# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Li-Min Zheng'
_publ_contact_author_email       LMZHENG@NETRA.NJU.EDU.CN

_publ_section_title              
;
Ag(I)-Mediated Formation of Pyrodiphosphonate Coupled
with C-C Bond Cleavage of Acetonitrile
;
loop_
_publ_author_name
'Li-Min Zheng'
'Song-Song Bao'
'Li-Rong Guo'
'Yi-Zhi Li'

# Attachment 'Ag1.cif'

data_71214cm
_database_code_depnum_ccdc_archive 'CCDC 714777'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C13 H10 Ag3 N O5 P2'
_chemical_formula_sum            'C13 H10 Ag3 N O5 P2'
_chemical_formula_weight         645.77

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'
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 '
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   5.9189(16)
_cell_length_b                   11.184(3)
_cell_length_c                   12.773(3)
_cell_angle_alpha                82.257(5)
_cell_angle_beta                 87.149(5)
_cell_angle_gamma                85.936(4)
_cell_volume                     835.0(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    787
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      27.81

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.568
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             612
_exptl_absorpt_coefficient_mu    3.698
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.40
_exptl_absorpt_correction_T_max  0.44
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4496
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_av_sigmaI/netI    0.0671
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         2.60
_diffrn_reflns_theta_max         26.00
_reflns_number_total             3184
_reflns_number_gt                2395
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.07P)^2^+1.99P] where P=(Fo^2^+2Fc^2^)/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         3184
_refine_ls_number_parameters     217
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0785
_refine_ls_R_factor_gt           0.0551
_refine_ls_wR_factor_ref         0.1334
_refine_ls_wR_factor_gt          0.1283
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.064
_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 1.26197(13) 0.23374(7) 0.48304(6) 0.0356(2) Uani 1 1 d . . .
Ag2 Ag 1.22067(12) -0.01934(6) 0.41855(5) 0.0302(2) Uani 1 1 d . . .
Ag3 Ag 0.34313(13) -0.27567(7) 0.37951(6) 0.0353(2) Uani 1 1 d . . .
C1 C 0.6869(18) 0.3035(10) 0.2659(9) 0.040(2) Uani 1 1 d . . .
C2 C 0.4823(19) 0.3202(10) 0.2148(8) 0.041(2) Uani 1 1 d . . .
H2 H 0.3865 0.2571 0.2199 0.049 Uiso 1 1 calc R . .
C3 C 0.421(2) 0.4289(10) 0.1571(9) 0.047(3) Uani 1 1 d . . .
H3 H 0.2842 0.4406 0.1236 0.056 Uiso 1 1 calc R . .
C4 C 0.570(2) 0.5226(10) 0.1496(8) 0.046(3) Uani 1 1 d . . .
H4 H 0.5322 0.5957 0.1086 0.055 Uiso 1 1 calc R . .
C5 C 0.7692(17) 0.5090(9) 0.2010(8) 0.038(2) Uani 1 1 d . . .
H5 H 0.8631 0.5728 0.1972 0.046 Uiso 1 1 calc R . .
C6 C 0.8292(17) 0.3977(9) 0.2594(9) 0.039(2) Uani 1 1 d . . .
H6 H 0.9651 0.3866 0.2941 0.047 Uiso 1 1 calc R . .
C7 C 0.8134(16) -0.1211(9) 0.1614(8) 0.033(2) Uani 1 1 d . . .
C8 C 0.656(2) -0.1131(10) 0.0834(9) 0.044(3) Uani 1 1 d . . .
H8 H 0.5072 -0.0841 0.0964 0.053 Uiso 1 1 calc R . .
C9 C 0.7222(19) -0.1492(10) -0.0151(9) 0.042(2) Uani 1 1 d . . .
H9 H 0.6163 -0.1449 -0.0671 0.051 Uiso 1 1 calc R . .
C10 C 0.940(2) -0.1904(12) -0.0356(9) 0.047(3) Uani 1 1 d . . .
H10 H 0.9814 -0.2139 -0.1014 0.057 Uiso 1 1 calc R . .
C11 C 1.1001(19) -0.1975(9) 0.0412(8) 0.040(2) Uani 1 1 d . . .
H11 H 1.2490 -0.2252 0.0271 0.049 Uiso 1 1 calc R . .
C12 C 1.0351(18) -0.1628(9) 0.1397(8) 0.037(2) Uani 1 1 d . . .
H12 H 1.1415 -0.1676 0.1915 0.044 Uiso 1 1 calc R . .
C13 C 1.2495(18) 0.4305(9) 0.4504(8) 0.040(2) Uani 0.50 1 d P . 1
C13' C 1.2694(18) 0.5223(10) 0.4251(8) 0.045(2) Uani 0.50 1 d P . 2
N1 N 1.2694(18) 0.5223(10) 0.4251(8) 0.045(2) Uani 0.50 1 d P . 1
N1' N 1.2495(18) 0.4305(9) 0.4504(8) 0.040(2) Uani 0.50 1 d P . 2
O1 O 1.0143(12) 0.1616(7) 0.3629(6) 0.0431(18) Uani 1 1 d . . .
O2 O 0.6175(11) 0.1394(6) 0.4384(5) 0.0370(16) Uani 1 1 d . . .
O3 O 0.7387(12) 0.0705(6) 0.2611(6) 0.0388(16) Uani 1 1 d . . .
O4 O 0.8945(11) -0.1247(6) 0.3665(5) 0.0312(14) Uani 1 1 d . . .
O5 O 0.4793(11) -0.1052(7) 0.3060(6) 0.0387(16) Uani 1 1 d . . .
P1 P 0.7724(5) 0.1629(2) 0.3425(2) 0.0355(6) Uani 1 1 d . . .
P2 P 0.7228(4) -0.0746(2) 0.2845(2) 0.0301(5) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.0362(4) 0.0355(4) 0.0357(4) 0.0023(3) -0.0111(3) -0.0122(3)
Ag2 0.0302(4) 0.0287(4) 0.0304(4) 0.0019(3) 0.0029(3) -0.0083(3)
Ag3 0.0356(4) 0.0333(4) 0.0387(4) -0.0084(3) -0.0099(3) -0.0009(3)
C1 0.040(6) 0.035(5) 0.044(6) -0.005(4) -0.005(5) -0.003(4)
C2 0.043(6) 0.042(6) 0.036(5) 0.012(5) -0.013(4) -0.004(5)
C3 0.046(6) 0.045(6) 0.045(6) 0.016(5) -0.013(5) -0.007(5)
C4 0.051(7) 0.045(6) 0.035(6) 0.018(5) 0.004(5) -0.011(5)
C5 0.035(6) 0.035(5) 0.041(6) 0.003(4) 0.011(4) -0.016(4)
C6 0.030(5) 0.039(6) 0.046(6) 0.000(5) -0.003(4) -0.003(4)
C7 0.035(5) 0.032(5) 0.036(5) -0.011(4) -0.011(4) -0.010(4)
C8 0.042(6) 0.048(6) 0.046(6) -0.017(5) -0.008(5) 0.008(5)
C9 0.045(6) 0.044(6) 0.044(6) -0.020(5) -0.009(5) -0.008(5)
C10 0.040(6) 0.063(8) 0.042(6) -0.008(5) 0.004(5) -0.018(5)
C11 0.048(6) 0.038(6) 0.034(6) -0.013(5) 0.000(5) 0.018(5)
C12 0.044(6) 0.038(6) 0.031(5) -0.020(4) -0.012(4) 0.017(4)
C13 0.053(6) 0.021(5) 0.045(5) -0.004(4) -0.025(4) 0.018(4)
C13' 0.043(6) 0.047(7) 0.044(6) -0.005(5) -0.004(4) -0.005(4)
N1 0.043(6) 0.047(7) 0.044(6) -0.005(5) -0.004(4) -0.005(4)
N1' 0.053(6) 0.021(5) 0.045(5) -0.004(4) -0.025(4) 0.018(4)
O1 0.034(4) 0.042(4) 0.057(5) -0.018(4) -0.023(3) 0.010(3)
O2 0.034(4) 0.042(4) 0.035(4) 0.002(3) -0.011(3) -0.012(3)
O3 0.046(4) 0.030(4) 0.041(4) -0.007(3) -0.004(3) 0.007(3)
O4 0.039(4) 0.033(3) 0.023(3) 0.002(3) -0.012(3) -0.012(3)
O5 0.028(4) 0.047(4) 0.043(4) -0.011(3) 0.004(3) -0.017(3)
P1 0.0370(14) 0.0333(13) 0.0356(14) -0.0037(11) -0.0035(11) 0.0010(10)
P2 0.0253(12) 0.0275(12) 0.0374(14) -0.0007(10) -0.0017(10) -0.0069(9)

_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 C13 2.181(10) . ?
Ag1 O4 2.322(6) 2_756 ?
Ag1 O2 2.365(7) 1_655 ?
Ag1 O1 2.425(7) . ?
Ag1 Ag2 3.0816(13) . ?
Ag1 Ag3 3.0904(12) 2_756 ?
Ag2 O5 2.297(7) 1_655 ?
Ag2 O2 2.322(7) 2_756 ?
Ag2 O1 2.333(7) . ?
Ag2 O4 2.494(6) . ?
Ag2 Ag3 3.0077(13) 1_655 ?
Ag2 Ag2 3.2988(15) 2_756 ?
Ag3 O5 2.197(7) . ?
Ag3 N1 2.322(11) 1_445 ?
Ag3 C13' 2.322(11) 1_445 ?
Ag3 Ag2 3.0077(13) 1_455 ?
Ag3 Ag1 3.0904(12) 2_756 ?
C1 C6 1.386(15) . ?
C1 C2 1.393(15) . ?
C1 P1 1.790(11) . ?
C2 C3 1.369(15) . ?
C2 H2 0.9300 . ?
C3 C4 1.407(16) . ?
C3 H3 0.9300 . ?
C4 C5 1.366(16) . ?
C4 H4 0.9300 . ?
C5 C6 1.395(15) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.389(14) . ?
C7 C12 1.389(14) . ?
C7 P2 1.767(10) . ?
C8 C9 1.401(15) . ?
C8 H8 0.9300 . ?
C9 C10 1.363(16) . ?
C9 H9 0.9300 . ?
C10 C11 1.389(16) . ?
C10 H10 0.9300 . ?
C11 C12 1.394(14) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13' Ag3 2.322(11) 1_665 ?
O1 P1 1.467(8) . ?
O2 P1 1.499(7) . ?
O2 Ag2 2.322(7) 2_756 ?
O2 Ag1 2.365(7) 1_455 ?
O3 P1 1.589(7) . ?
O3 P2 1.618(7) . ?
O4 P2 1.520(7) . ?
O4 Ag1 2.322(6) 2_756 ?
O5 P2 1.508(7) . ?
O5 Ag2 2.297(7) 1_455 ?

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
C13 Ag1 O4 125.0(3) . 2_756 ?
C13 Ag1 O2 113.5(3) . 1_655 ?
O4 Ag1 O2 109.4(2) 2_756 1_655 ?
C13 Ag1 O1 107.9(3) . . ?
O4 Ag1 O1 94.6(3) 2_756 . ?
O2 Ag1 O1 102.2(2) 1_655 . ?
C13 Ag1 Ag2 152.6(2) . . ?
O4 Ag1 Ag2 76.10(16) 2_756 . ?
O2 Ag1 Ag2 67.46(16) 1_655 . ?
O1 Ag1 Ag2 48.35(17) . . ?
C13 Ag1 Ag3 82.1(2) . 2_756 ?
O4 Ag1 Ag3 86.96(16) 2_756 2_756 ?
O2 Ag1 Ag3 64.49(16) 1_655 2_756 ?
O1 Ag1 Ag3 166.14(17) . 2_756 ?
Ag2 Ag1 Ag3 119.30(3) . 2_756 ?
O5 Ag2 O2 89.9(3) 1_655 2_756 ?
O5 Ag2 O1 120.9(3) 1_655 . ?
O2 Ag2 O1 145.3(3) 2_756 . ?
O5 Ag2 O4 94.6(2) 1_655 . ?
O2 Ag2 O4 107.7(2) 2_756 . ?
O1 Ag2 O4 86.9(2) . . ?
O5 Ag2 Ag3 46.60(18) 1_655 1_655 ?
O2 Ag2 Ag3 66.41(18) 2_756 1_655 ?
O1 Ag2 Ag3 146.30(17) . 1_655 ?
O4 Ag2 Ag3 66.42(16) . 1_655 ?
O5 Ag2 Ag1 122.91(17) 1_655 . ?
O2 Ag2 Ag1 100.32(17) 2_756 . ?
O1 Ag2 Ag1 50.94(17) . . ?
O4 Ag2 Ag1 132.92(16) . . ?
Ag3 Ag2 Ag1 160.49(3) 1_655 . ?
O5 Ag2 Ag2 161.57(17) 1_655 2_756 ?
O2 Ag2 Ag2 85.59(18) 2_756 2_756 ?
O1 Ag2 Ag2 69.7(2) . 2_756 ?
O4 Ag2 Ag2 69.90(16) . 2_756 ?
Ag3 Ag2 Ag2 115.75(3) 1_655 2_756 ?
Ag1 Ag2 Ag2 75.51(3) . 2_756 ?
O5 Ag3 N1 164.4(3) . 1_445 ?
O5 Ag3 C13' 164.4(3) . 1_445 ?
N1 Ag3 C13' 0.0(6) 1_445 1_445 ?
O5 Ag3 Ag2 49.43(18) . 1_455 ?
N1 Ag3 Ag2 146.2(3) 1_445 1_455 ?
C13' Ag3 Ag2 146.2(3) 1_445 1_455 ?
O5 Ag3 Ag1 74.42(19) . 2_756 ?
N1 Ag3 Ag1 105.5(3) 1_445 2_756 ?
C13' Ag3 Ag1 105.5(3) 1_445 2_756 ?
Ag2 Ag3 Ag1 79.59(3) 1_455 2_756 ?
C6 C1 C2 120.0(10) . . ?
C6 C1 P1 118.2(8) . . ?
C2 C1 P1 121.8(8) . . ?
C3 C2 C1 120.5(11) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 118.7(11) . . ?
C2 C3 H3 120.6 . . ?
C4 C3 H3 120.6 . . ?
C5 C4 C3 121.8(10) . . ?
C5 C4 H4 119.1 . . ?
C3 C4 H4 119.1 . . ?
C4 C5 C6 118.8(9) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 H5 120.6 . . ?
C1 C6 C5 120.2(10) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C8 C7 C12 119.3(9) . . ?
C8 C7 P2 118.1(8) . . ?
C12 C7 P2 122.7(7) . . ?
C7 C8 C9 119.5(10) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 H8 120.3 . . ?
C10 C9 C8 120.9(11) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 120.3(10) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C10 C11 C12 119.2(10) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
C7 C12 C11 120.9(9) . . ?
C7 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
P1 O1 Ag2 120.8(5) . . ?
P1 O1 Ag1 139.9(5) . . ?
Ag2 O1 Ag1 80.7(2) . . ?
P1 O2 Ag2 115.0(4) . 2_756 ?
P1 O2 Ag1 130.9(4) . 1_455 ?
Ag2 O2 Ag1 112.8(3) 2_756 1_455 ?
P1 O3 P2 128.6(5) . . ?
P2 O4 Ag1 114.0(4) . 2_756 ?
P2 O4 Ag2 126.6(4) . . ?
Ag1 O4 Ag2 108.5(2) 2_756 . ?
P2 O5 Ag3 129.2(5) . . ?
P2 O5 Ag2 126.4(4) . 1_455 ?
Ag3 O5 Ag2 84.0(2) . 1_455 ?
O1 P1 O2 115.6(4) . . ?
O1 P1 O3 109.0(4) . . ?
O2 P1 O3 110.8(4) . . ?
O1 P1 C1 109.1(5) . . ?
O2 P1 C1 110.3(5) . . ?
O3 P1 C1 101.0(4) . . ?
O5 P2 O4 118.2(4) . . ?
O5 P2 O3 110.2(4) . . ?
O4 P2 O3 108.2(4) . . ?
O5 P2 C7 107.8(4) . . ?
O4 P2 C7 109.0(4) . . ?
O3 P2 C7 102.2(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
C13 Ag1 Ag2 O5 70.8(7) . . . 1_655 ?
O4 Ag1 Ag2 O5 -145.4(3) 2_756 . . 1_655 ?
O2 Ag1 Ag2 O5 -27.1(3) 1_655 . . 1_655 ?
O1 Ag1 Ag2 O5 105.3(3) . . . 1_655 ?
Ag3 Ag1 Ag2 O5 -67.0(2) 2_756 . . 1_655 ?
C13 Ag1 Ag2 O2 167.4(7) . . . 2_756 ?
O4 Ag1 Ag2 O2 -48.7(2) 2_756 . . 2_756 ?
O2 Ag1 Ag2 O2 69.5(3) 1_655 . . 2_756 ?
O1 Ag1 Ag2 O2 -158.1(3) . . . 2_756 ?
Ag3 Ag1 Ag2 O2 29.64(18) 2_756 . . 2_756 ?
C13 Ag1 Ag2 O1 -34.5(7) . . . . ?
O4 Ag1 Ag2 O1 109.4(3) 2_756 . . . ?
O2 Ag1 Ag2 O1 -132.4(3) 1_655 . . . ?
Ag3 Ag1 Ag2 O1 -172.3(3) 2_756 . . . ?
C13 Ag1 Ag2 O4 -66.4(7) . . . . ?
O4 Ag1 Ag2 O4 77.5(3) 2_756 . . . ?
O2 Ag1 Ag2 O4 -164.3(3) 1_655 . . . ?
O1 Ag1 Ag2 O4 -31.9(3) . . . . ?
Ag3 Ag1 Ag2 O4 155.8(2) 2_756 . . . ?
C13 Ag1 Ag2 Ag3 122.2(6) . . . 1_655 ?
O4 Ag1 Ag2 Ag3 -93.98(19) 2_756 . . 1_655 ?
O2 Ag1 Ag2 Ag3 24.2(2) 1_655 . . 1_655 ?
O1 Ag1 Ag2 Ag3 156.6(3) . . . 1_655 ?
Ag3 Ag1 Ag2 Ag3 -15.62(12) 2_756 . . 1_655 ?
C13 Ag1 Ag2 Ag2 -109.9(6) . . . 2_756 ?
O4 Ag1 Ag2 Ag2 33.93(17) 2_756 . . 2_756 ?
O2 Ag1 Ag2 Ag2 152.15(18) 1_655 . . 2_756 ?
O1 Ag1 Ag2 Ag2 -75.4(3) . . . 2_756 ?
Ag3 Ag1 Ag2 Ag2 112.30(4) 2_756 . . 2_756 ?
C6 C1 C2 C3 0.6(17) . . . . ?
P1 C1 C2 C3 179.8(9) . . . . ?
C1 C2 C3 C4 0.7(18) . . . . ?
C2 C3 C4 C5 -2.2(18) . . . . ?
C3 C4 C5 C6 2.3(17) . . . . ?
C2 C1 C6 C5 -0.6(16) . . . . ?
P1 C1 C6 C5 -179.7(8) . . . . ?
C4 C5 C6 C1 -0.9(16) . . . . ?
C12 C7 C8 C9 1.0(17) . . . . ?
P2 C7 C8 C9 180.0(9) . . . . ?
C7 C8 C9 C10 -0.8(18) . . . . ?
C8 C9 C10 C11 0.1(18) . . . . ?
C9 C10 C11 C12 0.4(18) . . . . ?
C8 C7 C12 C11 -0.5(16) . . . . ?
P2 C7 C12 C11 -179.4(8) . . . . ?
C10 C11 C12 C7 -0.2(17) . . . . ?
O5 Ag2 O1 P1 107.1(5) 1_655 . . . ?
O2 Ag2 O1 P1 -103.5(5) 2_756 . . . ?
O4 Ag2 O1 P1 13.6(5) . . . . ?
Ag3 Ag2 O1 P1 50.2(7) 1_655 . . . ?
Ag1 Ag2 O1 P1 -143.6(6) . . . . ?
Ag2 Ag2 O1 P1 -56.1(5) 2_756 . . . ?
O5 Ag2 O1 Ag1 -109.2(2) 1_655 . . . ?
O2 Ag2 O1 Ag1 40.1(5) 2_756 . . . ?
O4 Ag2 O1 Ag1 157.2(2) . . . . ?
Ag3 Ag2 O1 Ag1 -166.19(16) 1_655 . . . ?
Ag2 Ag2 O1 Ag1 87.50(18) 2_756 . . . ?
C13 Ag1 O1 P1 -68.2(8) . . . . ?
O4 Ag1 O1 P1 60.9(8) 2_756 . . . ?
O2 Ag1 O1 P1 171.9(7) 1_655 . . . ?
Ag2 Ag1 O1 P1 127.6(9) . . . . ?
Ag3 Ag1 O1 P1 157.0(3) 2_756 . . . ?
C13 Ag1 O1 Ag2 164.1(3) . . . . ?
O4 Ag1 O1 Ag2 -66.7(3) 2_756 . . . ?
O2 Ag1 O1 Ag2 44.2(3) 1_655 . . . ?
Ag3 Ag1 O1 Ag2 29.4(10) 2_756 . . . ?
O5 Ag2 O4 P2 -95.5(5) 1_655 . . . ?
O2 Ag2 O4 P2 173.1(4) 2_756 . . . ?
O1 Ag2 O4 P2 25.3(5) . . . . ?
Ag3 Ag2 O4 P2 -133.5(5) 1_655 . . . ?
Ag1 Ag2 O4 P2 49.6(5) . . . . ?
Ag2 Ag2 O4 P2 94.8(5) 2_756 . . . ?
O5 Ag2 O4 Ag1 123.0(3) 1_655 . . 2_756 ?
O2 Ag2 O4 Ag1 31.6(3) 2_756 . . 2_756 ?
O1 Ag2 O4 Ag1 -116.2(3) . . . 2_756 ?
Ag3 Ag2 O4 Ag1 84.9(2) 1_655 . . 2_756 ?
Ag1 Ag2 O4 Ag1 -92.0(3) . . . 2_756 ?
Ag2 Ag2 O4 Ag1 -46.7(2) 2_756 . . 2_756 ?
N1 Ag3 O5 P2 -48.1(15) 1_445 . . . ?
C13' Ag3 O5 P2 -48.1(15) 1_445 . . . ?
Ag2 Ag3 O5 P2 133.2(6) 1_455 . . . ?
Ag1 Ag3 O5 P2 43.7(5) 2_756 . . . ?
N1 Ag3 O5 Ag2 178.7(11) 1_445 . . 1_455 ?
C13' Ag3 O5 Ag2 178.7(11) 1_445 . . 1_455 ?
Ag1 Ag3 O5 Ag2 -89.53(17) 2_756 . . 1_455 ?
Ag2 O1 P1 O2 71.7(6) . . . . ?
Ag1 O1 P1 O2 -42.8(9) . . . . ?
Ag2 O1 P1 O3 -53.8(6) . . . . ?
Ag1 O1 P1 O3 -168.4(6) . . . . ?
Ag2 O1 P1 C1 -163.2(5) . . . . ?
Ag1 O1 P1 C1 82.2(8) . . . . ?
Ag2 O2 P1 O1 -28.5(6) 2_756 . . . ?
Ag1 O2 P1 O1 137.3(5) 1_455 . . . ?
Ag2 O2 P1 O3 96.1(4) 2_756 . . . ?
Ag1 O2 P1 O3 -98.1(5) 1_455 . . . ?
Ag2 O2 P1 C1 -152.9(4) 2_756 . . . ?
Ag1 O2 P1 C1 12.8(7) 1_455 . . . ?
P2 O3 P1 O1 82.0(7) . . . . ?
P2 O3 P1 O2 -46.3(7) . . . . ?
P2 O3 P1 C1 -163.2(6) . . . . ?
C6 C1 P1 O1 -15.4(10) . . . . ?
C2 C1 P1 O1 165.4(9) . . . . ?
C6 C1 P1 O2 112.7(9) . . . . ?
C2 C1 P1 O2 -66.5(10) . . . . ?
C6 C1 P1 O3 -130.1(8) . . . . ?
C2 C1 P1 O3 50.8(10) . . . . ?
Ag3 O5 P2 O4 -38.4(7) . . . . ?
Ag2 O5 P2 O4 77.3(6) 1_455 . . . ?
Ag3 O5 P2 O3 -163.5(5) . . . . ?
Ag2 O5 P2 O3 -47.9(6) 1_455 . . . ?
Ag3 O5 P2 C7 85.7(6) . . . . ?
Ag2 O5 P2 C7 -158.6(5) 1_455 . . . ?
Ag1 O4 P2 O5 -3.0(6) 2_756 . . . ?
Ag2 O4 P2 O5 -142.7(4) . . . . ?
Ag1 O4 P2 O3 123.2(4) 2_756 . . . ?
Ag2 O4 P2 O3 -16.6(6) . . . . ?
Ag1 O4 P2 C7 -126.4(4) 2_756 . . . ?
Ag2 O4 P2 C7 93.8(5) . . . . ?
P1 O3 P2 O5 91.0(6) . . . . ?
P1 O3 P2 O4 -39.7(7) . . . . ?
P1 O3 P2 C7 -154.7(6) . . . . ?
C8 C7 P2 O5 33.7(10) . . . . ?
C12 C7 P2 O5 -147.4(9) . . . . ?
C8 C7 P2 O4 163.2(8) . . . . ?
C12 C7 P2 O4 -17.9(10) . . . . ?
C8 C7 P2 O3 -82.4(9) . . . . ?
C12 C7 P2 O3 96.5(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         0.858
_refine_diff_density_min         -1.616
_refine_diff_density_rms         0.177


# Attachment 'Ag2.cif'

data_glr-2
_database_code_depnum_ccdc_archive 'CCDC 714778'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C9 H6 Ag3 N O5 P2 S2'
_chemical_formula_sum            'C9 H6 Ag3 N O5 P2 S2'
_chemical_formula_weight         657.82

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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 '
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   5.8048(9)
_cell_length_b                   10.7814(16)
_cell_length_c                   12.4020(18)
_cell_angle_alpha                83.7850(10)
_cell_angle_beta                 85.432(3)
_cell_angle_gamma                81.368(2)
_cell_volume                     761.3(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    1249
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      24.27

_exptl_crystal_description       lamina
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.870
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             620
_exptl_absorpt_coefficient_mu    4.323
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.28
_exptl_absorpt_correction_T_max  0.35
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4163
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_sigmaI/netI    0.0718
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.92
_diffrn_reflns_theta_max         26.00
_reflns_number_total             2931
_reflns_number_gt                2069
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0671P)^2^+1.6238P] where P=(Fo^2^+2Fc^2^)/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         2931
_refine_ls_number_parameters     199
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0822
_refine_ls_R_factor_gt           0.0581
_refine_ls_wR_factor_ref         0.1380
_refine_ls_wR_factor_gt          0.1328
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.064
_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
O3 O 0.7501(13) -0.0728(6) 0.2436(6) 0.0425(17) Uani 1 1 d . . .
Ag1 Ag 0.64410(16) 0.28786(8) 0.00586(7) 0.0485(3) Uani 1 1 d . . .
Ag2 Ag 0.74296(14) 0.00950(7) -0.07076(6) 0.0439(3) Uani 1 1 d . . .
Ag3 Ag 1.09991(15) 0.27544(9) 0.11850(7) 0.0479(3) Uani 1 1 d . . .
C5 C 0.6097(19) 0.1315(10) 0.3433(8) 0.040(2) Uani 1 1 d . . .
C6 C 0.3794(19) 0.1640(11) 0.3730(9) 0.046(3) Uani 1 1 d . . .
H6 H 0.2561 0.1523 0.3334 0.056 Uiso 1 1 calc R . .
C7 C 0.355(2) 0.2191(11) 0.4740(9) 0.051(3) Uani 1 1 d . . .
H7 H 0.2125 0.2580 0.5023 0.061 Uiso 1 1 calc R . .
C8 C 0.746(2) 0.1269(11) 0.4364(9) 0.049(3) Uani 1 1 d . . .
H8 H 0.8971 0.0842 0.4410 0.059 Uiso 1 1 calc R . .
C9 C 0.7398(18) 0.4572(9) -0.0431(8) 0.044(2) Uani 0.50 1 d P A 1
C9' C 0.7702(19) 0.5579(10) -0.0691(8) 0.047(2) Uani 0.50 1 d P . 2
N1 N 0.7702(19) 0.5579(10) -0.0691(8) 0.047(2) Uani 0.50 1 d P . 1
N1' N 0.7398(18) 0.4572(9) -0.0431(8) 0.044(2) Uani 0.50 1 d P A 2
O4 O 0.5777(13) 0.1225(6) 0.1299(6) 0.0401(16) Uani 1 1 d . A .
O5 O 0.9766(13) 0.1056(7) 0.1998(6) 0.0432(17) Uani 1 1 d . . .
P2 P 0.7378(4) 0.0778(2) 0.21848(19) 0.0307(5) Uani 1 1 d . A .
S2 S 0.5984(5) 0.2084(3) 0.5366(2) 0.0443(6) Uani 1 1 d . . .
P1 P 0.7493(4) -0.1750(2) 0.1578(2) 0.0315(5) Uani 1 1 d . A .
C1 C 0.8618(18) -0.3140(9) 0.2361(8) 0.038(2) Uani 1 1 d . . .
O1 O 0.5077(13) -0.1848(7) 0.1322(6) 0.0392(16) Uani 1 1 d . . .
O2 O 0.9123(12) -0.1435(7) 0.0616(6) 0.0406(17) Uani 1 1 d . . .
C2 C 1.070(2) -0.3351(11) 0.2882(8) 0.048(3) Uani 1 1 d . . .
H2 H 1.1684 -0.2741 0.2866 0.057 Uiso 1 1 calc R . .
C4 C 0.743(2) -0.4183(10) 0.2541(9) 0.047(3) Uani 1 1 d . . .
H4 H 0.6037 -0.4246 0.2246 0.056 Uiso 1 1 calc R . .
C3 C 1.120(2) -0.4553(10) 0.3428(9) 0.048(3) Uani 1 1 d . . .
H3 H 1.2567 -0.4875 0.3766 0.057 Uiso 1 1 calc R . .
S1 S 0.8914(5) -0.5317(3) 0.3373(2) 0.0484(7) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
O3 0.051(4) 0.029(4) 0.048(4) -0.005(3) 0.011(3) -0.015(3)
Ag1 0.0504(5) 0.0479(5) 0.0473(5) 0.0150(4) -0.0136(4) -0.0156(4)
Ag2 0.0455(5) 0.0400(5) 0.0398(4) 0.0128(3) -0.0003(3) 0.0020(3)
Ag3 0.0427(5) 0.0551(5) 0.0467(5) -0.0086(4) 0.0107(4) -0.0148(4)
C5 0.044(6) 0.048(6) 0.029(5) 0.003(4) 0.002(4) -0.016(5)
C6 0.040(6) 0.054(7) 0.045(6) -0.028(5) -0.012(5) 0.016(5)
C7 0.046(6) 0.061(7) 0.037(5) -0.014(5) 0.011(5) 0.019(5)
C8 0.055(7) 0.054(7) 0.044(6) -0.016(5) 0.006(5) -0.021(6)
C9 0.053(6) 0.026(5) 0.050(6) 0.005(4) 0.013(5) -0.014(4)
C9' 0.052(6) 0.040(6) 0.049(6) -0.014(5) 0.012(5) -0.013(5)
N1 0.052(6) 0.040(6) 0.049(6) -0.014(5) 0.012(5) -0.013(5)
N1' 0.053(6) 0.026(5) 0.050(6) 0.005(4) 0.013(5) -0.014(4)
O4 0.043(4) 0.036(4) 0.041(4) -0.001(3) -0.014(3) -0.003(3)
O5 0.051(4) 0.036(4) 0.045(4) -0.014(3) 0.017(3) -0.017(3)
P2 0.0305(13) 0.0315(12) 0.0303(12) -0.0007(10) 0.0032(10) -0.0090(10)
S2 0.0462(15) 0.0495(15) 0.0407(13) -0.0165(11) 0.0163(11) -0.0194(12)
P1 0.0326(12) 0.0319(12) 0.0294(12) -0.0022(10) 0.0032(9) -0.0057(10)
C1 0.036(5) 0.034(5) 0.043(6) 0.002(4) 0.000(4) -0.006(4)
O1 0.046(4) 0.038(4) 0.033(3) 0.003(3) -0.012(3) -0.004(3)
O2 0.034(4) 0.039(4) 0.039(4) 0.009(3) -0.004(3) 0.019(3)
C2 0.058(7) 0.051(6) 0.033(5) 0.007(5) -0.010(5) -0.009(5)
C4 0.052(6) 0.046(6) 0.037(6) 0.014(5) 0.009(5) -0.011(5)
C3 0.055(7) 0.041(6) 0.045(6) 0.020(5) -0.020(5) -0.007(5)
S1 0.0429(15) 0.0419(15) 0.0498(16) 0.0175(12) 0.0138(12) 0.0035(11)

_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
O3 P2 1.612(7) . ?
O3 P1 1.614(8) . ?
Ag1 C9 2.005(9) . ?
Ag1 O4 2.283(7) . ?
Ag1 O1 2.428(7) 2_655 ?
Ag1 Ag3 3.0679(13) . ?
Ag1 Ag2 3.2020(13) . ?
Ag1 Ag3 3.3663(13) 1_455 ?
Ag2 O1 2.304(7) 2_655 ?
Ag2 O2 2.359(6) . ?
Ag2 O5 2.482(7) 2_755 ?
Ag2 Ag3 3.1760(13) 2_755 ?
Ag2 Ag2 3.2227(17) 2_655 ?
Ag3 N1 2.066(10) 2_765 ?
Ag3 C9' 2.066(10) 2_765 ?
Ag3 O5 2.182(7) . ?
Ag3 Ag2 3.1760(13) 2_755 ?
Ag3 Ag1 3.3663(13) 1_655 ?
C5 C6 1.362(16) . ?
C5 C8 1.443(15) . ?
C5 P2 1.779(11) . ?
C6 C7 1.432(15) . ?
C6 H6 0.9300 . ?
C7 S2 1.649(13) . ?
C7 H7 0.9300 . ?
C8 S2 1.701(12) . ?
C8 H8 0.9300 . ?
C9' Ag3 2.066(10) 2_765 ?
O4 P2 1.489(7) . ?
O5 P2 1.457(8) . ?
O5 Ag2 2.482(7) 2_755 ?
P1 O1 1.483(7) . ?
P1 O2 1.504(7) . ?
P1 C1 1.764(10) . ?
C1 C4 1.393(15) . ?
C1 C2 1.394(15) . ?
O1 Ag2 2.304(7) 2_655 ?
O1 Ag1 2.428(7) 2_655 ?
C2 C3 1.397(15) . ?
C2 H2 0.9300 . ?
C4 S1 1.688(11) . ?
C4 H4 0.9300 . ?
C3 S1 1.672(12) . ?
C3 H3 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
P2 O3 P1 127.7(5) . . ?
C9 Ag1 O4 155.0(4) . . ?
C9 Ag1 O1 115.7(3) . 2_655 ?
O4 Ag1 O1 89.2(2) . 2_655 ?
C9 Ag1 Ag3 77.7(3) . . ?
O4 Ag1 Ag3 84.62(17) . . ?
O1 Ag1 Ag3 138.78(18) 2_655 . ?
C9 Ag1 Ag2 137.5(3) . . ?
O4 Ag1 Ag2 61.65(18) . . ?
O1 Ag1 Ag2 45.80(16) 2_655 . ?
Ag3 Ag1 Ag2 96.94(3) . . ?
C9 Ag1 Ag3 118.5(3) . 1_455 ?
O4 Ag1 Ag3 60.91(18) . 1_455 ?
O1 Ag1 Ag3 81.03(18) 2_655 1_455 ?
Ag3 Ag1 Ag3 128.83(4) . 1_455 ?
Ag2 Ag1 Ag3 97.81(3) . 1_455 ?
O1 Ag2 O2 155.3(2) 2_655 . ?
O1 Ag2 O5 120.4(3) 2_655 2_755 ?
O2 Ag2 O5 84.2(3) . 2_755 ?
O1 Ag2 Ag3 139.99(18) 2_655 2_755 ?
O2 Ag2 Ag3 58.21(18) . 2_755 ?
O5 Ag2 Ag3 43.24(16) 2_755 2_755 ?
O1 Ag2 Ag1 49.06(18) 2_655 . ?
O2 Ag2 Ag1 113.47(19) . . ?
O5 Ag2 Ag1 136.77(16) 2_755 . ?
Ag3 Ag2 Ag1 170.94(4) 2_755 . ?
O1 Ag2 Ag2 74.64(18) 2_655 2_655 ?
O2 Ag2 Ag2 85.98(17) . 2_655 ?
O5 Ag2 Ag2 141.78(17) 2_755 2_655 ?
Ag3 Ag2 Ag2 101.38(4) 2_755 2_655 ?
Ag1 Ag2 Ag2 80.66(4) . 2_655 ?
N1 Ag3 C9' 0.0(7) 2_765 2_765 ?
N1 Ag3 O5 169.7(3) 2_765 . ?
C9' Ag3 O5 169.7(3) 2_765 . ?
N1 Ag3 Ag1 106.8(3) 2_765 . ?
C9' Ag3 Ag1 106.8(3) 2_765 . ?
O5 Ag3 Ag1 80.5(2) . . ?
N1 Ag3 Ag2 134.1(3) 2_765 2_755 ?
C9' Ag3 Ag2 134.1(3) 2_765 2_755 ?
O5 Ag3 Ag2 51.19(18) . 2_755 ?
Ag1 Ag3 Ag2 91.65(3) . 2_755 ?
N1 Ag3 Ag1 56.6(3) 2_765 1_655 ?
C9' Ag3 Ag1 56.6(3) 2_765 1_655 ?
O5 Ag3 Ag1 124.6(2) . 1_655 ?
Ag1 Ag3 Ag1 128.83(4) . 1_655 ?
Ag2 Ag3 Ag1 78.87(3) 2_755 1_655 ?
C6 C5 C8 109.5(10) . . ?
C6 C5 P2 128.4(9) . . ?
C8 C5 P2 121.4(9) . . ?
C5 C6 C7 109.9(10) . . ?
C5 C6 H6 125.0 . . ?
C7 C6 H6 125.0 . . ?
C6 C7 S2 115.1(8) . . ?
C6 C7 H7 122.5 . . ?
S2 C7 H7 122.5 . . ?
C5 C8 S2 112.2(9) . . ?
C5 C8 H8 123.9 . . ?
S2 C8 H8 123.9 . . ?
P2 O4 Ag1 121.1(4) . . ?
P2 O5 Ag3 128.6(5) . . ?
P2 O5 Ag2 120.6(4) . 2_755 ?
Ag3 O5 Ag2 85.6(2) . 2_755 ?
O5 P2 O4 117.0(4) . . ?
O5 P2 O3 107.6(4) . . ?
O4 P2 O3 109.0(4) . . ?
O5 P2 C5 110.5(5) . . ?
O4 P2 C5 110.0(5) . . ?
O3 P2 C5 101.8(4) . . ?
C7 S2 C8 90.0(6) . . ?
O1 P1 O2 115.5(4) . . ?
O1 P1 O3 111.1(4) . . ?
O2 P1 O3 108.2(4) . . ?
O1 P1 C1 108.8(4) . . ?
O2 P1 C1 111.9(4) . . ?
O3 P1 C1 100.3(5) . . ?
C4 C1 C2 111.5(9) . . ?
C4 C1 P1 122.0(8) . . ?
C2 C1 P1 126.5(8) . . ?
P1 O1 Ag2 121.3(4) . 2_655 ?
P1 O1 Ag1 132.1(4) . 2_655 ?
Ag2 O1 Ag1 85.1(2) 2_655 2_655 ?
P1 O2 Ag2 114.4(3) . . ?
C1 C2 C3 114.5(11) . . ?
C1 C2 H2 122.8 . . ?
C3 C2 H2 122.8 . . ?
C1 C4 S1 109.9(9) . . ?
C1 C4 H4 125.1 . . ?
S1 C4 H4 125.1 . . ?
C2 C3 S1 108.4(9) . . ?
C2 C3 H3 125.8 . . ?
S1 C3 H3 125.8 . . ?
C3 S1 C4 95.3(5) . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         1.019
_refine_diff_density_min         -1.105
_refine_diff_density_rms         0.184

# Attachment 'Ag3.cif'

data_80109c
_database_code_depnum_ccdc_archive 'CCDC 714779'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C41 H28 Ag5 N O10 P4'
_chemical_formula_sum            'C41 H28 Ag5 N O10 P4'
_chemical_formula_weight         1357.87

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   'C2/c '
_symmetry_space_group_name_Hall  '-C 2yc'

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'
'-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                   33.325(2)
_cell_length_b                   13.821(3)
_cell_length_c                   8.807(1)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.826(2)
_cell_angle_gamma                90.00
_cell_volume                     4047.3(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    1838
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      24.44

_exptl_crystal_description       block
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.228
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2624
_exptl_absorpt_coefficient_mu    2.597
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.53
_exptl_absorpt_correction_T_max  0.73
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10734
_diffrn_reflns_av_R_equivalents  0.0507
_diffrn_reflns_av_sigmaI/netI    0.0801
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.36
_diffrn_reflns_theta_max         26.00
_reflns_number_total             3951
_reflns_number_gt                2923
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0554P)^2^] where P=(Fo^2^+2Fc^2^)/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         3951
_refine_ls_number_parameters     276
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0883
_refine_ls_R_factor_gt           0.0532
_refine_ls_wR_factor_ref         0.1146
_refine_ls_wR_factor_gt          0.1065
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.063
_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 0.009374(16) 0.11422(4) 0.04705(7) 0.03341(16) Uani 1 1 d . . .
Ag3 Ag 0.0000 0.45687(6) 0.2500 0.0337(2) Uani 1 2 d S . .
C1 C 0.1200(2) 0.2219(6) 0.3220(8) 0.0348(16) Uani 1 1 d . . .
C2 C 0.1463(3) 0.2853(6) 0.2579(9) 0.045(2) Uani 1 1 d . . .
H2 H 0.1362 0.3334 0.1922 0.053 Uiso 1 1 calc R . .
C3 C 0.1878(3) 0.2777(6) 0.2908(11) 0.049(2) Uani 1 1 d . . .
H3 H 0.2053 0.3200 0.2465 0.059 Uiso 1 1 calc R . .
C4 C 0.2027(3) 0.2055(6) 0.3915(10) 0.047(2) Uani 1 1 d . . .
H4 H 0.2302 0.2000 0.4146 0.056 Uiso 1 1 calc R . .
C5 C 0.1348(2) 0.1483(6) 0.4278(9) 0.0372(17) Uani 1 1 d . . .
C6 C 0.1764(2) 0.1421(6) 0.4566(10) 0.0405(19) Uani 1 1 d . . .
C7 C 0.1920(3) 0.0731(6) 0.5559(10) 0.045(2) Uani 1 1 d . . .
H7 H 0.2197 0.0696 0.5770 0.054 Uiso 1 1 calc R . .
C8 C 0.1672(3) 0.0088(7) 0.6250(11) 0.051(2) Uani 1 1 d . . .
H8 H 0.1784 -0.0380 0.6909 0.062 Uiso 1 1 calc R . .
C9 C 0.1259(2) 0.0135(7) 0.5967(10) 0.047(2) Uani 1 1 d . . .
H9 H 0.1091 -0.0293 0.6437 0.057 Uiso 1 1 calc R . .
C10 C 0.1097(3) 0.0837(6) 0.4964(9) 0.0420(18) Uani 1 1 d . . .
H10 H 0.0821 0.0872 0.4754 0.050 Uiso 1 1 calc R . .
C11 C 0.1124(2) 0.3955(6) 0.5896(10) 0.0423(19) Uani 1 1 d . . .
C12 C 0.1338(3) 0.4702(6) 0.5270(10) 0.0451(19) Uani 1 1 d . . .
H12 H 0.1213 0.5108 0.4541 0.054 Uiso 1 1 calc R . .
C13 C 0.1741(2) 0.4840(6) 0.5736(10) 0.047(2) Uani 1 1 d . . .
H13 H 0.1885 0.5349 0.5343 0.057 Uiso 1 1 calc R . .
C14 C 0.1926(3) 0.4216(7) 0.6787(10) 0.045(2) Uani 1 1 d . . .
H14 H 0.2196 0.4299 0.7105 0.054 Uiso 1 1 calc R . .
C15 C 0.1303(3) 0.3338(6) 0.6933(11) 0.045(2) Uani 1 1 d . . .
C16 C 0.1712(2) 0.3483(6) 0.7351(9) 0.0415(19) Uani 1 1 d . . .
C17 C 0.1912(3) 0.2864(6) 0.8396(10) 0.045(2) Uani 1 1 d . . .
H17 H 0.2182 0.2968 0.8688 0.054 Uiso 1 1 calc R . .
C18 C 0.1709(3) 0.2092(7) 0.9001(10) 0.047(2) Uani 1 1 d . . .
H18 H 0.1846 0.1661 0.9661 0.057 Uiso 1 1 calc R . .
C19 C 0.1301(2) 0.1962(6) 0.8623(10) 0.045(2) Uani 1 1 d . . .
H19 H 0.1162 0.1459 0.9057 0.055 Uiso 1 1 calc R . .
C20 C 0.1099(3) 0.2588(6) 0.7587(10) 0.0434(19) Uani 1 1 d . . .
H20 H 0.0826 0.2502 0.7335 0.052 Uiso 1 1 calc R . .
C21 C 0.0011(2) 0.0937(6) -0.1869(8) 0.0450(18) Uani 0.50 1 d P . .
N1 N 0.0011(2) 0.0937(6) -0.1869(8) 0.0450(18) Uani 0.50 1 d P . .
O1 O 0.05326(16) 0.2847(4) 0.4380(6) 0.0408(12) Uani 1 1 d . . .
O2 O 0.04568(16) 0.1505(4) 0.2518(6) 0.0400(13) Uani 1 1 d . . .
O3 O 0.06072(18) 0.3206(4) 0.1615(7) 0.0469(14) Uani 1 1 d . . .
O4 O 0.05008(17) 0.4654(4) 0.4279(7) 0.0470(14) Uani 1 1 d . . .
Ag2 Ag 0.038816(18) 0.64658(4) 0.42735(7) 0.03634(17) Uani 1 1 d . . .
O5 O 0.03283(17) 0.3752(4) 0.6592(7) 0.0412(13) Uani 1 1 d . . .
P1 P 0.06720(7) 0.24363(15) 0.2786(3) 0.0414(5) Uani 1 1 d . . .
P2 P 0.05907(7) 0.38479(16) 0.5302(3) 0.0449(5) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.0333(3) 0.0393(3) 0.0287(3) 0.0102(2) 0.0103(2) 0.0131(2)
Ag3 0.0342(4) 0.0322(4) 0.0365(5) 0.000 0.0155(3) 0.000
C1 0.039(4) 0.042(4) 0.023(4) -0.005(3) -0.001(3) 0.003(3)
C2 0.060(5) 0.037(4) 0.036(5) -0.005(4) -0.005(4) 0.000(4)
C3 0.042(5) 0.045(5) 0.062(6) -0.013(4) 0.012(4) -0.010(4)
C4 0.041(4) 0.046(5) 0.051(5) -0.020(4) -0.011(4) 0.003(4)
C5 0.043(4) 0.038(4) 0.029(4) -0.007(3) -0.007(3) 0.006(3)
C6 0.042(4) 0.039(4) 0.040(5) -0.013(3) -0.002(3) 0.010(3)
C7 0.046(5) 0.048(5) 0.041(5) -0.010(4) -0.011(4) 0.013(4)
C8 0.051(5) 0.044(5) 0.058(6) 0.007(4) -0.005(4) 0.024(4)
C9 0.045(5) 0.063(6) 0.034(5) 0.005(4) 0.006(3) -0.004(4)
C10 0.048(4) 0.044(4) 0.034(5) -0.011(4) 0.005(3) 0.005(4)
C11 0.044(5) 0.041(4) 0.043(5) -0.005(4) 0.013(4) -0.001(4)
C12 0.044(4) 0.053(5) 0.039(5) -0.005(4) 0.015(4) -0.008(4)
C13 0.048(5) 0.045(5) 0.052(6) -0.010(4) 0.021(4) -0.010(4)
C14 0.041(4) 0.054(5) 0.041(5) -0.018(4) 0.007(4) 0.007(4)
C15 0.046(5) 0.040(4) 0.049(5) -0.006(4) 0.015(4) 0.008(4)
C16 0.045(5) 0.047(5) 0.032(5) -0.011(4) -0.005(3) 0.011(4)
C17 0.047(5) 0.042(5) 0.045(5) -0.018(4) -0.005(4) 0.009(4)
C18 0.047(5) 0.060(6) 0.035(5) 0.000(4) 0.005(4) 0.009(4)
C19 0.045(5) 0.042(4) 0.050(5) -0.003(4) 0.007(4) 0.012(4)
C20 0.045(5) 0.041(4) 0.044(5) -0.003(4) 0.004(4) 0.005(4)
C21 0.043(4) 0.054(5) 0.038(4) 0.000(3) -0.002(4) 0.003(3)
N1 0.043(4) 0.054(5) 0.038(4) 0.000(3) -0.002(4) 0.003(3)
O1 0.044(3) 0.042(3) 0.035(3) 0.003(2) -0.004(2) 0.003(3)
O2 0.042(3) 0.039(3) 0.039(3) -0.007(2) 0.005(2) 0.006(2)
O3 0.052(3) 0.049(3) 0.039(3) 0.011(3) 0.000(3) 0.011(3)
O4 0.051(3) 0.040(3) 0.049(4) -0.012(3) -0.001(3) 0.016(3)
Ag2 0.0402(3) 0.0331(3) 0.0342(3) -0.0114(2) -0.0086(2) -0.0067(2)
O5 0.042(3) 0.039(3) 0.038(3) -0.011(2) -0.009(2) -0.007(2)
P1 0.0476(12) 0.0370(11) 0.0392(12) 0.0039(9) 0.0004(9) 0.0059(9)
P2 0.0472(12) 0.0418(12) 0.0458(14) -0.0119(10) 0.0045(10) 0.0168(10)

_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 C21 2.080(7) . ?
Ag1 O2 2.163(6) . ?
Ag1 Ag1 3.3131(13) 5 ?
Ag3 O4 2.215(6) 2 ?
Ag3 O4 2.215(6) . ?
Ag3 Ag2 3.2738(9) . ?
Ag3 Ag2 3.2738(9) 2 ?
C1 C2 1.387(12) . ?
C1 C5 1.443(11) . ?
C1 P1 1.801(8) . ?
C2 C3 1.397(12) . ?
C2 H2 0.9300 . ?
C3 C4 1.404(13) . ?
C3 H3 0.9300 . ?
C4 C6 1.389(13) . ?
C4 H4 0.9300 . ?
C5 C10 1.389(12) . ?
C5 C6 1.395(11) . ?
C6 C7 1.372(12) . ?
C7 C8 1.382(13) . ?
C7 H7 0.9300 . ?
C8 C9 1.386(12) . ?
C8 H8 0.9300 . ?
C9 C10 1.395(12) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C15 1.359(13) . ?
C11 C12 1.390(11) . ?
C11 P2 1.824(9) . ?
C12 C13 1.392(12) . ?
C12 H12 0.9300 . ?
C13 C14 1.380(13) . ?
C13 H13 0.9300 . ?
C14 C16 1.354(13) . ?
C14 H14 0.9300 . ?
C15 C20 1.385(12) . ?
C15 C16 1.401(12) . ?
C16 C17 1.394(12) . ?
C17 C18 1.389(13) . ?
C17 H17 0.9300 . ?
C18 C19 1.389(12) . ?
C18 H18 0.9300 . ?
C19 C20 1.397(12) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 N1 1.109(15) 2_554 ?
C21 C21 1.109(15) 2_554 ?
O1 P2 1.608(6) . ?
O1 P1 1.612(6) . ?
O2 P1 1.484(6) . ?
O3 P1 1.488(6) . ?
O3 Ag2 2.189(6) 6_565 ?
O4 P2 1.451(6) . ?
O4 Ag2 2.532(6) . ?
Ag2 O3 2.189(6) 6_566 ?
Ag2 O5 2.376(6) 6_565 ?
Ag2 O5 2.476(5) 5_566 ?
O5 P2 1.485(7) . ?
O5 Ag2 2.376(6) 6_566 ?
O5 Ag2 2.476(5) 5_566 ?

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
C21 Ag1 O2 152.6(3) . . ?
C21 Ag1 Ag1 67.2(2) . 5 ?
O2 Ag1 Ag1 121.03(15) . 5 ?
O4 Ag3 O4 173.9(3) 2 . ?
O4 Ag3 Ag2 123.38(15) 2 . ?
O4 Ag3 Ag2 50.57(14) . . ?
O4 Ag3 Ag2 50.57(14) 2 2 ?
O4 Ag3 Ag2 123.38(15) . 2 ?
Ag2 Ag3 Ag2 73.57(3) . 2 ?
C2 C1 C5 120.6(7) . . ?
C2 C1 P1 116.3(6) . . ?
C5 C1 P1 122.8(6) . . ?
C1 C2 C3 120.8(8) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 H2 119.6 . . ?
C2 C3 C4 119.2(8) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C6 C4 C3 120.2(8) . . ?
C6 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C10 C5 C6 120.0(8) . . ?
C10 C5 C1 122.9(7) . . ?
C6 C5 C1 117.0(8) . . ?
C7 C6 C4 118.6(8) . . ?
C7 C6 C5 119.2(8) . . ?
C4 C6 C5 122.2(8) . . ?
C6 C7 C8 121.1(8) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
C7 C8 C9 120.4(8) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C8 C9 C10 118.9(8) . . ?
C8 C9 H9 120.5 . . ?
C10 C9 H9 120.5 . . ?
C5 C10 C9 120.3(8) . . ?
C5 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C15 C11 C12 121.2(8) . . ?
C15 C11 P2 121.2(6) . . ?
C12 C11 P2 117.6(7) . . ?
C11 C12 C13 119.8(9) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C14 C13 C12 119.4(8) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C16 C14 C13 119.4(8) . . ?
C16 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C11 C15 C20 122.9(8) . . ?
C11 C15 C16 117.6(8) . . ?
C20 C15 C16 119.6(8) . . ?
C14 C16 C17 117.5(8) . . ?
C14 C16 C15 122.6(8) . . ?
C17 C16 C15 119.9(9) . . ?
C18 C17 C16 120.1(8) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C19 120.1(8) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C20 119.8(9) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C15 C20 C19 120.5(8) . . ?
C15 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
N1 C21 Ag1 171.3(5) 2_554 . ?
C21 C21 Ag1 171.3(5) 2_554 . ?
P2 O1 P1 135.3(4) . . ?
P1 O2 Ag1 124.8(3) . . ?
P1 O3 Ag2 145.6(4) . 6_565 ?
P2 O4 Ag3 120.9(4) . . ?
P2 O4 Ag2 141.7(3) . . ?
Ag3 O4 Ag2 86.93(19) . . ?
O3 Ag2 O5 164.4(2) 6_566 6_565 ?
O3 Ag2 O5 124.7(2) 6_566 5_566 ?
O5 Ag2 O5 70.3(2) 6_565 5_566 ?
O3 Ag2 O4 99.4(2) 6_566 . ?
O5 Ag2 O4 83.08(18) 6_565 . ?
O5 Ag2 O4 91.17(18) 5_566 . ?
O3 Ag2 Ag3 135.38(16) 6_566 . ?
O5 Ag2 Ag3 54.56(13) 6_565 . ?
O5 Ag2 Ag3 54.10(12) 5_566 . ?
O4 Ag2 Ag3 42.50(13) . . ?
P2 O5 Ag2 139.2(3) . 6_566 ?
P2 O5 Ag2 112.3(3) . 5_566 ?
Ag2 O5 Ag2 107.8(2) 6_566 5_566 ?
O2 P1 O3 117.6(3) . . ?
O2 P1 O1 106.2(3) . . ?
O3 P1 O1 108.3(3) . . ?
O2 P1 C1 110.1(3) . . ?
O3 P1 C1 111.2(4) . . ?
O1 P1 C1 102.0(3) . . ?
O4 P2 O5 115.8(3) . . ?
O4 P2 O1 109.5(3) . . ?
O5 P2 O1 104.6(3) . . ?
O4 P2 C11 105.8(4) . . ?
O5 P2 C11 113.6(4) . . ?
O1 P2 C11 107.3(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 C1 C2 C3 1.8(12) . . . . ?
P1 C1 C2 C3 176.7(6) . . . . ?
C1 C2 C3 C4 -0.7(13) . . . . ?
C2 C3 C4 C6 0.4(12) . . . . ?
C2 C1 C5 C10 179.3(7) . . . . ?
P1 C1 C5 C10 4.8(11) . . . . ?
C2 C1 C5 C6 -2.5(11) . . . . ?
P1 C1 C5 C6 -177.0(6) . . . . ?
C3 C4 C6 C7 -179.3(8) . . . . ?
C3 C4 C6 C5 -1.1(12) . . . . ?
C10 C5 C6 C7 -1.5(12) . . . . ?
C1 C5 C6 C7 -179.7(7) . . . . ?
C10 C5 C6 C4 -179.6(7) . . . . ?
C1 C5 C6 C4 2.2(11) . . . . ?
C4 C6 C7 C8 179.5(8) . . . . ?
C5 C6 C7 C8 1.3(12) . . . . ?
C6 C7 C8 C9 -0.8(13) . . . . ?
C7 C8 C9 C10 0.6(13) . . . . ?
C6 C5 C10 C9 1.2(12) . . . . ?
C1 C5 C10 C9 179.4(8) . . . . ?
C8 C9 C10 C5 -0.8(13) . . . . ?
C15 C11 C12 C13 -1.7(12) . . . . ?
P2 C11 C12 C13 177.2(6) . . . . ?
C11 C12 C13 C14 1.7(12) . . . . ?
C12 C13 C14 C16 -0.3(12) . . . . ?
C12 C11 C15 C20 179.7(8) . . . . ?
P2 C11 C15 C20 0.8(12) . . . . ?
C12 C11 C15 C16 0.2(12) . . . . ?
P2 C11 C15 C16 -178.7(6) . . . . ?
C13 C14 C16 C17 179.3(8) . . . . ?
C13 C14 C16 C15 -1.3(12) . . . . ?
C11 C15 C16 C14 1.3(12) . . . . ?
C20 C15 C16 C14 -178.2(8) . . . . ?
C11 C15 C16 C17 -179.2(8) . . . . ?
C20 C15 C16 C17 1.3(12) . . . . ?
C14 C16 C17 C18 -179.3(8) . . . . ?
C15 C16 C17 C18 1.2(12) . . . . ?
C16 C17 C18 C19 -3.1(12) . . . . ?
C17 C18 C19 C20 2.4(13) . . . . ?
C11 C15 C20 C19 178.6(8) . . . . ?
C16 C15 C20 C19 -1.9(12) . . . . ?
C18 C19 C20 C15 0.1(13) . . . . ?
C21 Ag1 O2 P1 57.9(7) . . . . ?
Ag1 Ag1 O2 P1 158.1(3) 5 . . . ?
Ag2 Ag3 O4 P2 152.1(5) . . . . ?
Ag2 Ag3 O4 P2 163.5(3) 2 . . . ?
Ag2 Ag3 O4 Ag2 11.4(2) 2 . . . ?
P2 O4 Ag2 O3 13.0(6) . . . 6_566 ?
Ag3 O4 Ag2 O3 152.6(2) . . . 6_566 ?
P2 O4 Ag2 O5 177.5(6) . . . 6_565 ?
Ag3 O4 Ag2 O5 -42.9(2) . . . 6_565 ?
P2 O4 Ag2 O5 -112.5(6) . . . 5_566 ?
Ag3 O4 Ag2 O5 27.1(2) . . . 5_566 ?
P2 O4 Ag2 Ag3 -139.6(7) . . . . ?
O4 Ag3 Ag2 O3 140.4(3) 2 . . 6_566 ?
O4 Ag3 Ag2 O3 -40.3(3) . . . 6_566 ?
Ag2 Ag3 Ag2 O3 149.6(2) 2 . . 6_566 ?
O4 Ag3 Ag2 O5 -55.3(2) 2 . . 6_565 ?
O4 Ag3 Ag2 O5 123.9(3) . . . 6_565 ?
Ag2 Ag3 Ag2 O5 -46.16(16) 2 . . 6_565 ?
O4 Ag3 Ag2 O5 34.9(3) 2 . . 5_566 ?
O4 Ag3 Ag2 O5 -145.8(3) . . . 5_566 ?
Ag2 Ag3 Ag2 O5 44.12(17) 2 . . 5_566 ?
O4 Ag3 Ag2 O4 -179.2(3) 2 . . . ?
Ag2 Ag3 Ag2 O4 -170.1(2) 2 . . . ?
Ag1 O2 P1 O3 5.2(5) . . . . ?
Ag1 O2 P1 O1 126.7(4) . . . . ?
Ag1 O2 P1 C1 -123.6(4) . . . . ?
Ag2 O3 P1 O2 -16.4(8) 6_565 . . . ?
Ag2 O3 P1 O1 -136.8(6) 6_565 . . . ?
Ag2 O3 P1 C1 111.9(7) 6_565 . . . ?
P2 O1 P1 O2 -171.1(5) . . . . ?
P2 O1 P1 O3 -43.8(6) . . . . ?
P2 O1 P1 C1 73.6(6) . . . . ?
C2 C1 P1 O2 139.8(6) . . . . ?
C5 C1 P1 O2 -45.5(7) . . . . ?
C2 C1 P1 O3 7.6(7) . . . . ?
C5 C1 P1 O3 -177.7(6) . . . . ?
C2 C1 P1 O1 -107.7(6) . . . . ?
C5 C1 P1 O1 67.0(7) . . . . ?
Ag3 O4 P2 O5 -79.4(4) . . . . ?
Ag2 O4 P2 O5 51.6(7) . . . . ?
Ag3 O4 P2 O1 38.5(5) . . . . ?
Ag2 O4 P2 O1 169.5(5) . . . . ?
Ag3 O4 P2 C11 153.8(4) . . . . ?
Ag2 O4 P2 C11 -75.2(6) . . . . ?
Ag2 O5 P2 O4 -130.8(5) 6_566 . . . ?
Ag2 O5 P2 O4 59.8(4) 5_566 . . . ?
Ag2 O5 P2 O1 108.6(5) 6_566 . . . ?
Ag2 O5 P2 O1 -60.8(3) 5_566 . . . ?
Ag2 O5 P2 C11 -8.0(6) 6_566 . . . ?
Ag2 O5 P2 C11 -177.4(3) 5_566 . . . ?
P1 O1 P2 O4 47.6(6) . . . . ?
P1 O1 P2 O5 172.3(5) . . . . ?
P1 O1 P2 C11 -66.8(6) . . . . ?
C15 C11 P2 O4 176.4(7) . . . . ?
C12 C11 P2 O4 -2.5(7) . . . . ?
C15 C11 P2 O5 48.2(8) . . . . ?
C12 C11 P2 O5 -130.7(6) . . . . ?
C15 C11 P2 O1 -66.8(8) . . . . ?
C12 C11 P2 O1 114.3(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.960
_refine_diff_density_min         -0.901
_refine_diff_density_rms         0.156