# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2010

data_global

_journal_coden_Cambridge         2222

loop_
_publ_author_name
'Paul-Alain Jaffres'
'Aurore Fraix'
'Robertus J M Klein Gebbink'
'Martin Lutz'
'Jean-Yves Salaun'
'A Spek'
'G van Koten'

_publ_contact_author_name        'Paul-Alain Jaffres'
_publ_contact_author_email       PJAFFRES@UNIV-BREST.FR

_publ_section_title              
;
Construction of a monoanionic S,N,S-Pincer ligand with a
pyrrole core by sequential [1,2] phospho-Fries rearrangement.
Characterization of palladium and silver coordination complexes.
;

# Attachment 'deposit-compound_5_and_6.cif'

data_s3339a
_database_code_depnum_ccdc_archive 'CCDC 753411'
#TrackingRef 'deposit-compound_5_and_6.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C12 H22 Cl N O4 P2 Pd S2'
_chemical_formula_sum            'C12 H22 Cl N O4 P2 Pd S2'
_chemical_formula_weight         512.22

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'
Cl Cl 0.1484 0.1585 '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'
Pd Pd -0.9988 1.0072 '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           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   13.0958(2)
_cell_length_b                   8.4867(1)
_cell_length_c                   18.4319(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.4162(8)
_cell_angle_gamma                90.00
_cell_volume                     2014.76(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    72203
_cell_measurement_theta_min      1.02
_cell_measurement_theta_max      27.48

_exptl_crystal_description       needle
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1032
_exptl_absorpt_coefficient_mu    1.434
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.70
_exptl_absorpt_correction_T_max  0.92
_exptl_absorpt_process_details   Sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            30682
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.65
_diffrn_reflns_theta_max         27.51
_reflns_number_total             4599
_reflns_number_gt                3837
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'Nonius COLLECT'
_computing_cell_refinement       HKL2000
_computing_data_reduction        'HKL2000, denzox, Sadabs'
_computing_structure_solution    'DIRDIF-99 (Beurskens et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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^)+(0.0315P)^2^+1.4502P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4599
_refine_ls_number_parameters     220
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0274
_refine_ls_wR_factor_ref         0.0664
_refine_ls_wR_factor_gt          0.0622
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.044
_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
Pd1 Pd 0.227056(13) 0.12453(2) 0.274045(9) 0.02141(6) Uani 1 1 d . . .
Cl1 Cl 0.22250(5) 0.05162(8) 0.15355(3) 0.03444(15) Uani 1 1 d . . .
S1 S 0.37719(5) 0.27138(8) 0.27143(4) 0.02992(14) Uani 1 1 d . . .
S2 S 0.07643(5) -0.01896(8) 0.27748(4) 0.03158(15) Uani 1 1 d . . .
P1 P 0.39487(5) 0.36638(7) 0.37199(4) 0.02350(14) Uani 1 1 d . . .
P2 P 0.07702(5) -0.00968(7) 0.38600(3) 0.02198(13) Uani 1 1 d . . .
O1 O 0.50899(13) 0.35333(19) 0.41579(10) 0.0299(4) Uani 1 1 d . . .
O2 O 0.37662(13) 0.54876(19) 0.37287(10) 0.0291(4) Uani 1 1 d . . .
O3 O 0.10213(13) -0.16849(19) 0.42804(10) 0.0291(4) Uani 1 1 d . . .
O4 O -0.03269(12) 0.03147(19) 0.40381(9) 0.0270(4) Uani 1 1 d . . .
N1 N 0.23470(14) 0.1821(2) 0.37924(10) 0.0208(4) Uani 1 1 d . . .
C1 C 0.30656(17) 0.2779(3) 0.42020(13) 0.0227(5) Uani 1 1 d . . .
C2 C 0.29131(19) 0.2808(3) 0.49315(14) 0.0259(5) Uani 1 1 d . . .
H2 H 0.326(2) 0.336(3) 0.5305(16) 0.035(8) Uiso 1 1 d . . .
C3 C 0.20730(19) 0.1828(3) 0.49686(13) 0.0246(5) Uani 1 1 d . . .
H3 H 0.179(2) 0.160(3) 0.5377(15) 0.027(7) Uiso 1 1 d . . .
C4 C 0.17380(17) 0.1234(2) 0.42601(12) 0.0208(5) Uani 1 1 d . . .
C5 C 0.5633(2) 0.2026(3) 0.42560(17) 0.0407(7) Uani 1 1 d . . .
H5A H 0.5638 0.1529 0.3771 0.049 Uiso 1 1 calc R . .
H5B H 0.5279 0.1305 0.4553 0.049 Uiso 1 1 calc R . .
C6 C 0.6717(2) 0.2334(3) 0.46421(17) 0.0409(7) Uani 1 1 d . . .
H6A H 0.7071 0.3004 0.4332 0.061 Uiso 1 1 calc R . .
H6B H 0.7090 0.1332 0.4736 0.061 Uiso 1 1 calc R . .
H6C H 0.6702 0.2867 0.5112 0.061 Uiso 1 1 calc R . .
C7 C 0.4372(2) 0.6522(3) 0.33264(17) 0.0362(6) Uani 1 1 d . . .
H7A H 0.5124 0.6338 0.3496 0.043 Uiso 1 1 calc R . .
H7B H 0.4203 0.6296 0.2791 0.043 Uiso 1 1 calc R . .
C8 C 0.4112(3) 0.8167(3) 0.3467(2) 0.0612(10) Uani 1 1 d . . .
H8A H 0.3357 0.8299 0.3366 0.092 Uiso 1 1 calc R . .
H8B H 0.4425 0.8867 0.3145 0.092 Uiso 1 1 calc R . .
H8C H 0.4382 0.8430 0.3984 0.092 Uiso 1 1 calc R . .
C9 C 0.0344(2) -0.3062(3) 0.40732(18) 0.0452(8) Uani 1 1 d . . .
H9A H -0.0247 -0.3032 0.4340 0.054 Uiso 1 1 calc R . .
H9B H 0.0065 -0.3038 0.3537 0.054 Uiso 1 1 calc R . .
C10 C 0.0939(3) -0.4489(3) 0.4259(2) 0.0722(12) Uani 1 1 d . . .
H10A H 0.1490 -0.4552 0.3964 0.108 Uiso 1 1 calc R . .
H10B H 0.0480 -0.5405 0.4154 0.108 Uiso 1 1 calc R . .
H10C H 0.1249 -0.4476 0.4784 0.108 Uiso 1 1 calc R . .
C11 C -0.09368(19) 0.1646(3) 0.36814(15) 0.0313(6) Uani 1 1 d . . .
H11A H -0.0500 0.2301 0.3414 0.038 Uiso 1 1 calc R . .
H11B H -0.1174 0.2312 0.4060 0.038 Uiso 1 1 calc R . .
C12 C -0.1856(2) 0.1040(4) 0.31522(17) 0.0444(7) Uani 1 1 d . . .
H12A H -0.1618 0.0470 0.2751 0.067 Uiso 1 1 calc R . .
H12B H -0.2295 0.1926 0.2948 0.067 Uiso 1 1 calc R . .
H12C H -0.2256 0.0325 0.3411 0.067 Uiso 1 1 calc R . .

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
Pd1 0.02445(10) 0.02054(10) 0.02010(10) -0.00013(7) 0.00630(7) 0.00170(7)
Cl1 0.0439(4) 0.0387(3) 0.0223(3) -0.0034(3) 0.0105(3) -0.0002(3)
S1 0.0306(3) 0.0327(3) 0.0295(3) -0.0021(3) 0.0137(3) -0.0038(3)
S2 0.0322(3) 0.0380(4) 0.0250(3) -0.0067(3) 0.0064(3) -0.0099(3)
P1 0.0221(3) 0.0198(3) 0.0297(3) 0.0002(2) 0.0077(3) 0.0001(2)
P2 0.0227(3) 0.0188(3) 0.0245(3) 0.0018(2) 0.0046(2) -0.0007(2)
O1 0.0246(9) 0.0238(9) 0.0401(11) -0.0010(7) 0.0031(8) 0.0008(7)
O2 0.0284(9) 0.0199(8) 0.0418(11) 0.0022(7) 0.0137(8) -0.0008(7)
O3 0.0289(9) 0.0183(8) 0.0372(10) 0.0050(7) -0.0021(8) -0.0034(7)
O4 0.0241(8) 0.0268(9) 0.0305(9) 0.0059(7) 0.0063(7) 0.0012(7)
N1 0.0236(10) 0.0199(9) 0.0189(10) -0.0011(8) 0.0035(8) -0.0002(8)
C1 0.0236(12) 0.0181(10) 0.0266(13) -0.0008(9) 0.0052(10) -0.0001(9)
C2 0.0303(13) 0.0226(12) 0.0242(13) -0.0039(10) 0.0032(10) -0.0007(10)
C3 0.0316(13) 0.0231(11) 0.0200(12) 0.0011(9) 0.0075(10) 0.0017(10)
C4 0.0235(11) 0.0166(10) 0.0231(12) 0.0011(9) 0.0062(9) -0.0004(9)
C5 0.0386(16) 0.0265(14) 0.0536(19) 0.0022(13) -0.0007(14) 0.0064(12)
C6 0.0322(15) 0.0410(16) 0.0494(18) 0.0062(14) 0.0070(13) 0.0083(12)
C7 0.0347(15) 0.0270(13) 0.0501(18) 0.0084(12) 0.0163(13) -0.0040(11)
C8 0.094(3) 0.0245(14) 0.078(3) 0.0088(15) 0.050(2) 0.0007(16)
C9 0.0430(17) 0.0258(14) 0.061(2) 0.0073(13) -0.0069(15) -0.0124(12)
C10 0.069(2) 0.0232(15) 0.111(3) -0.0054(18) -0.020(2) -0.0010(16)
C11 0.0282(13) 0.0238(12) 0.0403(16) 0.0014(11) 0.0020(11) 0.0049(10)
C12 0.0305(15) 0.0474(17) 0.0506(19) 0.0007(14) -0.0049(13) 0.0021(13)

_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
Pd1 N1 1.9845(19) . ?
Pd1 Cl1 2.2958(6) . ?
Pd1 S2 2.3288(6) . ?
Pd1 S1 2.3357(6) . ?
S1 P1 1.9959(9) . ?
S2 P2 2.0004(9) . ?
P1 O2 1.5667(17) . ?
P1 O1 1.5689(18) . ?
P1 C1 1.750(2) . ?
P2 O3 1.5598(17) . ?
P2 O4 1.5698(17) . ?
P2 C4 1.757(2) . ?
O1 C5 1.458(3) . ?
O2 C7 1.471(3) . ?
O3 C9 1.475(3) . ?
O4 C11 1.469(3) . ?
N1 C1 1.364(3) . ?
N1 C4 1.369(3) . ?
C1 C2 1.395(3) . ?
C2 C3 1.391(3) . ?
C2 H2 0.89(3) . ?
C3 C4 1.394(3) . ?
C3 H3 0.92(3) . ?
C5 C6 1.492(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.471(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.447(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.497(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?

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 Pd1 Cl1 178.05(6) . . ?
N1 Pd1 S2 89.74(6) . . ?
Cl1 Pd1 S2 90.65(2) . . ?
N1 Pd1 S1 89.71(6) . . ?
Cl1 Pd1 S1 89.92(2) . . ?
S2 Pd1 S1 179.19(2) . . ?
P1 S1 Pd1 98.81(3) . . ?
P2 S2 Pd1 99.00(3) . . ?
O2 P1 O1 101.38(9) . . ?
O2 P1 C1 107.61(10) . . ?
O1 P1 C1 111.34(11) . . ?
O2 P1 S1 114.61(8) . . ?
O1 P1 S1 112.90(8) . . ?
C1 P1 S1 108.78(8) . . ?
O3 P2 O4 101.95(9) . . ?
O3 P2 C4 106.01(10) . . ?
O4 P2 C4 112.77(10) . . ?
O3 P2 S2 115.16(8) . . ?
O4 P2 S2 112.31(7) . . ?
C4 P2 S2 108.48(8) . . ?
C5 O1 P1 121.55(15) . . ?
C7 O2 P1 119.15(15) . . ?
C9 O3 P2 119.55(15) . . ?
C11 O4 P2 121.44(15) . . ?
C1 N1 C4 106.88(19) . . ?
C1 N1 Pd1 126.55(16) . . ?
C4 N1 Pd1 126.40(15) . . ?
N1 C1 C2 109.9(2) . . ?
N1 C1 P1 115.34(17) . . ?
C2 C1 P1 134.81(19) . . ?
C3 C2 C1 106.8(2) . . ?
C3 C2 H2 125.3(19) . . ?
C1 C2 H2 127.8(19) . . ?
C2 C3 C4 106.7(2) . . ?
C2 C3 H3 127.4(16) . . ?
C4 C3 H3 125.9(16) . . ?
N1 C4 C3 109.7(2) . . ?
N1 C4 P2 115.30(16) . . ?
C3 C4 P2 134.91(18) . . ?
O1 C5 C6 107.8(2) . . ?
O1 C5 H5A 110.1 . . ?
C6 C5 H5A 110.1 . . ?
O1 C5 H5B 110.1 . . ?
C6 C5 H5B 110.1 . . ?
H5A C5 H5B 108.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 O2 108.3(2) . . ?
C8 C7 H7A 110.0 . . ?
O2 C7 H7A 110.0 . . ?
C8 C7 H7B 110.0 . . ?
O2 C7 H7B 110.0 . . ?
H7A C7 H7B 108.4 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 O3 109.2(2) . . ?
C10 C9 H9A 109.8 . . ?
O3 C9 H9A 109.8 . . ?
C10 C9 H9B 109.8 . . ?
O3 C9 H9B 109.8 . . ?
H9A C9 H9B 108.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O4 C11 C12 109.6(2) . . ?
O4 C11 H11A 109.8 . . ?
C12 C11 H11A 109.8 . . ?
O4 C11 H11B 109.8 . . ?
C12 C11 H11B 109.8 . . ?
H11A C11 H11B 108.2 . . ?
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 . . ?

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 Pd1 S1 P1 -5.95(6) . . . . ?
Cl1 Pd1 S1 P1 175.96(3) . . . . ?
N1 Pd1 S2 P2 -8.67(6) . . . . ?
Cl1 Pd1 S2 P2 169.42(3) . . . . ?
Pd1 S1 P1 O2 -111.73(7) . . . . ?
Pd1 S1 P1 O1 132.86(7) . . . . ?
Pd1 S1 P1 C1 8.75(9) . . . . ?
Pd1 S2 P2 O3 -109.29(8) . . . . ?
Pd1 S2 P2 O4 134.61(7) . . . . ?
Pd1 S2 P2 C4 9.28(8) . . . . ?
O2 P1 O1 C5 -176.3(2) . . . . ?
C1 P1 O1 C5 69.5(2) . . . . ?
S1 P1 O1 C5 -53.2(2) . . . . ?
O1 P1 O2 C7 66.2(2) . . . . ?
C1 P1 O2 C7 -176.83(19) . . . . ?
S1 P1 O2 C7 -55.7(2) . . . . ?
O4 P2 O3 C9 61.8(2) . . . . ?
C4 P2 O3 C9 -180.0(2) . . . . ?
S2 P2 O3 C9 -60.0(2) . . . . ?
O3 P2 O4 C11 -172.71(17) . . . . ?
C4 P2 O4 C11 74.1(2) . . . . ?
S2 P2 O4 C11 -48.90(18) . . . . ?
S2 Pd1 N1 C1 -177.44(18) . . . . ?
S1 Pd1 N1 C1 1.97(18) . . . . ?
S2 Pd1 N1 C4 8.03(18) . . . . ?
S1 Pd1 N1 C4 -172.55(18) . . . . ?
C4 N1 C1 C2 -0.2(3) . . . . ?
Pd1 N1 C1 C2 -175.58(15) . . . . ?
C4 N1 C1 P1 179.53(15) . . . . ?
Pd1 N1 C1 P1 4.1(3) . . . . ?
O2 P1 C1 N1 115.74(17) . . . . ?
O1 P1 C1 N1 -134.00(16) . . . . ?
S1 P1 C1 N1 -8.96(19) . . . . ?
O2 P1 C1 C2 -64.6(3) . . . . ?
O1 P1 C1 C2 45.6(3) . . . . ?
S1 P1 C1 C2 170.7(2) . . . . ?
N1 C1 C2 C3 0.2(3) . . . . ?
P1 C1 C2 C3 -179.4(2) . . . . ?
C1 C2 C3 C4 -0.2(3) . . . . ?
C1 N1 C4 C3 0.1(3) . . . . ?
Pd1 N1 C4 C3 175.49(15) . . . . ?
C1 N1 C4 P2 -178.04(15) . . . . ?
Pd1 N1 C4 P2 -2.6(2) . . . . ?
C2 C3 C4 N1 0.0(3) . . . . ?
C2 C3 C4 P2 177.6(2) . . . . ?
O3 P2 C4 N1 118.48(17) . . . . ?
O4 P2 C4 N1 -130.79(16) . . . . ?
S2 P2 C4 N1 -5.73(18) . . . . ?
O3 P2 C4 C3 -59.0(3) . . . . ?
O4 P2 C4 C3 51.7(3) . . . . ?
S2 P2 C4 C3 176.8(2) . . . . ?
P1 O1 C5 C6 175.67(19) . . . . ?
P1 O2 C7 C8 -175.9(2) . . . . ?
P2 O3 C9 C10 153.4(3) . . . . ?
P2 O4 C11 C12 109.7(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.658
_refine_diff_density_min         -0.488
_refine_diff_density_rms         0.079

#===END

data_s3395a
_database_code_depnum_ccdc_archive 'CCDC 753412'
#TrackingRef 'deposit-compound_5_and_6.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H88 Ag4 N4 O16 P8 S8'
_chemical_formula_sum            'C48 H88 Ag4 N4 O16 P8 S8'
_chemical_formula_weight         1912.94

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'
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                   11.1886(4)
_cell_length_b                   12.7764(6)
_cell_length_c                   14.3823(7)
_cell_angle_alpha                78.720(2)
_cell_angle_beta                 81.848(2)
_cell_angle_gamma                72.571(2)
_cell_volume                     1916.05(14)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    156
_cell_measurement_theta_min      3.29
_cell_measurement_theta_max      21.98

_exptl_crystal_description       needle
_exptl_crystal_colour            brownish
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             968
_exptl_absorpt_coefficient_mu    1.450
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.73
_exptl_absorpt_correction_T_max  0.92
_exptl_absorpt_process_details   Sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            44314
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_sigmaI/netI    0.0239
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.92
_diffrn_reflns_theta_max         27.50
_reflns_number_total             8800
_reflns_number_gt                7284
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'Nonius COLLECT'
_computing_cell_refinement       Dirax
_computing_data_reduction        'EvalCCD, Sadabs'
_computing_structure_solution    'DIRDIF-99 (Beurskens et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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^)+(0.0252P)^2^+1.2576P] 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         8800
_refine_ls_number_parameters     433
_refine_ls_number_restraints     98
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0243
_refine_ls_wR_factor_ref         0.0568
_refine_ls_wR_factor_gt          0.0531
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.003
_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 0.013104(16) 0.276000(14) 0.285155(13) 0.02897(5) Uani 1 1 d D . .
Ag2 Ag -0.016553(16) 0.411079(14) 0.086746(12) 0.02626(5) Uani 1 1 d . . .
S11A S 0.11800(16) 0.28304(13) 0.44540(12) 0.0431(4) Uani 0.70 1 d PD A 1
S11B S 0.0920(4) 0.2411(3) 0.4652(3) 0.0458(9) Uani 0.30 1 d PD A 2
S12 S -0.01893(5) 0.21462(4) 0.08883(4) 0.02522(12) Uani 1 1 d . . .
P11 P 0.25703(6) 0.14779(6) 0.43058(4) 0.03291(14) Uani 1 1 d D . .
P12 P 0.15805(5) 0.12662(4) 0.07628(4) 0.02073(11) Uani 1 1 d . A .
O11 O 0.38496(16) 0.15947(15) 0.45371(11) 0.0381(4) Uani 1 1 d D A .
O12 O 0.2520(2) 0.0363(2) 0.49851(15) 0.0663(6) Uani 1 1 d D A .
O13 O 0.23932(14) 0.16367(13) -0.01523(10) 0.0272(3) Uani 1 1 d D . .
O14 O 0.16650(14) 0.00333(12) 0.06426(11) 0.0279(3) Uani 1 1 d D . .
N11 N 0.19516(16) 0.15500(14) 0.25314(12) 0.0223(4) Uani 1 1 d . A .
C11 C 0.2896(2) 0.12127(17) 0.31265(15) 0.0246(5) Uani 1 1 d . A .
C12 C 0.4019(2) 0.06341(19) 0.26729(17) 0.0303(5) Uani 1 1 d . . .
H12 H 0.4806 0.0316 0.2936 0.036 Uiso 1 1 calc R A .
C13 C 0.3760(2) 0.06155(19) 0.17595(17) 0.0300(5) Uani 1 1 d . A .
H13 H 0.4332 0.0284 0.1274 0.036 Uiso 1 1 calc R . .
C14 C 0.2483(2) 0.11846(17) 0.16997(15) 0.0223(4) Uani 1 1 d . . .
C15 C 0.3996(3) 0.1776(3) 0.54769(19) 0.0548(8) Uani 1 1 d D . .
H15A H 0.4072 0.1078 0.5937 0.066 Uiso 1 1 calc R A .
H15B H 0.3249 0.2348 0.5696 0.066 Uiso 1 1 calc R . .
C16 C 0.5137(3) 0.2147(3) 0.5426(2) 0.0626(9) Uani 1 1 d D A .
H16A H 0.5865 0.1595 0.5178 0.094 Uiso 1 1 calc R . .
H16B H 0.5270 0.2229 0.6064 0.094 Uiso 1 1 calc R . .
H16C H 0.5031 0.2863 0.5002 0.094 Uiso 1 1 calc R . .
C17A C 0.1599(7) -0.0090(9) 0.5541(6) 0.139(4) Uani 0.70 1 d PDU A 1
H17A H 0.1379 -0.0582 0.5182 0.166 Uiso 0.70 1 calc PR A 1
H17B H 0.0832 0.0522 0.5649 0.166 Uiso 0.70 1 calc PR A 1
C18A C 0.1988(6) -0.0716(5) 0.6452(4) 0.0841(19) Uani 0.70 1 d PDU A 1
H18A H 0.2771 -0.1301 0.6354 0.126 Uiso 0.70 1 calc PR A 1
H18B H 0.1331 -0.1053 0.6780 0.126 Uiso 0.70 1 calc PR A 1
H18C H 0.2125 -0.0218 0.6839 0.126 Uiso 0.70 1 calc PR A 1
C17B C 0.1283(9) 0.0178(11) 0.5080(9) 0.068(4) Uani 0.30 1 d PDU A 2
H17C H 0.1119 -0.0012 0.4484 0.082 Uiso 0.30 1 calc PR A 2
H17D H 0.0620 0.0853 0.5224 0.082 Uiso 0.30 1 calc PR A 2
C18B C 0.1299(14) -0.0764(10) 0.5879(10) 0.081(4) Uani 0.30 1 d PDU A 2
H18D H 0.2040 -0.1387 0.5773 0.121 Uiso 0.30 1 calc PR A 2
H18E H 0.0536 -0.0999 0.5910 0.121 Uiso 0.30 1 calc PR A 2
H18F H 0.1333 -0.0525 0.6479 0.121 Uiso 0.30 1 calc PR A 2
C19 C 0.1899(2) 0.1936(2) -0.10881(15) 0.0325(5) Uani 1 1 d D A .
H19A H 0.1963 0.2687 -0.1385 0.039 Uiso 1 1 calc R . .
H19B H 0.1000 0.1953 -0.1014 0.039 Uiso 1 1 calc R . .
C110 C 0.2620(3) 0.1115(2) -0.17114(19) 0.0484(7) Uani 1 1 d D . .
H11A H 0.3514 0.1080 -0.1764 0.073 Uiso 1 1 calc R A .
H11B H 0.2310 0.1343 -0.2345 0.073 Uiso 1 1 calc R . .
H11C H 0.2512 0.0381 -0.1436 0.073 Uiso 1 1 calc R . .
C111 C 0.0850(2) -0.0593(2) 0.12181(19) 0.0396(6) Uani 1 1 d D A .
H11D H 0.0984 -0.1295 0.0973 0.048 Uiso 1 1 calc R . .
H11E H -0.0038 -0.0157 0.1155 0.048 Uiso 1 1 calc R . .
C112 C 0.1085(3) -0.0858(2) 0.2247(2) 0.0543(8) Uani 1 1 d D . .
H11F H 0.1973 -0.1256 0.2311 0.081 Uiso 1 1 calc R A .
H11G H 0.0560 -0.1325 0.2594 0.081 Uiso 1 1 calc R . .
H11H H 0.0876 -0.0166 0.2510 0.081 Uiso 1 1 calc R . .
S21 S 0.21202(5) 0.44837(4) 0.00052(4) 0.02231(11) Uani 1 1 d . . .
S22 S -0.21435(5) 0.36978(5) 0.28870(4) 0.02840(13) Uani 1 1 d . A .
P21 P 0.23107(5) 0.53284(4) 0.09553(4) 0.01786(11) Uani 1 1 d . A .
P22 P -0.21422(5) 0.51979(4) 0.30306(4) 0.01989(11) Uani 1 1 d . . .
O21 O 0.25578(13) 0.64940(11) 0.05533(10) 0.0215(3) Uani 1 1 d D . .
O22 O 0.35328(13) 0.47100(11) 0.15025(10) 0.0224(3) Uani 1 1 d D . .
O23 O -0.25767(14) 0.54832(13) 0.40693(10) 0.0287(3) Uani 1 1 d D A .
O24 O -0.31437(13) 0.61408(12) 0.24408(11) 0.0242(3) Uani 1 1 d D A .
N21 N 0.00585(15) 0.51524(13) 0.19145(12) 0.0179(3) Uani 1 1 d . . .
C21 C 0.10193(18) 0.56294(16) 0.18158(14) 0.0187(4) Uani 1 1 d . A .
C22 C 0.0869(2) 0.62965(18) 0.25135(15) 0.0240(5) Uani 1 1 d . . .
H22 H 0.1417 0.6709 0.2593 0.029 Uiso 1 1 calc R A .
C23 C -0.0242(2) 0.62364(18) 0.30677(15) 0.0239(5) Uani 1 1 d . A .
H23 H -0.0607 0.6600 0.3599 0.029 Uiso 1 1 calc R . .
C24 C -0.07093(18) 0.55285(16) 0.26804(14) 0.0188(4) Uani 1 1 d . A .
C25 C 0.3541(2) 0.66065(19) -0.02129(19) 0.0379(6) Uani 1 1 d D A .
H25A H 0.3433 0.6288 -0.0760 0.045 Uiso 1 1 calc R . .
H25B H 0.4379 0.6204 0.0011 0.045 Uiso 1 1 calc R . .
C26 C 0.3436(2) 0.78237(19) -0.05076(18) 0.0342(6) Uani 1 1 d D . .
H26A H 0.2611 0.8211 -0.0743 0.051 Uiso 1 1 calc R A .
H26B H 0.4099 0.7921 -0.1013 0.051 Uiso 1 1 calc R . .
H26C H 0.3529 0.8133 0.0041 0.051 Uiso 1 1 calc R . .
C27 C 0.3612(2) 0.36189(18) 0.20824(17) 0.0284(5) Uani 1 1 d D A .
H27A H 0.3729 0.3054 0.1669 0.034 Uiso 1 1 calc R . .
H27B H 0.2828 0.3641 0.2505 0.034 Uiso 1 1 calc R . .
C28 C 0.4713(2) 0.3331(2) 0.26629(18) 0.0357(6) Uani 1 1 d D . .
H28A H 0.5477 0.3345 0.2238 0.054 Uiso 1 1 calc R A .
H28B H 0.4816 0.2586 0.3037 0.054 Uiso 1 1 calc R . .
H28C H 0.4567 0.3873 0.3093 0.054 Uiso 1 1 calc R . .
C29 C -0.2063(2) 0.4729(2) 0.49118(17) 0.0403(6) Uani 1 1 d D . .
H29A H -0.1751 0.5134 0.5301 0.048 Uiso 1 1 calc R A .
H29B H -0.1348 0.4115 0.4717 0.048 Uiso 1 1 calc R . .
C210 C -0.3053(4) 0.4276(5) 0.5474(3) 0.1088(18) Uani 1 1 d D A .
H21A H -0.3757 0.4887 0.5666 0.163 Uiso 1 1 calc R . .
H21B H -0.2714 0.3774 0.6043 0.163 Uiso 1 1 calc R . .
H21C H -0.3347 0.3865 0.5089 0.163 Uiso 1 1 calc R . .
C211 C -0.4375(2) 0.6029(2) 0.23351(19) 0.0333(5) Uani 1 1 d D . .
H21D H -0.4811 0.5848 0.2968 0.040 Uiso 1 1 calc R A .
H21E H -0.4280 0.5425 0.1969 0.040 Uiso 1 1 calc R . .
C212 C -0.5119(2) 0.7111(2) 0.1821(2) 0.0445(7) Uani 1 1 d D A .
H21F H -0.5205 0.7704 0.2188 0.067 Uiso 1 1 calc R . .
H21G H -0.5954 0.7059 0.1744 0.067 Uiso 1 1 calc R . .
H21H H -0.4684 0.7279 0.1193 0.067 Uiso 1 1 calc R . .

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 0.02233(9) 0.02666(9) 0.03197(10) -0.00492(7) -0.00214(7) 0.00201(7)
Ag2 0.03309(10) 0.02418(9) 0.02622(9) -0.00771(7) -0.00390(7) -0.01216(7)
S11A 0.0364(7) 0.0510(9) 0.0357(8) -0.0226(7) -0.0108(6) 0.0106(6)
S11B 0.0399(19) 0.057(2) 0.0302(17) -0.0198(16) -0.0122(13) 0.0145(15)
S12 0.0210(3) 0.0203(3) 0.0357(3) -0.0080(2) -0.0047(2) -0.0047(2)
P11 0.0299(3) 0.0393(4) 0.0234(3) -0.0046(3) -0.0055(3) 0.0004(3)
P12 0.0216(3) 0.0174(3) 0.0240(3) -0.0059(2) -0.0015(2) -0.0054(2)
O11 0.0403(10) 0.0487(11) 0.0244(9) -0.0049(8) -0.0098(7) -0.0086(8)
O12 0.0811(16) 0.0721(16) 0.0410(12) 0.0132(11) 0.0085(11) -0.0352(13)
O13 0.0268(8) 0.0317(8) 0.0239(8) -0.0031(7) -0.0013(6) -0.0104(7)
O14 0.0307(8) 0.0188(7) 0.0364(9) -0.0113(7) 0.0014(7) -0.0079(6)
N11 0.0228(9) 0.0192(9) 0.0233(9) -0.0030(7) -0.0035(7) -0.0030(7)
C11 0.0259(11) 0.0207(10) 0.0247(11) -0.0023(9) -0.0052(9) -0.0024(9)
C12 0.0238(11) 0.0280(12) 0.0342(13) -0.0049(10) -0.0086(10) 0.0029(9)
C13 0.0242(11) 0.0294(12) 0.0323(13) -0.0095(10) -0.0014(10) 0.0010(9)
C14 0.0235(11) 0.0176(10) 0.0254(11) -0.0046(8) -0.0019(9) -0.0045(8)
C15 0.0585(19) 0.074(2) 0.0306(15) -0.0122(14) -0.0195(14) -0.0065(16)
C16 0.067(2) 0.074(2) 0.056(2) -0.0243(17) -0.0254(17) -0.0151(18)
C17A 0.082(5) 0.170(7) 0.134(7) 0.045(6) 0.003(5) -0.042(5)
C18A 0.112(5) 0.054(3) 0.069(4) 0.010(3) 0.029(3) -0.028(3)
C17B 0.092(8) 0.072(7) 0.058(6) 0.008(5) 0.008(6) -0.066(6)
C18B 0.087(7) 0.064(7) 0.077(7) 0.024(6) 0.020(6) -0.034(6)
C19 0.0363(13) 0.0343(13) 0.0232(12) 0.0023(10) -0.0045(10) -0.0078(11)
C110 0.0575(18) 0.0523(17) 0.0335(15) -0.0145(13) -0.0046(13) -0.0074(14)
C111 0.0389(14) 0.0210(12) 0.0611(18) -0.0117(12) 0.0085(13) -0.0143(11)
C112 0.076(2) 0.0323(15) 0.0547(18) -0.0065(13) 0.0191(16) -0.0266(15)
S21 0.0215(3) 0.0227(3) 0.0235(3) -0.0088(2) 0.0005(2) -0.0053(2)
S22 0.0198(3) 0.0217(3) 0.0434(3) -0.0063(2) -0.0007(2) -0.0057(2)
P21 0.0155(2) 0.0174(2) 0.0209(3) -0.0036(2) -0.0011(2) -0.0049(2)
P22 0.0169(3) 0.0204(3) 0.0204(3) -0.0026(2) 0.0009(2) -0.0039(2)
O21 0.0211(7) 0.0183(7) 0.0247(8) -0.0026(6) 0.0015(6) -0.0070(6)
O22 0.0175(7) 0.0206(7) 0.0284(8) 0.0002(6) -0.0046(6) -0.0060(6)
O23 0.0275(8) 0.0330(9) 0.0214(8) -0.0047(7) 0.0042(6) -0.0050(7)
O24 0.0173(7) 0.0233(8) 0.0299(8) 0.0005(6) -0.0040(6) -0.0046(6)
N21 0.0156(8) 0.0195(8) 0.0190(8) -0.0049(7) -0.0005(7) -0.0046(7)
C21 0.0165(10) 0.0196(10) 0.0197(10) -0.0042(8) -0.0011(8) -0.0041(8)
C22 0.0253(11) 0.0254(11) 0.0264(11) -0.0091(9) -0.0021(9) -0.0115(9)
C23 0.0245(11) 0.0264(11) 0.0227(11) -0.0102(9) -0.0002(9) -0.0067(9)
C24 0.0177(10) 0.0196(10) 0.0184(10) -0.0027(8) -0.0004(8) -0.0048(8)
C25 0.0403(14) 0.0294(13) 0.0438(15) -0.0097(11) 0.0197(12) -0.0178(11)
C26 0.0333(13) 0.0291(12) 0.0403(14) -0.0006(11) 0.0055(11) -0.0160(10)
C27 0.0252(11) 0.0219(11) 0.0360(13) 0.0041(10) -0.0070(10) -0.0072(9)
C28 0.0383(14) 0.0376(14) 0.0324(13) 0.0072(11) -0.0148(11) -0.0154(11)
C29 0.0393(14) 0.0533(17) 0.0223(12) -0.0007(11) -0.0048(11) -0.0063(12)
C210 0.096(3) 0.172(5) 0.051(2) 0.052(3) -0.014(2) -0.069(3)
C211 0.0197(11) 0.0354(13) 0.0448(15) -0.0015(11) -0.0058(10) -0.0096(10)
C212 0.0328(14) 0.0432(15) 0.0563(18) -0.0036(13) -0.0222(13) -0.0033(12)

_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 N11 2.2085(17) . ?
Ag1 S22 2.4648(6) . ?
Ag1 S11A 2.7583(17) . ?
Ag1 S11B 2.764(4) . ?
Ag1 Ag2 3.0381(3) . ?
Ag2 N21 2.2787(16) . ?
Ag2 S12 2.5124(6) . ?
Ag2 S21 2.6696(6) 2_565 ?
Ag2 S21 2.8115(6) . ?
Ag2 Ag2 3.0903(4) 2_565 ?
S11A P11 1.9726(17) . ?
S11B P11 1.932(4) . ?
S12 P12 1.9652(8) . ?
P11 O11 1.5697(18) . ?
P11 O12 1.573(2) . ?
P11 C11 1.761(2) . ?
P12 O13 1.5677(16) . ?
P12 O14 1.5914(15) . ?
P12 C14 1.765(2) . ?
O11 C15 1.454(3) . ?
O12 C17A 1.406(6) . ?
O12 C17B 1.455(7) . ?
O13 C19 1.465(3) . ?
O14 C111 1.456(3) . ?
N11 C14 1.361(3) . ?
N11 C11 1.369(3) . ?
C11 C12 1.397(3) . ?
C12 C13 1.391(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.402(3) . ?
C13 H13 0.9500 . ?
C15 C16 1.477(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17A C18A 1.445(6) . ?
C17A H17A 0.9900 . ?
C17A H17B 0.9900 . ?
C18A H18A 0.9800 . ?
C18A H18B 0.9800 . ?
C18A H18C 0.9800 . ?
C17B C18B 1.490(7) . ?
C17B H17C 0.9900 . ?
C17B H17D 0.9900 . ?
C18B H18D 0.9800 . ?
C18B H18E 0.9800 . ?
C18B H18F 0.9800 . ?
C19 C110 1.487(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 C112 1.494(4) . ?
C111 H11D 0.9900 . ?
C111 H11E 0.9900 . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
S21 P21 1.9684(7) . ?
S21 Ag2 2.6696(6) 2_565 ?
S22 P22 1.9679(8) . ?
P21 O21 1.5789(14) . ?
P21 O22 1.5899(14) . ?
P21 C21 1.765(2) . ?
P22 O24 1.5772(15) . ?
P22 O23 1.5817(16) . ?
P22 C24 1.760(2) . ?
O21 C25 1.461(2) . ?
O22 C27 1.463(2) . ?
O23 C29 1.462(3) . ?
O24 C211 1.458(2) . ?
N21 C21 1.365(3) . ?
N21 C24 1.369(3) . ?
C21 C22 1.401(3) . ?
C22 C23 1.392(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.402(3) . ?
C23 H23 0.9500 . ?
C25 C26 1.503(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.500(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C210 1.470(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C211 C212 1.495(3) . ?
C211 H21D 0.9900 . ?
C211 H21E 0.9900 . ?
C212 H21F 0.9800 . ?
C212 H21G 0.9800 . ?
C212 H21H 0.9800 . ?

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
N11 Ag1 S22 159.32(5) . . ?
N11 Ag1 S11A 84.48(6) . . ?
S22 Ag1 S11A 113.32(4) . . ?
N11 Ag1 S11B 84.72(9) . . ?
S22 Ag1 S11B 109.88(8) . . ?
S11A Ag1 S11B 14.16(8) . . ?
N11 Ag1 Ag2 97.87(5) . . ?
S22 Ag1 Ag2 76.815(15) . . ?
S11A Ag1 Ag2 136.40(3) . . ?
S11B Ag1 Ag2 150.46(9) . . ?
N21 Ag2 S12 137.74(4) . . ?
N21 Ag2 S21 100.37(4) . 2_565 ?
S12 Ag2 S21 109.464(18) . 2_565 ?
N21 Ag2 S21 82.99(4) . . ?
S12 Ag2 S21 111.601(17) . . ?
S21 Ag2 S21 111.416(14) 2_565 . ?
N21 Ag2 Ag1 68.89(4) . . ?
S12 Ag2 Ag1 68.863(14) . . ?
S21 Ag2 Ag1 133.815(14) 2_565 . ?
S21 Ag2 Ag1 111.467(13) . . ?
N21 Ag2 Ag2 92.54(4) . 2_565 ?
S12 Ag2 Ag2 128.518(16) . 2_565 ?
S21 Ag2 Ag2 57.881(13) 2_565 2_565 ?
S21 Ag2 Ag2 53.535(12) . 2_565 ?
Ag1 Ag2 Ag2 158.595(10) . 2_565 ?
P11 S11A Ag1 93.20(6) . . ?
P11 S11B Ag1 93.95(14) . . ?
P12 S12 Ag2 106.17(3) . . ?
O11 P11 O12 100.52(11) . . ?
O11 P11 C11 102.99(10) . . ?
O12 P11 C11 108.36(12) . . ?
O11 P11 S11B 125.61(14) . . ?
O12 P11 S11B 99.66(15) . . ?
C11 P11 S11B 117.32(13) . . ?
O11 P11 S11A 111.56(9) . . ?
O12 P11 S11A 118.42(11) . . ?
C11 P11 S11A 113.22(9) . . ?
O13 P12 O14 101.51(8) . . ?
O13 P12 C14 103.66(9) . . ?
O14 P12 C14 108.07(9) . . ?
O13 P12 S12 116.20(6) . . ?
O14 P12 S12 109.93(6) . . ?
C14 P12 S12 116.20(8) . . ?
C15 O11 P11 120.58(17) . . ?
C17A O12 P11 137.5(4) . . ?
C17B O12 P11 112.2(5) . . ?
C19 O13 P12 120.97(14) . . ?
C111 O14 P12 122.47(14) . . ?
C14 N11 C11 105.68(17) . . ?
C14 N11 Ag1 130.26(14) . . ?
C11 N11 Ag1 122.63(14) . . ?
N11 C11 C12 110.76(19) . . ?
N11 C11 P11 119.83(16) . . ?
C12 C11 P11 129.33(17) . . ?
C13 C12 C11 106.45(19) . . ?
C13 C12 H12 126.8 . . ?
C11 C12 H12 126.8 . . ?
C12 C13 C14 106.1(2) . . ?
C12 C13 H13 126.9 . . ?
C14 C13 H13 126.9 . . ?
N11 C14 C13 111.00(19) . . ?
N11 C14 P12 122.18(16) . . ?
C13 C14 P12 126.21(17) . . ?
O11 C15 C16 108.9(2) . . ?
O11 C15 H15A 109.9 . . ?
C16 C15 H15A 109.9 . . ?
O11 C15 H15B 109.9 . . ?
C16 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O12 C17A C18A 113.7(5) . . ?
O12 C17A H17A 108.8 . . ?
C18A C17A H17A 108.8 . . ?
O12 C17A H17B 108.8 . . ?
C18A C17A H17B 108.8 . . ?
H17A C17A H17B 107.7 . . ?
O12 C17B C18B 106.1(8) . . ?
O12 C17B H17C 110.5 . . ?
C18B C17B H17C 110.5 . . ?
O12 C17B H17D 110.5 . . ?
C18B C17B H17D 110.5 . . ?
H17C C17B H17D 108.7 . . ?
C17B C18B H18D 109.5 . . ?
C17B C18B H18E 109.5 . . ?
H18D C18B H18E 109.5 . . ?
C17B C18B H18F 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?
O13 C19 C110 110.1(2) . . ?
O13 C19 H19A 109.6 . . ?
C110 C19 H19A 109.6 . . ?
O13 C19 H19B 109.6 . . ?
C110 C19 H19B 109.6 . . ?
H19A C19 H19B 108.1 . . ?
C19 C110 H11A 109.5 . . ?
C19 C110 H11B 109.5 . . ?
H11A C110 H11B 109.5 . . ?
C19 C110 H11C 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
O14 C111 C112 112.6(2) . . ?
O14 C111 H11D 109.1 . . ?
C112 C111 H11D 109.1 . . ?
O14 C111 H11E 109.1 . . ?
C112 C111 H11E 109.1 . . ?
H11D C111 H11E 107.8 . . ?
C111 C112 H11F 109.5 . . ?
C111 C112 H11G 109.5 . . ?
H11F C112 H11G 109.5 . . ?
C111 C112 H11H 109.5 . . ?
H11F C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
P21 S21 Ag2 101.88(3) . 2_565 ?
P21 S21 Ag2 95.66(2) . . ?
Ag2 S21 Ag2 68.584(14) 2_565 . ?
P22 S22 Ag1 99.92(3) . . ?
O21 P21 O22 100.83(8) . . ?
O21 P21 C21 103.94(9) . . ?
O22 P21 C21 107.84(9) . . ?
O21 P21 S21 116.21(6) . . ?
O22 P21 S21 111.55(6) . . ?
C21 P21 S21 115.16(7) . . ?
O24 P22 O23 100.82(8) . . ?
O24 P22 C24 105.15(9) . . ?
O23 P22 C24 106.76(9) . . ?
O24 P22 S22 112.48(6) . . ?
O23 P22 S22 114.45(7) . . ?
C24 P22 S22 115.74(7) . . ?
C25 O21 P21 120.98(13) . . ?
C27 O22 P21 118.65(12) . . ?
C29 O23 P22 122.00(15) . . ?
C211 O24 P22 122.32(13) . . ?
C21 N21 C24 105.07(16) . . ?
C21 N21 Ag2 123.32(13) . . ?
C24 N21 Ag2 131.35(13) . . ?
N21 C21 C22 111.23(18) . . ?
N21 C21 P21 122.11(15) . . ?
C22 C21 P21 126.52(16) . . ?
C23 C22 C21 106.44(19) . . ?
C23 C22 H22 126.8 . . ?
C21 C22 H22 126.8 . . ?
C22 C23 C24 105.78(18) . . ?
C22 C23 H23 127.1 . . ?
C24 C23 H23 127.1 . . ?
N21 C24 C23 111.47(18) . . ?
N21 C24 P22 121.31(15) . . ?
C23 C24 P22 127.08(16) . . ?
O21 C25 C26 107.87(18) . . ?
O21 C25 H25A 110.1 . . ?
C26 C25 H25A 110.1 . . ?
O21 C25 H25B 110.1 . . ?
C26 C25 H25B 110.1 . . ?
H25A C25 H25B 108.4 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O22 C27 C28 107.59(17) . . ?
O22 C27 H27A 110.2 . . ?
C28 C27 H27A 110.2 . . ?
O22 C27 H27B 110.2 . . ?
C28 C27 H27B 110.2 . . ?
H27A C27 H27B 108.5 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O23 C29 C210 109.2(2) . . ?
O23 C29 H29A 109.8 . . ?
C210 C29 H29A 109.8 . . ?
O23 C29 H29B 109.8 . . ?
C210 C29 H29B 109.8 . . ?
H29A C29 H29B 108.3 . . ?
C29 C210 H21A 109.5 . . ?
C29 C210 H21B 109.5 . . ?
H21A C210 H21B 109.5 . . ?
C29 C210 H21C 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
O24 C211 C212 107.89(19) . . ?
O24 C211 H21D 110.1 . . ?
C212 C211 H21D 110.1 . . ?
O24 C211 H21E 110.1 . . ?
C212 C211 H21E 110.1 . . ?
H21D C211 H21E 108.4 . . ?
C211 C212 H21F 109.5 . . ?
C211 C212 H21G 109.5 . . ?
H21F C212 H21G 109.5 . . ?
C211 C212 H21H 109.5 . . ?
H21F C212 H21H 109.5 . . ?
H21G C212 H21H 109.5 . . ?

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
N11 Ag1 Ag2 N21 -114.78(6) . . . . ?
S22 Ag1 Ag2 N21 85.56(5) . . . . ?
S11A Ag1 Ag2 N21 -24.53(7) . . . . ?
S11B Ag1 Ag2 N21 -21.59(16) . . . . ?
N11 Ag1 Ag2 S12 64.01(5) . . . . ?
S22 Ag1 Ag2 S12 -95.65(2) . . . . ?
S11A Ag1 Ag2 S12 154.25(5) . . . . ?
S11B Ag1 Ag2 S12 157.19(16) . . . . ?
N11 Ag1 Ag2 S21 161.14(5) . . . 2_565 ?
S22 Ag1 Ag2 S21 1.48(2) . . . 2_565 ?
S11A Ag1 Ag2 S21 -108.61(5) . . . 2_565 ?
S11B Ag1 Ag2 S21 -105.68(16) . . . 2_565 ?
N11 Ag1 Ag2 S21 -41.78(5) . . . . ?
S22 Ag1 Ag2 S21 158.557(19) . . . . ?
S11A Ag1 Ag2 S21 48.46(5) . . . . ?
S11B Ag1 Ag2 S21 51.40(16) . . . . ?
N11 Ag1 Ag2 Ag2 -83.48(5) . . . 2_565 ?
S22 Ag1 Ag2 Ag2 116.86(3) . . . 2_565 ?
S11A Ag1 Ag2 Ag2 6.77(6) . . . 2_565 ?
S11B Ag1 Ag2 Ag2 9.71(16) . . . 2_565 ?
N11 Ag1 S11A P11 -14.20(7) . . . . ?
S22 Ag1 S11A P11 154.88(5) . . . . ?
S11B Ag1 S11A P11 76.1(4) . . . . ?
Ag2 Ag1 S11A P11 -109.82(5) . . . . ?
N11 Ag1 S11B P11 5.60(13) . . . . ?
S22 Ag1 S11B P11 170.55(10) . . . . ?
S11A Ag1 S11B P11 -82.7(4) . . . . ?
Ag2 Ag1 S11B P11 -91.05(18) . . . . ?
N21 Ag2 S12 P12 -82.16(7) . . . . ?
S21 Ag2 S12 P12 145.57(3) 2_565 . . . ?
S21 Ag2 S12 P12 21.75(3) . . . . ?
Ag1 Ag2 S12 P12 -83.85(3) . . . . ?
Ag2 Ag2 S12 P12 81.63(3) 2_565 . . . ?
Ag1 S11B P11 O11 131.79(11) . . . . ?
Ag1 S11B P11 O12 -117.73(13) . . . . ?
Ag1 S11B P11 C11 -1.14(18) . . . . ?
Ag1 S11B P11 S11A 81.9(4) . . . . ?
Ag1 S11A P11 O11 139.52(8) . . . . ?
Ag1 S11A P11 O12 -104.56(12) . . . . ?
Ag1 S11A P11 C11 23.90(10) . . . . ?
Ag1 S11A P11 S11B -82.4(4) . . . . ?
Ag2 S12 P12 O13 -58.65(7) . . . . ?
Ag2 S12 P12 O14 -173.18(7) . . . . ?
Ag2 S12 P12 C14 63.72(8) . . . . ?
O12 P11 O11 C15 -65.6(2) . . . . ?
C11 P11 O11 C15 -177.4(2) . . . . ?
S11B P11 O11 C15 44.5(3) . . . . ?
S11A P11 O11 C15 60.8(2) . . . . ?
O11 P11 O12 C17A 144.4(7) . . . . ?
C11 P11 O12 C17A -108.0(7) . . . . ?
S11B P11 O12 C17A 15.1(7) . . . . ?
S11A P11 O12 C17A 22.7(7) . . . . ?
O11 P11 O12 C17B 166.8(7) . . . . ?
C11 P11 O12 C17B -85.6(7) . . . . ?
S11B P11 O12 C17B 37.6(7) . . . . ?
S11A P11 O12 C17B 45.1(7) . . . . ?
O14 P12 O13 C19 75.63(17) . . . . ?
C14 P12 O13 C19 -172.34(16) . . . . ?
S12 P12 O13 C19 -43.58(17) . . . . ?
O13 P12 O14 C111 -167.16(18) . . . . ?
C14 P12 O14 C111 84.19(19) . . . . ?
S12 P12 O14 C111 -43.57(19) . . . . ?
S22 Ag1 N11 C14 47.1(3) . . . . ?
S11A Ag1 N11 C14 -162.45(18) . . . . ?
S11B Ag1 N11 C14 -176.7(2) . . . . ?
Ag2 Ag1 N11 C14 -26.30(18) . . . . ?
S22 Ag1 N11 C11 -148.59(13) . . . . ?
S11A Ag1 N11 C11 1.88(16) . . . . ?
S11B Ag1 N11 C11 -12.34(18) . . . . ?
Ag2 Ag1 N11 C11 138.03(16) . . . . ?
C14 N11 C11 C12 -0.1(2) . . . . ?
Ag1 N11 C11 C12 -167.75(15) . . . . ?
C14 N11 C11 P11 -177.37(15) . . . . ?
Ag1 N11 C11 P11 15.0(2) . . . . ?
O11 P11 C11 N11 -150.14(17) . . . . ?
O12 P11 C11 N11 103.96(19) . . . . ?
S11B P11 C11 N11 -7.8(2) . . . . ?
S11A P11 C11 N11 -29.5(2) . . . . ?
O11 P11 C11 C12 33.2(2) . . . . ?
O12 P11 C11 C12 -72.7(2) . . . . ?
S11B P11 C11 C12 175.5(2) . . . . ?
S11A P11 C11 C12 153.8(2) . . . . ?
N11 C11 C12 C13 0.1(3) . . . . ?
P11 C11 C12 C13 177.07(18) . . . . ?
C11 C12 C13 C14 -0.1(3) . . . . ?
C11 N11 C14 C13 0.0(2) . . . . ?
Ag1 N11 C14 C13 166.38(15) . . . . ?
C11 N11 C14 P12 171.60(15) . . . . ?
Ag1 N11 C14 P12 -22.1(3) . . . . ?
C12 C13 C14 N11 0.0(3) . . . . ?
C12 C13 C14 P12 -171.10(17) . . . . ?
O13 P12 C14 N11 139.12(17) . . . . ?
O14 P12 C14 N11 -113.71(17) . . . . ?
S12 P12 C14 N11 10.4(2) . . . . ?
O13 P12 C14 C13 -50.7(2) . . . . ?
O14 P12 C14 C13 56.5(2) . . . . ?
S12 P12 C14 C13 -179.42(17) . . . . ?
P11 O11 C15 C16 -165.2(2) . . . . ?
C17B O12 C17A C18A 177(2) . . . . ?
P11 O12 C17A C18A -140.1(5) . . . . ?
C17A O12 C17B C18B -18.9(13) . . . . ?
P11 O12 C17B C18B -168.8(9) . . . . ?
P12 O13 C19 C110 -113.7(2) . . . . ?
P12 O14 C111 C112 -66.0(3) . . . . ?
N21 Ag2 S21 P21 2.15(5) . . . . ?
S12 Ag2 S21 P21 -136.73(3) . . . . ?
S21 Ag2 S21 P21 100.57(3) 2_565 . . . ?
Ag1 Ag2 S21 P21 -61.86(2) . . . . ?
Ag2 Ag2 S21 P21 100.57(3) 2_565 . . . ?
N21 Ag2 S21 Ag2 -98.42(4) . . . 2_565 ?
S12 Ag2 S21 Ag2 122.701(18) . . . 2_565 ?
S21 Ag2 S21 Ag2 0.0 2_565 . . 2_565 ?
Ag1 Ag2 S21 Ag2 -162.431(11) . . . 2_565 ?
N11 Ag1 S22 P22 -154.21(13) . . . . ?
S11A Ag1 S22 P22 58.07(5) . . . . ?
S11B Ag1 S22 P22 72.86(9) . . . . ?
Ag2 Ag1 S22 P22 -77.07(3) . . . . ?
Ag2 S21 P21 O21 -58.87(7) 2_565 . . . ?
Ag2 S21 P21 O21 -128.13(6) . . . . ?
Ag2 S21 P21 O22 -173.68(6) 2_565 . . . ?
Ag2 S21 P21 O22 117.06(6) . . . . ?
Ag2 S21 P21 C21 63.00(8) 2_565 . . . ?
Ag2 S21 P21 C21 -6.26(8) . . . . ?
Ag1 S22 P22 O24 141.96(6) . . . . ?
Ag1 S22 P22 O23 -103.75(7) . . . . ?
Ag1 S22 P22 C24 21.06(8) . . . . ?
O22 P21 O21 C25 70.65(18) . . . . ?
C21 P21 O21 C25 -177.70(17) . . . . ?
S21 P21 O21 C25 -50.07(18) . . . . ?
O21 P21 O22 C27 173.03(15) . . . . ?
C21 P21 O22 C27 64.41(17) . . . . ?
S21 P21 O22 C27 -62.98(16) . . . . ?
O24 P22 O23 C29 169.68(17) . . . . ?
C24 P22 O23 C29 -80.72(19) . . . . ?
S22 P22 O23 C29 48.71(19) . . . . ?
O23 P22 O24 C211 -85.24(18) . . . . ?
C24 P22 O24 C211 163.91(17) . . . . ?
S22 P22 O24 C211 37.12(18) . . . . ?
S12 Ag2 N21 C21 117.96(14) . . . . ?
S21 Ag2 N21 C21 -107.21(15) 2_565 . . . ?
S21 Ag2 N21 C21 3.37(14) . . . . ?
Ag1 Ag2 N21 C21 119.65(15) . . . . ?
Ag2 Ag2 N21 C21 -49.41(15) 2_565 . . . ?
S12 Ag2 N21 C24 -68.82(18) . . . . ?
S21 Ag2 N21 C24 66.01(17) 2_565 . . . ?
S21 Ag2 N21 C24 176.59(17) . . . . ?
Ag1 Ag2 N21 C24 -67.13(16) . . . . ?
Ag2 Ag2 N21 C24 123.81(17) 2_565 . . . ?
C24 N21 C21 C22 0.3(2) . . . . ?
Ag2 N21 C21 C22 175.05(13) . . . . ?
C24 N21 C21 P21 176.24(14) . . . . ?
Ag2 N21 C21 P21 -9.0(2) . . . . ?
O21 P21 C21 N21 139.00(16) . . . . ?
O22 P21 C21 N21 -114.54(16) . . . . ?
S21 P21 C21 N21 10.73(19) . . . . ?
O21 P21 C21 C22 -45.7(2) . . . . ?
O22 P21 C21 C22 60.7(2) . . . . ?
S21 P21 C21 C22 -174.00(16) . . . . ?
N21 C21 C22 C23 -0.4(2) . . . . ?
P21 C21 C22 C23 -176.09(16) . . . . ?
C21 C22 C23 C24 0.3(2) . . . . ?
C21 N21 C24 C23 -0.1(2) . . . . ?
Ag2 N21 C24 C23 -174.27(14) . . . . ?
C21 N21 C24 P22 175.80(14) . . . . ?
Ag2 N21 C24 P22 1.7(3) . . . . ?
C22 C23 C24 N21 -0.1(2) . . . . ?
C22 C23 C24 P22 -175.75(16) . . . . ?
O24 P22 C24 N21 -88.42(17) . . . . ?
O23 P22 C24 N21 165.04(15) . . . . ?
S22 P22 C24 N21 36.35(18) . . . . ?
O24 P22 C24 C23 86.8(2) . . . . ?
O23 P22 C24 C23 -19.7(2) . . . . ?
S22 P22 C24 C23 -148.39(17) . . . . ?
P21 O21 C25 C26 173.48(16) . . . . ?
P21 O22 C27 C28 -168.97(16) . . . . ?
P22 O23 C29 C210 -111.8(3) . . . . ?
P22 O24 C211 C212 174.47(17) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.837
_refine_diff_density_min         -0.740
_refine_diff_density_rms         0.075

#===END