(2) 2_666 2_666 ?
O1 Ag4 O3 120.63(19) . 2_667 ?
O1 Ag4 O15 106.9(2) . . ?
O3 Ag4 O15 129.71(19) 2_667 . ?
O1 Ag4 O11 107.4(2) . 2_667 ?
O3 Ag4 O11 87.63(19) 2_667 2_667 ?
O15 Ag4 O11 93.4(2) . 2_667 ?
O1 Ag4 Ag1 142.56(14) . 1_455 ?
O3 Ag4 Ag1 49.44(13) 2_667 1_455 ?
O15 Ag4 Ag1 83.10(14) . 1_455 ?
O11 Ag4 Ag1 107.89(14) 2_667 1_455 ?
O1 Ag4 Ag1 85.13(14) . 2_667 ?
O3 Ag4 Ag1 67.39(14) 2_667 2_667 ?
O15 Ag4 Ag1 103.75(15) . 2_667 ?
O11 Ag4 Ag1 154.96(15) 2_667 2_667 ?
Ag1 Ag4 Ag1 57.46(2) 1_455 2_667 ?
O1 Ag4 Ag1 43.98(14) . . ?
O3 Ag4 Ag1 83.09(13) 2_667 . ?
O15 Ag4 Ag1 147.13(14) . . ?
O11 Ag4 Ag1 84.69(16) 2_667 . ?
Ag1 Ag4 Ag1 128.73(3) 1_455 . ?
Ag1 Ag4 Ag1 90.28(2) 2_667 . ?
O11 Ag5 O5 153.9(2) . . ?
O11 Ag5 O12 89.2(2) . 1_655 ?
O5 Ag5 O12 99.8(2) . 1_655 ?
O11 Ag5 O9 81.91(19) . . ?
O5 Ag5 O9 109.53(19) . . ?
O12 Ag5 O9 129.83(19) 1_655 . ?
O11 Ag5 O3 83.10(19) . . ?
O5 Ag5 O3 75.55(17) . . ?
O12 Ag5 O3 75.97(18) 1_655 . ?
O9 Ag5 O3 149.68(18) . . ?
O11 Ag5 Ag3 122.78(15) . 2_666 ?
O5 Ag5 Ag3 59.45(14) . 2_666 ?
O12 Ag5 Ag3 144.01(15) 1_655 2_666 ?
O9 Ag5 Ag3 50.94(13) . 2_666 ?
O3 Ag5 Ag3 120.17(11) . 2_666 ?
O11 Ag5 Ag2 79.14(16) . . ?
O5 Ag5 Ag2 81.45(14) . . ?
O12 Ag5 Ag2 151.30(14) 1_655 . ?
O9 Ag5 Ag2 74.73(13) . . ?
O3 Ag5 Ag2 76.65(12) . . ?
Ag3 Ag5 Ag2 60.50(2) 2_666 . ?
O11 Ag5 Ag2 142.29(15) . 1_655 ?
O5 Ag5 Ag2 48.70(14) . 1_655 ?
O12 Ag5 Ag2 53.79(15) 1_655 1_655 ?
O9 Ag5 Ag2 125.43(12) . 1_655 ?
O3 Ag5 Ag2 81.13(12) . 1_655 ?
Ag3 Ag5 Ag2 94.69(2) 2_666 1_655 ?
Ag2 Ag5 Ag2 129.16(3) . 1_655 ?
O1 P1 O3 112.1(3) . . ?
O1 P1 O2 111.6(3) . . ?
O3 P1 O2 113.1(3) . . ?
O1 P1 C1 105.9(3) . . ?
O3 P1 C1 106.1(3) . . ?
O2 P1 C1 107.5(3) . . ?
O5 P2 O4 113.1(3) . . ?
O5 P2 O6 110.0(3) . . ?
O4 P2 O6 110.8(3) . . ?
O5 P2 C1 109.5(3) . . ?
O4 P2 C1 109.0(3) . . ?
O6 P2 C1 104.0(3) . . ?
O10 P3 O9 112.3(3) . . ?
O10 P3 O8 111.7(3) . . ?
O9 P3 O8 111.4(3) . . ?
O10 P3 C3 106.5(3) . . ?
O9 P3 C3 108.6(3) . . ?
O8 P3 C3 106.0(3) . . ?
O12 P4 O11 118.1(4) . . ?
O12 P4 O13 107.3(3) . . ?
O11 P4 O13 108.6(3) . . ?
O12 P4 C3 108.7(4) . . ?
O11 P4 C3 108.8(4) . . ?
O13 P4 C3 104.5(3) . . ?
P1 O1 Ag1 114.9(3) . . ?
P1 O1 Ag4 117.0(3) . . ?
Ag1 O1 Ag4 91.24(18) . . ?
P1 O2 Ag2 118.4(3) . . ?
P1 O2 Ag1 119.2(3) . 2_667 ?
Ag2 O2 Ag1 92.24(19) . 2_667 ?
P1 O3 Ag4 116.5(3) . 2_667 ?
P1 O3 Ag1 131.0(3) . 2_767 ?
Ag4 O3 Ag1 81.15(16) 2_667 2_767 ?
P1 O3 Ag5 124.0(3) . . ?
Ag4 O3 Ag5 89.87(17) 2_667 . ?
Ag1 O3 Ag5 99.66(19) 2_767 . ?
P2 O4 Ag3 140.5(3) . . ?
P2 O4 Ag2 118.6(3) . . ?
Ag3 O4 Ag2 100.5(2) . . ?
P2 O5 Ag2 143.8(4) . 1_655 ?
P2 O5 Ag5 122.5(3) . . ?
Ag2 O5 Ag5 81.80(17) 1_655 . ?
P2 O6 Ag3 114.2(3) . 1_655 ?
C1 O7 H7 109.5 . . ?
P3 O8 Ag2 117.2(3) . . ?
P3 O9 Ag3 107.1(3) . 2_666 ?
P3 O9 Ag5 126.1(3) . . ?
Ag3 O9 Ag5 76.57(16) 2_666 . ?
P4 O11 Ag5 127.0(4) . . ?
P4 O11 Ag4 112.8(3) . 2_667 ?
Ag5 O11 Ag4 94.4(2) . 2_667 ?
P4 O12 Ag1 124.8(3) . 2_667 ?
P4 O12 Ag5 133.3(4) . 1_455 ?
Ag1 O12 Ag5 101.7(2) 2_667 1_455 ?
C3 O14 H14 109.5 . . ?
Ag4 O15 H15 109.5 . . ?
Ag4 O15 H16 99(5) . . ?
H15 O15 H16 103.4 . . ?
O7 C1 C2 106.5(6) . . ?
O7 C1 P2 108.7(4) . . ?
C2 C1 P2 109.3(5) . . ?
O7 C1 P1 109.0(4) . . ?
C2 C1 P1 108.5(5) . . ?
P2 C1 P1 114.5(4) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O14 C3 C4 108.0(6) . . ?
O14 C3 P4 108.0(5) . . ?
C4 C3 P4 111.0(6) . . ?
O14 C3 P3 106.8(5) . . ?
C4 C3 P3 109.5(5) . . ?
P4 C3 P3 113.4(4) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 N1 111.2(7) 2_756 . ?
C6 C5 H5A 109.4 2_756 . ?
N1 C5 H5A 109.4 . . ?
C6 C5 H5B 109.4 2_756 . ?
N1 C5 H5B 109.4 . . ?
H5A C5 H5B 108.0 . . ?
C5 C6 N1 112.3(7) 2_756 . ?
C5 C6 H6A 109.1 2_756 . ?
N1 C6 H6A 109.1 . . ?
C5 C6 H6B 109.1 2_756 . ?
N1 C6 H6B 109.1 . . ?
H6A C6 H6B 107.9 . . ?
C5 N1 C6 111.9(7) . . ?
C5 N1 H1A 109.2 . . ?
C6 N1 H1A 109.2 . . ?
C5 N1 H2A 109.2 . . ?
C6 N1 H2A 109.2 . . ?
H1A N1 H2A 107.9 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.588
_refine_diff_density_min         -3.090
_refine_diff_density_rms         0.608

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

data_Compound(2)
_database_code_depnum_ccdc_archive 'CCDC 2011076'
loop_
_audit_author_name
_audit_author_address
'Avijit Paul'
;NIT Kurukshetra
India
;
_audit_update_record             
;
2020-06-21 deposited with the CCDC.	2020-09-01 downloaded from the CCDC.
;

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            'Dimeric Silverphosphonate'
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C12 H16 Ag2 N2 O9 P2'
_chemical_formula_weight         609.95

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   Cc

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

_cell_length_a                   13.7091(4)
_cell_length_b                   18.1676(5)
_cell_length_c                   7.1474(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.8510(10)
_cell_angle_gamma                90.00
_cell_volume                     1776.12(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4392
_cell_measurement_theta_min      1.86
_cell_measurement_theta_max      28.29

_exptl_crystal_description       'Rod type'
_exptl_crystal_colour            'Light brown'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.281
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1192
_exptl_absorpt_coefficient_mu    2.437
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6414
_exptl_absorpt_correction_T_max  0.8289
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'

_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 D8 Quest PHOTON II diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16167
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_av_sigmaI/netI    0.0473
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         1.86
_diffrn_reflns_theta_max         28.29
_reflns_number_total             4392
_reflns_number_gt                3711
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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 > 2σ(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)+(0.0569P)²+0.0000P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(3)
_refine_ls_number_reflns         4392
_refine_ls_number_parameters     260
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0335
_refine_ls_wR_factor_ref         0.1161
_refine_ls_wR_factor_gt          0.0804
_refine_ls_goodness_of_fit_ref   1.177
_refine_ls_restrained_S_all      1.176
_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 1.08587(4) 0.46972(3) 0.87409(6) 0.04025(17) Uani 1 1 d . . .
Ag2 Ag 0.30285(4) 0.54773(3) 0.24913(8) 0.04464(18) Uani 1 1 d . . .
P2 P 0.20109(14) 0.71152(10) 0.3291(3) 0.0258(3) Uani 1 1 d . . .
P1 P 0.21586(12) 0.62065(9) 0.6996(2) 0.0235(3) Uani 1 1 d . . .
O1 O 0.1920(3) 0.6418(3) 0.2115(6) 0.0313(10) Uani 1 1 d . . .
O2 O 0.2993(4) 0.7459(3) 0.3532(7) 0.0442(14) Uani 1 1 d . . .
O3 O 0.1284(4) 0.7715(3) 0.2388(8) 0.0399(13) Uani 1 1 d . . .
O4 O 0.0538(3) 0.6657(3) 0.5162(7) 0.0312(10) Uani 1 1 d . . .
H4 H 0.0217 0.6969 0.4564 0.047 Uiso 1 1 calc R . .
O5 O 0.3150(4) 0.6466(3) 0.7700(7) 0.0356(11) Uani 1 1 d . . .
O6 O 0.1459(4) 0.6090(3) 0.8664(7) 0.0345(12) Uani 1 1 d . . .
O7 O 0.2123(4) 0.5491(2) 0.5894(7) 0.0296(10) Uani 1 1 d . . .
N1 N 0.4579(4) 0.5326(3) 0.3365(8) 0.0288(12) Uani 1 1 d . . .
N2 N 0.9446(4) 0.4879(4) 0.7198(8) 0.0294(12) Uani 1 1 d . . .
C3 C 0.6529(5) 0.5150(3) 0.4761(9) 0.0220(12) Uani 1 1 d . . .
C2 C 0.6101(6) 0.5845(4) 0.4506(12) 0.0355(16) Uani 1 1 d . . .
H2 H 0.6467 0.6266 0.4788 0.043 Uiso 1 1 calc R . .
C12 C 0.1503(6) 0.7630(4) 0.6761(11) 0.0357(16) Uani 1 1 d . . .
H12A H 0.2161 0.7797 0.7037 0.054 Uiso 1 1 calc R . .
H12B H 0.1204 0.7531 0.7911 0.054 Uiso 1 1 calc R . .
H12C H 0.1137 0.8003 0.6071 0.054 Uiso 1 1 calc R . .
C4 C 0.7540(5) 0.5063(4) 0.5556(9) 0.0236(12) Uani 1 1 d . . .
C10 C 0.8124(5) 0.5668(4) 0.6133(10) 0.0309(14) Uani 1 1 d . . .
H10 H 0.7881 0.6144 0.5992 0.037 Uiso 1 1 calc R . .
C6 C 0.5947(5) 0.4563(4) 0.4210(12) 0.0351(17) Uani 1 1 d . . .
H6 H 0.6208 0.4091 0.4274 0.042 Uiso 1 1 calc R . .
C7 C 0.7967(5) 0.4367(4) 0.5833(11) 0.0344(16) Uani 1 1 d . . .
H7 H 0.7617 0.3947 0.5463 0.041 Uiso 1 1 calc R . .
C9 C 0.9059(5) 0.5551(4) 0.6907(11) 0.0333(16) Uani 1 1 d . . .
H9 H 0.9441 0.5959 0.7247 0.040 Uiso 1 1 calc R . .
C1 C 0.5138(6) 0.5907(4) 0.3837(12) 0.0389(17) Uani 1 1 d . . .
H1 H 0.4865 0.6374 0.3710 0.047 Uiso 1 1 calc R . .
C8 C 0.8900(5) 0.4301(4) 0.6650(11) 0.0358(16) Uani 1 1 d . . .
H8 H 0.9161 0.3832 0.6829 0.043 Uiso 1 1 calc R . .
C5 C 0.4983(5) 0.4660(4) 0.3563(11) 0.0318(16) Uani 1 1 d . . .
H5 H 0.4603 0.4247 0.3256 0.038 Uiso 1 1 calc R . .
C11 C 0.1515(4) 0.6927(3) 0.5590(9) 0.0222(12) Uani 1 1 d . . .
O100 O 0.9465(5) 0.7517(4) 0.1237(10) 0.0603(18) Uani 1 1 d D . .
O101 O 0.4103(5) 0.7334(5) 0.0524(10) 0.080(3) Uani 1 1 d D . .
H10C H 0.920(8) 0.735(6) 0.021(8) 0.07(4) Uiso 1 1 d D . .
H10E H 0.911(6) 0.778(5) 0.190(13) 0.07(4) Uiso 1 1 d D . .
H10A H 0.402(13) 0.705(8) -0.042(15) 0.14(6) Uiso 1 1 d D . .
H10B H 0.385(6) 0.737(5) 0.157(6) 0.04(2) Uiso 1 1 d D . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.188(5) . ?
Ag1 O7 2.265(5) 2_665 ?
Ag1 Ag2 3.1786(8) 2_665 ?
Ag2 N1 2.192(6) . ?
Ag2 O1 2.290(5) . ?
Ag2 O7 2.398(5) 2_564 ?
Ag2 Ag1 3.1786(8) 2_464 ?
P2 O2 1.484(5) . ?
P2 O1 1.521(5) . ?
P2 O3 1.585(5) . ?
P2 C11 1.852(6) . ?
P1 O5 1.493(5) . ?
P1 O7 1.519(5) . ?
P1 O6 1.594(5) . ?
P1 C11 1.840(6) . ?
O4 C11 1.440(7) . ?
O4 H4 0.8200 . ?
O7 Ag1 2.265(5) 2_464 ?
O7 Ag2 2.398(4) 2_565 ?
N1 C1 1.334(9) . ?
N1 C5 1.335(9) . ?
N2 C8 1.333(10) . ?
N2 C9 1.343(10) . ?
C3 C6 1.374(9) . ?
C3 C2 1.399(9) . ?
C3 C4 1.470(9) . ?
C2 C1 1.378(10) . ?
C2 H2 0.9300 . ?
C12 C11 1.528(9) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C4 C7 1.402(10) . ?
C4 C10 1.406(9) . ?
C10 C9 1.378(10) . ?
C10 H10 0.9300 . ?
C6 C5 1.382(10) . ?
C6 H6 0.9300 . ?
C7 C8 1.375(10) . ?
C7 H7 0.9300 . ?
C9 H9 0.9300 . ?
C1 H1 0.9300 . ?
C8 H8 0.9300 . ?
C5 H5 0.9300 . ?
O100 H10C 0.851(10) . ?
O100 H10E 0.851(10) . ?
O101 H10A 0.849(10) . ?
O101 H10B 0.848(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 O7 167.4(2) . 2_665 ?
N2 Ag1 Ag2 133.36(16) . 2_665 ?
O7 Ag1 Ag2 59.21(13) 2_665 2_665 ?
N1 Ag2 O1 138.6(2) . . ?
N1 Ag2 O7 120.31(19) . 2_564 ?
O1 Ag2 O7 99.98(18) . 2_564 ?
N1 Ag2 Ag1 144.61(16) . 2_464 ?
O1 Ag2 Ag1 58.76(13) . 2_464 ?
O7 Ag2 Ag1 66.18(13) 2_564 2_464 ?
O2 P2 O1 117.0(3) . . ?
O2 P2 O3 107.4(3) . . ?
O1 P2 O3 108.8(3) . . ?
O2 P2 C11 111.1(3) . . ?
O1 P2 C11 108.4(3) . . ?
O3 P2 C11 103.3(3) . . ?
O5 P1 O7 116.2(3) . . ?
O5 P1 O6 111.7(3) . . ?
O7 P1 O6 105.9(3) . . ?
O5 P1 C11 110.6(3) . . ?
O7 P1 C11 109.1(3) . . ?
O6 P1 C11 102.3(3) . . ?
P2 O1 Ag2 121.8(3) . . ?
C11 O4 H4 109.5 . . ?
P1 O7 Ag1 118.6(3) . 2_464 ?
P1 O7 Ag2 112.5(2) . 2_565 ?
Ag1 O7 Ag2 124.1(2) 2_464 2_565 ?
C1 N1 C5 117.6(6) . . ?
C1 N1 Ag2 120.2(5) . . ?
C5 N1 Ag2 122.1(5) . . ?
C8 N2 C9 117.6(6) . . ?
C8 N2 Ag1 119.3(5) . . ?
C9 N2 Ag1 122.8(5) . . ?
C6 C3 C2 115.6(6) . . ?
C6 C3 C4 122.8(6) . . ?
C2 C3 C4 121.6(6) . . ?
C1 C2 C3 120.1(7) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C7 C4 C10 116.1(6) . . ?
C7 C4 C3 121.7(6) . . ?
C10 C4 C3 122.2(6) . . ?
C9 C10 C4 119.6(7) . . ?
C9 C10 H10 120.2 . . ?
C4 C10 H10 120.2 . . ?
C3 C6 C5 121.5(6) . . ?
C3 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C8 C7 C4 120.4(7) . . ?
C8 C7 H7 119.8 . . ?
C4 C7 H7 119.8 . . ?
N2 C9 C10 123.3(7) . . ?
N2 C9 H9 118.3 . . ?
C10 C9 H9 118.3 . . ?
N1 C1 C2 123.0(7) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
N2 C8 C7 123.0(7) . . ?
N2 C8 H8 118.5 . . ?
C7 C8 H8 118.5 . . ?
N1 C5 C6 122.1(6) . . ?
N1 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
O4 C11 C12 110.9(5) . . ?
O4 C11 P1 106.2(4) . . ?
C12 C11 P1 108.5(5) . . ?
O4 C11 P2 105.5(4) . . ?
C12 C11 P2 110.5(4) . . ?
P1 C11 P2 115.2(3) . . ?
H10C O100 H10E 117(10) . . ?
H10A O101 H10B 135(10) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        28.29
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.753
_refine_diff_density_min         -1.325
_refine_diff_density_rms         0.408
####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2011075'
loop_
_audit_author_name
_audit_author_address
'Avijit Paul'
;NIT Kurukshetra
India
;
_audit_update_record             
;
2020-07-08 deposited with the CCDC.	2020-09-01 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT430_shelx               
;
PROBLEM: Short Inter D...A Contact  O1       ..O1       .       2.43 Ang.   
RESPONSE: As the hydrogen atom is not located, observed hydrogen bonds are missing in symmetry generated atoms.
;
# end Validation Reply Form

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            '1D Silver diphosphonate'
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C11 H10 Ag N2 O8 P2'
_chemical_formula_weight         468.02

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'
P P 0.1023 0.0942 '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/n

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

_cell_length_a                   5.4579(5)
_cell_length_b                   10.4871(9)
_cell_length_c                   13.0653(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.130(3)
_cell_angle_gamma                90.00
_cell_volume                     747.31(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1461
_cell_measurement_theta_min      1.94
_cell_measurement_theta_max      26.00

_exptl_crystal_description       'Rod like'
_exptl_crystal_colour            'light brown'
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.080
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             462
_exptl_absorpt_coefficient_mu    1.609
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6270
_exptl_absorpt_correction_T_max  0.8687
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'

_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 D8 Quest PHOTON II diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            2952
_diffrn_reflns_av_R_equivalents  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0290
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.94
_diffrn_reflns_theta_max         26.00
_reflns_number_total             1461
_reflns_number_gt                1384
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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 > 2σ(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)+(0.0000P)²+6.6543P] 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         1461
_refine_ls_number_parameters     114
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0501
_refine_ls_wR_factor_ref         0.1319
_refine_ls_wR_factor_gt          0.1260
_refine_ls_goodness_of_fit_ref   1.348
_refine_ls_restrained_S_all      1.348
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.2500 0.20862(8) 0.7500 0.0397(3) Uani 1 2 d S . .
N1 N 0.5226(10) 0.1288(5) 0.6448(4) 0.0286(12) Uani 1 1 d . . .
C3 C 0.9011(11) 0.0267(6) 0.5308(5) 0.0220(13) Uani 1 1 d . . .
C1 C 0.6600(12) 0.2035(7) 0.5877(5) 0.0302(15) Uani 1 1 d . . .
H1 H 0.6266 0.2904 0.5855 0.036 Uiso 1 1 calc R . .
C2 C 0.8501(12) 0.1569(7) 0.5318(5) 0.0287(14) Uani 1 1 d . . .
H2 H 0.9446 0.2127 0.4945 0.034 Uiso 1 1 calc R . .
C4 C 0.7552(13) -0.0499(7) 0.5905(5) 0.0315(15) Uani 1 1 d . . .
H4 H 0.7815 -0.1375 0.5933 0.038 Uiso 1 1 calc R . .
C5 C 0.5721(13) 0.0044(7) 0.6453(5) 0.0310(15) Uani 1 1 d . . .
H5 H 0.4775 -0.0487 0.6850 0.037 Uiso 1 1 calc R . .
P1 P 0.0716(3) 0.50995(16) 0.65662(12) 0.0231(4) Uani 1 1 d . . .
O1 O -0.0449(9) 0.4017(4) 0.7165(4) 0.0304(11) Uani 1 1 d . . .
O2 O 0.2640(9) 0.4509(5) 0.5856(4) 0.0367(12) Uani 1 1 d . . .
O3 O -0.1089(8) 0.5932(5) 0.5986(3) 0.0293(11) Uani 1 1 d . . .
C6 C 0.2500 0.6073(9) 0.7500 0.032(2) Uani 1 2 d S . .
O4 O 0.4306(14) 0.6864(7) 0.6914(6) 0.081(3) Uani 1 1 d . . .
H2A H 0.224(16) 0.444(8) 0.519(7) 0.05(3) Uiso 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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 2.226(5) . ?
Ag1 N1 2.226(6) 2_556 ?
N1 C1 1.332(9) . ?
N1 C5 1.333(9) . ?
C3 C4 1.391(9) . ?
C3 C2 1.393(9) . ?
C3 C3 1.481(12) 3_756 ?
C1 C2 1.381(9) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C4 C5 1.374(10) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
P1 O3 1.501(4) . ?
P1 O1 1.530(5) . ?
P1 O2 1.556(5) . ?
P1 C6 1.841(6) . ?
O2 H2A 0.90(9) . ?
C6 O4 1.517(8) . ?
C6 O4 1.517(8) 2_556 ?
C6 P1 1.841(6) 2_556 ?

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 N1 135.8(3) . 2_556 ?
C1 N1 C5 117.4(6) . . ?
C1 N1 Ag1 121.9(5) . . ?
C5 N1 Ag1 120.4(5) . . ?
C4 C3 C2 116.2(6) . . ?
C4 C3 C3 122.0(7) . 3_756 ?
C2 C3 C3 121.7(8) . 3_756 ?
N1 C1 C2 122.6(6) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C1 C2 C3 120.4(6) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C5 C4 C3 119.7(6) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
N1 C5 C4 123.7(7) . . ?
N1 C5 H5 118.2 . . ?
C4 C5 H5 118.2 . . ?
O3 P1 O1 114.4(3) . . ?
O3 P1 O2 112.0(3) . . ?
O1 P1 O2 108.2(3) . . ?
O3 P1 C6 109.5(3) . . ?
O1 P1 C6 107.0(3) . . ?
O2 P1 C6 105.3(2) . . ?
P1 O2 H2A 118(6) . . ?
O4 C6 O4 113.7(9) . 2_556 ?
O4 C6 P1 107.8(3) . . ?
O4 C6 P1 107.4(3) 2_556 . ?
O4 C6 P1 107.4(3) . 2_556 ?
O4 C6 P1 107.8(3) 2_556 2_556 ?
P1 C6 P1 112.7(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
N1 Ag1 N1 C1 178.1(6) 2_556 . . . ?
N1 Ag1 N1 C5 -9.2(5) 2_556 . . . ?
C5 N1 C1 C2 -1.0(10) . . . . ?
Ag1 N1 C1 C2 171.9(5) . . . . ?
N1 C1 C2 C3 1.9(11) . . . . ?
C4 C3 C2 C1 -1.5(10) . . . . ?
C3 C3 C2 C1 178.1(7) 3_756 . . . ?
C2 C3 C4 C5 0.5(10) . . . . ?
C3 C3 C4 C5 -179.2(7) 3_756 . . . ?
C1 N1 C5 C4 -0.1(11) . . . . ?
Ag1 N1 C5 C4 -173.1(6) . . . . ?
C3 C4 C5 N1 0.3(11) . . . . ?
O3 P1 C6 O4 -73.9(5) . . . . ?
O1 P1 C6 O4 161.6(5) . . . . ?
O2 P1 C6 O4 46.7(6) . . . . ?
O3 P1 C6 O4 49.0(6) . . . 2_556 ?
O1 P1 C6 O4 -75.4(6) . . . 2_556 ?
O2 P1 C6 O4 169.6(5) . . . 2_556 ?
O3 P1 C6 P1 167.7(2) . . . 2_556 ?
O1 P1 C6 P1 43.2(2) . . . 2_556 ?
O2 P1 C6 P1 -71.7(2) . . . 2_556 ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.566
_refine_diff_density_min         -0.738
_refine_diff_density_rms         0.132
