# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2003


data_global
_publ_contact_author_email       CHENWEI@MBOX.CYCU.EDU.TW
_publ_contact_author_name        'Prof Chen-Wei Liu'
_journal_name_full               Chem.Commun.
_journal_coden_Cambridge         0182
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
loop_
_publ_author_name
C.-W.Liu
H.-C.Haia
C.-M.Hung
B.-J.Liaw
L.-S.Liou
Y.-F.Tsai
;
J.-C.Wang
;

data_1a
_database_code_CSD               202721

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H61 Ag8 Br F6 O12.50 P7 Se12'
_chemical_formula_weight         2770.91

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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           Rhombohedral
_symmetry_space_group_name_H-M   R-3c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   18.0461(13)
_cell_length_b                   18.0461(13)
_cell_length_c                   75.366(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     21256(4)
_cell_formula_units_Z            12
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    911
_cell_measurement_theta_min      2.78
_cell_measurement_theta_max      24.89

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.40
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    2.598
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             15396
_exptl_absorpt_coefficient_mu    9.106
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.2558
_exptl_absorpt_correction_T_max  0.8990
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_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            14450
_diffrn_reflns_av_R_equivalents  0.0287
_diffrn_reflns_av_sigmaI/netI    0.0323
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -89
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_theta_min         2.40
_diffrn_reflns_theta_max         25.04
_reflns_number_total             4126
_reflns_number_gt                2698
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker 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^)+(0.0683P)^2^+297.6373P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4126
_refine_ls_number_parameters     212
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0536
_refine_ls_wR_factor_ref         0.1583
_refine_ls_wR_factor_gt          0.1366
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.005
_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
Br1 Br 0.3333 0.6667 0.24480(2) 0.0635(5) Uani 1 3 d S . .
Ag1 Ag 0.3333 0.6667 0.28410(2) 0.0645(4) Uani 1 3 d S . .
Ag2 Ag 0.30953(7) 0.50736(6) 0.231576(14) 0.0855(3) Uani 1 1 d . . .
Ag3 Ag 0.15951(6) 0.52701(6) 0.256552(13) 0.0837(3) Uani 1 1 d . . .
Ag4 Ag 0.3333 0.6667 0.20550(3) 0.0926(5) Uani 1 3 d S . .
Se1 Se 0.20417(8) 0.79136(8) 0.257168(17) 0.0784(4) Uani 1 1 d . . .
Se2 Se 0.16886(7) 0.60399(7) 0.286531(14) 0.0634(3) Uani 1 1 d . . .
Se3 Se 0.07374(7) 0.53136(9) 0.229327(17) 0.0856(4) Uani 1 1 d . . .
Se4 Se 0.23364(9) 0.50305(9) 0.201346(18) 0.0904(4) Uani 1 1 d . . .
P1 P 0.16668(18) 0.72086(19) 0.28197(4) 0.0670(7) Uani 1 1 d . . .
P2 P 0.1055(2) 0.4732(2) 0.20784(5) 0.0880(10) Uani 1 1 d . . .
O1 O 0.0534(12) 0.3766(10) 0.2075(3) 0.240(11) Uani 1 1 d D . .
O2 O 0.0593(8) 0.4783(10) 0.19104(15) 0.142(4) Uani 1 1 d . . .
O3 O 0.0704(5) 0.6940(6) 0.28624(14) 0.100(3) Uani 1 1 d . . .
O4 O 0.2258(6) 0.7905(5) 0.29582(11) 0.089(2) Uani 1 1 d . . .
C1 C 0.0034(15) 0.2302(14) 0.2147(5) 0.234(16) Uani 1 1 d D . .
H1A H -0.0285 0.1869 0.2234 0.352 Uiso 1 1 calc R . .
H1B H 0.0575 0.2336 0.2127 0.352 Uiso 1 1 calc R . .
H1C H -0.0282 0.2160 0.2038 0.352 Uiso 1 1 calc R . .
C2 C 0.0651(17) 0.5484(13) 0.1837(3) 0.180(11) Uani 1 1 d . . .
H2A H 0.1209 0.5801 0.1781 0.216 Uiso 1 1 calc R . .
H2B H 0.0636 0.5840 0.1932 0.216 Uiso 1 1 calc R . .
C3 C 0.0182(16) 0.3168(15) 0.2214(3) 0.231(14) Uani 1 1 d D . .
H3A H -0.0356 0.3116 0.2252 0.277 Uiso 1 1 calc R . .
H3B H 0.0570 0.3357 0.2314 0.277 Uiso 1 1 calc R . .
C4 C 0.2818(14) 0.8522(14) 0.3245(2) 0.174(9) Uani 1 1 d . . .
H4A H 0.2845 0.8395 0.3368 0.261 Uiso 1 1 calc R . .
H4B H 0.2552 0.8867 0.3235 0.261 Uiso 1 1 calc R . .
H4C H 0.3386 0.8827 0.3197 0.261 Uiso 1 1 calc R . .
C5 C 0.0025(10) 0.5379(16) 0.1709(2) 0.159(8) Uani 1 1 d . . .
H5A H 0.0131 0.5930 0.1670 0.239 Uiso 1 1 calc R . .
H5B H -0.0534 0.5070 0.1761 0.239 Uiso 1 1 calc R . .
H5C H 0.0055 0.5064 0.1609 0.239 Uiso 1 1 calc R . .
C6 C 0.0357(12) 0.7492(15) 0.2845(4) 0.195(12) Uani 1 1 d . . .
H6A H 0.0753 0.8032 0.2901 0.234 Uiso 1 1 calc R . .
H6B H 0.0341 0.7604 0.2720 0.234 Uiso 1 1 calc R . .
C7 C 0.2305(11) 0.7707(10) 0.3145(2) 0.113(5) Uani 1 1 d . . .
H7A H 0.2571 0.7356 0.3155 0.136 Uiso 1 1 calc R . .
H7B H 0.1733 0.7391 0.3195 0.136 Uiso 1 1 calc R . .
C8 C -0.0411(12) 0.7238(15) 0.2911(4) 0.235(16) Uani 1 1 d . . .
H8A H -0.0552 0.7680 0.2895 0.353 Uiso 1 1 calc R . .
H8B H -0.0414 0.7120 0.3035 0.353 Uiso 1 1 calc R . .
H8C H -0.0824 0.6729 0.2851 0.353 Uiso 1 1 calc R . .
P3 P 0.3333 0.6667 0.35397(17) 0.197(6) Uani 1 3 d S . .
F1 F 0.2773(15) 0.5917(16) 0.3632(5) 0.369(19) Uani 1 1 d . . .
F2 F 0.382(2) 0.743(2) 0.3419(5) 0.43(2) Uani 1 1 d . . .
O5 O 0.3333 0.6667 0.4167 0.42(5) Uiso 1 6 d S . .

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
Br1 0.0646(6) 0.0646(6) 0.0615(11) 0.000 0.000 0.0323(3)
Ag1 0.0620(5) 0.0620(5) 0.0695(9) 0.000 0.000 0.0310(3)
Ag2 0.0989(7) 0.0763(6) 0.0783(6) -0.0077(5) -0.0033(5) 0.0414(5)
Ag3 0.0960(7) 0.0774(6) 0.0700(6) 0.0000(5) -0.0119(5) 0.0375(5)
Ag4 0.1000(8) 0.1000(8) 0.0776(11) 0.000 0.000 0.0500(4)
Se1 0.0964(9) 0.0881(8) 0.0737(7) 0.0109(6) 0.0075(6) 0.0633(7)
Se2 0.0580(6) 0.0702(7) 0.0580(6) 0.0082(5) 0.0078(5) 0.0291(5)
Se3 0.0588(7) 0.1170(10) 0.0717(8) -0.0035(7) -0.0079(6) 0.0371(7)
Se4 0.1060(10) 0.1010(10) 0.0677(8) -0.0273(7) -0.0148(7) 0.0544(8)
P1 0.0656(17) 0.0816(19) 0.0641(17) -0.0008(15) 0.0080(14) 0.0445(15)
P2 0.091(2) 0.073(2) 0.081(2) -0.0111(17) -0.0227(18) 0.0273(18)
O1 0.238(19) 0.120(11) 0.28(2) -0.031(13) 0.118(18) 0.028(12)
O2 0.158(10) 0.190(13) 0.091(8) -0.042(8) -0.055(7) 0.097(10)
O3 0.078(5) 0.118(7) 0.123(8) 0.020(6) 0.029(5) 0.063(5)
O4 0.108(6) 0.091(6) 0.072(5) -0.006(4) 0.006(5) 0.053(5)
C1 0.143(19) 0.110(16) 0.43(5) -0.02(2) 0.06(2) 0.046(15)
C2 0.25(3) 0.133(16) 0.102(14) 0.033(12) -0.034(16) 0.055(18)
C3 0.13(2) 0.27(4) 0.20(3) -0.01(3) -0.035(19) 0.04(2)
C4 0.21(2) 0.19(2) 0.070(11) -0.039(12) -0.003(12) 0.055(17)
C5 0.110(13) 0.27(3) 0.106(15) 0.040(15) 0.021(11) 0.101(15)
C6 0.139(16) 0.21(2) 0.30(3) 0.11(2) 0.107(19) 0.134(17)
C7 0.130(13) 0.117(12) 0.088(10) -0.015(9) 0.008(9) 0.057(10)
C8 0.105(14) 0.19(2) 0.44(5) -0.06(3) 0.01(2) 0.095(16)
P3 0.251(10) 0.251(10) 0.089(7) 0.000 0.000 0.125(5)
F1 0.26(2) 0.32(3) 0.45(5) 0.21(3) 0.04(2) 0.085(19)
F2 0.38(5) 0.56(6) 0.42(4) 0.27(3) 0.21(4) 0.28(4)

_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
Br1 Ag2 2.8649(12) 3_565 ?
Br1 Ag2 2.8649(12) 2_665 ?
Br1 Ag2 2.8649(12) . ?
Br1 Ag4 2.962(3) . ?
Br1 Ag1 2.962(2) . ?
Br1 Ag3 3.0117(12) 3_565 ?
Br1 Ag3 3.0117(12) . ?
Br1 Ag3 3.0117(12) 2_665 ?
Ag1 Se2 2.6010(10) . ?
Ag1 Se2 2.6010(11) 3_565 ?
Ag1 Se2 2.6010(10) 2_665 ?
Ag2 Se1 2.6152(17) 2_665 ?
Ag2 Se3 2.6188(17) 2_665 ?
Ag2 Se4 2.6393(17) . ?
Ag2 Ag3 3.2686(14) 2_665 ?
Ag2 Ag4 3.3282(15) . ?
Ag3 Se3 2.5949(16) . ?
Ag3 Se2 2.6132(15) . ?
Ag3 Se1 2.6195(16) 2_665 ?
Ag3 Ag2 3.2686(14) 3_565 ?
Ag4 Se4 2.5963(15) 3_565 ?
Ag4 Se4 2.5963(15) . ?
Ag4 Se4 2.5963(15) 2_665 ?
Ag4 Ag2 3.3282(15) 3_565 ?
Ag4 Ag2 3.3282(15) 2_665 ?
Se1 P1 2.170(3) . ?
Se1 Ag2 2.6152(16) 3_565 ?
Se1 Ag3 2.6195(16) 3_565 ?
Se2 P1 2.156(3) . ?
Se3 P2 2.158(4) . ?
Se3 Ag2 2.6188(17) 3_565 ?
Se4 P2 2.152(4) . ?
P1 O4 1.571(9) . ?
P1 O3 1.586(8) . ?
P2 O1 1.512(16) . ?
P2 O2 1.544(12) . ?
O1 C3 1.407(10) . ?
O2 C2 1.34(2) . ?
O3 C6 1.423(19) . ?
O4 C7 1.466(17) . ?
C1 C3 1.532(10) . ?
C2 C5 1.42(2) . ?
C4 C7 1.49(2) . ?
C6 C8 1.32(2) . ?
P3 F1 1.404(18) 3_565 ?
P3 F1 1.404(18) . ?
P3 F1 1.404(18) 2_665 ?
P3 F2 1.51(2) 2_665 ?
P3 F2 1.51(2) . ?
P3 F2 1.51(2) 3_565 ?

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
Ag2 Br1 Ag2 108.57(4) 3_565 2_665 ?
Ag2 Br1 Ag2 108.57(4) 3_565 . ?
Ag2 Br1 Ag2 108.57(4) 2_665 . ?
Ag2 Br1 Ag4 69.64(4) 3_565 . ?
Ag2 Br1 Ag4 69.64(4) 2_665 . ?
Ag2 Br1 Ag4 69.64(4) . . ?
Ag2 Br1 Ag1 110.36(4) 3_565 . ?
Ag2 Br1 Ag1 110.36(4) 2_665 . ?
Ag2 Br1 Ag1 110.36(4) . . ?
Ag4 Br1 Ag1 180.0 . . ?
Ag2 Br1 Ag3 72.04(3) 3_565 3_565 ?
Ag2 Br1 Ag3 67.53(3) 2_665 3_565 ?
Ag2 Br1 Ag3 175.85(6) . 3_565 ?
Ag4 Br1 Ag3 107.10(4) . 3_565 ?
Ag1 Br1 Ag3 72.90(4) . 3_565 ?
Ag2 Br1 Ag3 67.53(3) 3_565 . ?
Ag2 Br1 Ag3 175.85(6) 2_665 . ?
Ag2 Br1 Ag3 72.04(3) . . ?
Ag4 Br1 Ag3 107.10(4) . . ?
Ag1 Br1 Ag3 72.90(4) . . ?
Ag3 Br1 Ag3 111.73(3) 3_565 . ?
Ag2 Br1 Ag3 175.85(6) 3_565 2_665 ?
Ag2 Br1 Ag3 72.04(3) 2_665 2_665 ?
Ag2 Br1 Ag3 67.53(3) . 2_665 ?
Ag4 Br1 Ag3 107.10(4) . 2_665 ?
Ag1 Br1 Ag3 72.90(4) . 2_665 ?
Ag3 Br1 Ag3 111.73(3) 3_565 2_665 ?
Ag3 Br1 Ag3 111.73(3) . 2_665 ?
Se2 Ag1 Se2 119.509(10) . 3_565 ?
Se2 Ag1 Se2 119.509(10) . 2_665 ?
Se2 Ag1 Se2 119.509(10) 3_565 2_665 ?
Se2 Ag1 Br1 94.04(4) . . ?
Se2 Ag1 Br1 94.04(4) 3_565 . ?
Se2 Ag1 Br1 94.04(4) 2_665 . ?
Se1 Ag2 Se3 121.79(5) 2_665 2_665 ?
Se1 Ag2 Se4 115.83(6) 2_665 . ?
Se3 Ag2 Se4 116.19(6) 2_665 . ?
Se1 Ag2 Br1 95.99(5) 2_665 . ?
Se3 Ag2 Br1 100.61(4) 2_665 . ?
Se4 Ag2 Br1 98.34(5) . . ?
Se1 Ag2 Ag3 96.86(4) 2_665 2_665 ?
Se3 Ag2 Ag3 50.85(4) 2_665 2_665 ?
Se4 Ag2 Ag3 142.49(5) . 2_665 ?
Br1 Ag2 Ag3 58.37(3) . 2_665 ?
Se1 Ag2 Ag4 138.25(5) 2_665 . ?
Se3 Ag2 Ag4 95.79(4) 2_665 . ?
Se4 Ag2 Ag4 49.96(4) . . ?
Br1 Ag2 Ag4 56.55(5) . . ?
Ag3 Ag2 Ag4 93.50(4) 2_665 . ?
Se3 Ag3 Se2 123.26(6) . . ?
Se3 Ag3 Se1 118.65(5) . 2_665 ?
Se2 Ag3 Se1 116.46(5) . 2_665 ?
Se3 Ag3 Br1 97.45(5) . . ?
Se2 Ag3 Br1 92.64(5) . . ?
Se1 Ag3 Br1 92.46(4) 2_665 . ?
Se3 Ag3 Ag2 51.50(4) . 3_565 ?
Se2 Ag3 Ag2 95.15(4) . 3_565 ?
Se1 Ag3 Ag2 135.90(5) 2_665 3_565 ?
Br1 Ag3 Ag2 54.09(3) . 3_565 ?
Se4 Ag4 Se4 118.57(2) 3_565 . ?
Se4 Ag4 Se4 118.57(2) 3_565 2_665 ?
Se4 Ag4 Se4 118.57(2) . 2_665 ?
Se4 Ag4 Br1 96.93(5) 3_565 . ?
Se4 Ag4 Br1 96.93(5) . . ?
Se4 Ag4 Br1 96.93(5) 2_665 . ?
Se4 Ag4 Ag2 51.10(4) 3_565 3_565 ?
Se4 Ag4 Ag2 94.70(4) . 3_565 ?
Se4 Ag4 Ag2 139.43(6) 2_665 3_565 ?
Br1 Ag4 Ag2 53.81(3) . 3_565 ?
Se4 Ag4 Ag2 94.70(4) 3_565 2_665 ?
Se4 Ag4 Ag2 139.43(6) . 2_665 ?
Se4 Ag4 Ag2 51.10(4) 2_665 2_665 ?
Br1 Ag4 Ag2 53.81(3) . 2_665 ?
Ag2 Ag4 Ag2 88.68(4) 3_565 2_665 ?
Se4 Ag4 Ag2 139.43(6) 3_565 . ?
Se4 Ag4 Ag2 51.10(4) . . ?
Se4 Ag4 Ag2 94.70(4) 2_665 . ?
Br1 Ag4 Ag2 53.81(3) . . ?
Ag2 Ag4 Ag2 88.68(4) 3_565 . ?
Ag2 Ag4 Ag2 88.68(4) 2_665 . ?
P1 Se1 Ag2 109.56(9) . 3_565 ?
P1 Se1 Ag3 100.48(9) . 3_565 ?
Ag2 Se1 Ag3 82.69(5) 3_565 3_565 ?
P1 Se2 Ag1 97.95(9) . . ?
P1 Se2 Ag3 110.74(9) . . ?
Ag1 Se2 Ag3 85.79(5) . . ?
P2 Se3 Ag3 105.73(11) . . ?
P2 Se3 Ag2 107.00(11) . 3_565 ?
Ag3 Se3 Ag2 77.64(4) . 3_565 ?
P2 Se4 Ag4 107.71(11) . . ?
P2 Se4 Ag2 106.73(11) . . ?
Ag4 Se4 Ag2 78.94(5) . . ?
O4 P1 O3 108.2(5) . . ?
O4 P1 Se2 109.8(4) . . ?
O3 P1 Se2 102.8(4) . . ?
O4 P1 Se1 102.4(4) . . ?
O3 P1 Se1 109.1(4) . . ?
Se2 P1 Se1 123.91(14) . . ?
O1 P2 O2 90.6(11) . . ?
O1 P2 Se4 104.8(8) . . ?
O2 P2 Se4 110.1(6) . . ?
O1 P2 Se3 114.3(7) . . ?
O2 P2 Se3 107.7(5) . . ?
Se4 P2 Se3 124.24(16) . . ?
C3 O1 P2 130.7(17) . . ?
C2 O2 P2 127.4(14) . . ?
C6 O3 P1 124.5(10) . . ?
C7 O4 P1 122.9(9) . . ?
O2 C2 C5 118(2) . . ?
O1 C3 C1 109(2) . . ?
C8 C6 O3 118.4(19) . . ?
O4 C7 C4 109.2(14) . . ?
F1 P3 F1 98(2) 3_565 . ?
F1 P3 F1 98(2) 3_565 2_665 ?
F1 P3 F1 98(2) . 2_665 ?
F1 P3 F2 91(2) 3_565 2_665 ?
F1 P3 F2 83.5(19) . 2_665 ?
F1 P3 F2 171(2) 2_665 2_665 ?
F1 P3 F2 83.5(19) 3_565 . ?
F1 P3 F2 171(2) . . ?
F1 P3 F2 91(2) 2_665 . ?
F2 P3 F2 88(2) 2_665 . ?
F1 P3 F2 171(2) 3_565 3_565 ?
F1 P3 F2 91(2) . 3_565 ?
F1 P3 F2 83.5(19) 2_665 3_565 ?
F2 P3 F2 88(2) 2_665 3_565 ?
F2 P3 F2 88(2) . 3_565 ?

_diffrn_measured_fraction_theta_max 0.982
_diffrn_reflns_theta_full        25.04
_diffrn_measured_fraction_theta_full 0.982
_refine_diff_density_max         0.897
_refine_diff_density_min         -1.451
_refine_diff_density_rms         0.134


#===END

data_2b
_database_code_CSD               202722

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H60 Ag8 Cl2 O12 P6 Se12'
_chemical_formula_weight         2607.92

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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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           Rhombohedral
_symmetry_space_group_name_H-M   R-3

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   21.008(3)
_cell_length_b                   21.008(3)
_cell_length_c                   12.6941(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     4851.8(13)
_cell_formula_units_Z            3
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    34
_cell_measurement_theta_min      5.14
_cell_measurement_theta_max      12.27

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.38
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.678
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3624
_exptl_absorpt_coefficient_mu    9.394
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.7302
_exptl_absorpt_correction_T_max  0.9640
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         3
_diffrn_standards_interval_count 297
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            2366
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_av_sigmaI/netI    0.0571
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.94
_diffrn_reflns_theta_max         25.00
_reflns_number_total             1840
_reflns_number_gt                1101
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker 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^)+(0.0779P)^2^+52.0358P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         1840
_refine_ls_number_parameters     101
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1082
_refine_ls_R_factor_gt           0.0612
_refine_ls_wR_factor_ref         0.1749
_refine_ls_wR_factor_gt          0.1508
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.88133(7) 0.01215(7) 0.07397(9) 0.0928(5) Uani 1 1 d . . .
Ag2 Ag 1.0000 0.0000 0.2864(3) 0.0863(9) Uani 0.75 3 d SP . .
Ag3 Ag 1.0000 0.0000 0.2251(10) 0.105(4) Uani 0.25 3 d SP . .
Cl1 Cl 1.0000 0.0000 0.0000 0.0645(17) Uani 1 6 d S . .
Se1 Se 0.93604(8) 0.07928(9) 0.25034(11) 0.0869(5) Uani 1 1 d . . .
Se2 Se 1.09045(9) 0.21752(8) 0.07878(13) 0.0944(6) Uani 1 1 d . . .
P1 P 1.0204(3) 0.1901(2) 0.2129(3) 0.0911(12) Uani 1 1 d . . .
Cl2 Cl 1.0000 0.0000 0.5000 0.0571(16) Uani 1 6 d S . .
O1 O 1.0695(15) 0.2243(8) 0.3073(12) 0.243(13) Uani 1 1 d . . .
O2 O 0.9851(14) 0.2380(11) 0.2125(15) 0.214(10) Uani 1 1 d . . .
C1 C 1.0898(13) 0.2080(13) 0.389(3) 0.179(11) Uani 1 1 d . . .
H1A H 1.1101 0.1778 0.3661 0.215 Uiso 1 1 calc R . .
H1B H 1.0445 0.1748 0.4257 0.215 Uiso 1 1 calc R . .
C2 C 1.1369(15) 0.2516(13) 0.4686(17) 0.198(13) Uani 1 1 d . . .
H2A H 1.1367 0.2210 0.5249 0.297 Uiso 1 1 calc R . .
H2B H 1.1209 0.2842 0.4947 0.297 Uiso 1 1 calc R . .
H2C H 1.1858 0.2799 0.4409 0.297 Uiso 1 1 calc R . .
C3 C 0.956(2) 0.260(2) 0.157(3) 0.243(18) Uani 1 1 d . . .
H3A H 0.9061 0.2221 0.1692 0.291 Uiso 1 1 calc R . .
H3B H 0.9690 0.2468 0.0905 0.291 Uiso 1 1 calc R . .
C4 C 0.9432(16) 0.3079(15) 0.123(3) 0.227(16) Uani 1 1 d . . .
H4A H 0.9150 0.2905 0.0589 0.340 Uiso 1 1 calc R . .
H4B H 0.9886 0.3522 0.1081 0.340 Uiso 1 1 calc R . .
H4C H 0.9158 0.3178 0.1741 0.340 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 0.0943(8) 0.0949(8) 0.0906(9) -0.0045(6) 0.0071(6) 0.0483(7)
Ag2 0.0894(14) 0.0894(14) 0.080(2) 0.000 0.000 0.0447(7)
Ag3 0.113(5) 0.113(5) 0.088(7) 0.000 0.000 0.056(3)
Cl1 0.060(2) 0.060(2) 0.074(5) 0.000 0.000 0.0300(12)
Se1 0.0924(10) 0.1036(11) 0.0730(9) -0.0028(8) 0.0076(7) 0.0551(9)
Se2 0.0935(11) 0.0669(9) 0.1116(12) -0.0085(8) 0.0024(9) 0.0316(8)
P1 0.139(4) 0.082(2) 0.070(2) -0.0113(19) -0.014(2) 0.069(3)
Cl2 0.074(3) 0.074(3) 0.023(3) 0.000 0.000 0.0372(13)
O1 0.37(3) 0.105(10) 0.121(12) -0.010(8) -0.116(16) 0.015(13)
O2 0.34(3) 0.204(17) 0.209(18) 0.108(15) 0.137(18) 0.22(2)
C1 0.140(19) 0.130(19) 0.23(3) 0.00(2) -0.07(2) 0.043(15)
C2 0.23(3) 0.127(18) 0.115(17) 0.002(14) -0.025(18) -0.003(18)
C3 0.34(5) 0.30(4) 0.23(4) -0.05(3) -0.06(3) 0.27(4)
C4 0.25(3) 0.23(3) 0.30(4) 0.11(3) 0.10(3) 0.20(3)

_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 Se1 2.5887(19) . ?
Ag1 Se2 2.605(2) 12_545 ?
Ag1 Se2 2.607(2) 2_645 ?
Ag1 Cl1 2.7925(12) . ?
Ag1 Ag1 3.2316(17) 12_545 ?
Ag1 Ag1 3.2316(17) 11_665 ?
Ag1 Ag3 3.255(7) . ?
Ag2 Ag3 0.779(10) . ?
Ag2 Se1 2.6508(17) 3_765 ?
Ag2 Se1 2.6508(17) 2_645 ?
Ag2 Se1 2.6508(17) . ?
Ag2 Cl2 2.711(4) . ?
Ag3 Se1 2.631(2) 3_765 ?
Ag3 Se1 2.631(2) . ?
Ag3 Se1 2.631(2) 2_645 ?
Ag3 Cl1 2.857(12) . ?
Ag3 Ag1 3.255(7) 2_645 ?
Ag3 Ag1 3.255(7) 3_765 ?
Cl1 Ag1 2.7925(12) 3_765 ?
Cl1 Ag1 2.7925(12) 2_645 ?
Cl1 Ag1 2.7925(12) 12_545 ?
Cl1 Ag1 2.7925(12) 10_755 ?
Cl1 Ag1 2.7925(12) 11_665 ?
Cl1 Ag3 2.857(12) 10_755 ?
Se1 P1 2.158(5) . ?
Se2 P1 2.133(5) . ?
Se2 Ag1 2.605(2) 11_665 ?
Se2 Ag1 2.607(2) 3_765 ?
P1 O1 1.509(16) . ?
P1 O2 1.521(15) . ?
Cl2 Ag2 2.711(4) 10_756 ?
O1 C1 1.24(2) . ?
O2 C3 1.17(3) . ?
C1 C2 1.39(3) . ?
C3 C4 1.24(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Se1 Ag1 Se2 116.84(7) . 12_545 ?
Se1 Ag1 Se2 118.59(7) . 2_645 ?
Se2 Ag1 Se2 117.28(6) 12_545 2_645 ?
Se1 Ag1 Cl1 99.62(5) . . ?
Se2 Ag1 Cl1 98.79(5) 12_545 . ?
Se2 Ag1 Cl1 98.75(5) 2_645 . ?
Se1 Ag1 Ag1 142.25(6) . 12_545 ?
Se2 Ag1 Ag1 95.91(7) 12_545 12_545 ?
Se2 Ag1 Ag1 51.66(5) 2_645 12_545 ?
Cl1 Ag1 Ag1 54.646(13) . 12_545 ?
Se1 Ag1 Ag1 96.18(5) . 11_665 ?
Se2 Ag1 Ag1 51.71(5) 12_545 11_665 ?
Se2 Ag1 Ag1 140.55(7) 2_645 11_665 ?
Cl1 Ag1 Ag1 54.646(13) . 11_665 ?
Ag1 Ag1 Ag1 89.62(5) 12_545 11_665 ?
Se1 Ag1 Ag3 51.99(14) . . ?
Se2 Ag1 Ag3 141.67(11) 12_545 . ?
Se2 Ag1 Ag3 96.31(5) 2_645 . ?
Cl1 Ag1 Ag3 55.76(18) . . ?
Ag1 Ag1 Ag3 90.79(13) 12_545 . ?
Ag1 Ag1 Ag3 90.79(13) 11_665 . ?
Ag3 Ag2 Se1 80.05(9) . 3_765 ?
Ag3 Ag2 Se1 80.05(8) . 2_645 ?
Se1 Ag2 Se1 117.08(5) 3_765 2_645 ?
Ag3 Ag2 Se1 80.05(8) . . ?
Se1 Ag2 Se1 117.08(5) 3_765 . ?
Se1 Ag2 Se1 117.08(5) 2_645 . ?
Ag3 Ag2 Cl2 180.000(1) . . ?
Se1 Ag2 Cl2 99.95(8) 3_765 . ?
Se1 Ag2 Cl2 99.95(8) 2_645 . ?
Se1 Ag2 Cl2 99.95(8) . . ?
Ag2 Ag3 Se1 83.0(3) . 3_765 ?
Ag2 Ag3 Se1 83.0(3) . . ?
Se1 Ag3 Se1 118.54(11) 3_765 . ?
Ag2 Ag3 Se1 83.0(3) . 2_645 ?
Se1 Ag3 Se1 118.54(11) 3_765 2_645 ?
Se1 Ag3 Se1 118.54(11) . 2_645 ?
Ag2 Ag3 Cl1 180.000(1) . . ?
Se1 Ag3 Cl1 97.0(3) 3_765 . ?
Se1 Ag3 Cl1 97.0(3) . . ?
Se1 Ag3 Cl1 97.0(3) 2_645 . ?
Ag2 Ag3 Ag1 126.11(18) . 2_645 ?
Se1 Ag3 Ag1 95.15(15) 3_765 2_645 ?
Se1 Ag3 Ag1 139.2(3) . 2_645 ?
Se1 Ag3 Ag1 50.84(10) 2_645 2_645 ?
Cl1 Ag3 Ag1 53.89(18) . 2_645 ?
Ag2 Ag3 Ag1 126.11(18) . . ?
Se1 Ag3 Ag1 139.2(3) 3_765 . ?
Se1 Ag3 Ag1 50.84(10) . . ?
Se1 Ag3 Ag1 95.15(15) 2_645 . ?
Cl1 Ag3 Ag1 53.89(18) . . ?
Ag1 Ag3 Ag1 88.8(3) 2_645 . ?
Ag2 Ag3 Ag1 126.11(18) . 3_765 ?
Se1 Ag3 Ag1 50.84(10) 3_765 3_765 ?
Se1 Ag3 Ag1 95.15(15) . 3_765 ?
Se1 Ag3 Ag1 139.2(3) 2_645 3_765 ?
Cl1 Ag3 Ag1 53.89(18) . 3_765 ?
Ag1 Ag3 Ag1 88.8(3) 2_645 3_765 ?
Ag1 Ag3 Ag1 88.8(3) . 3_765 ?
Ag1 Cl1 Ag1 109.29(3) 3_765 2_645 ?
Ag1 Cl1 Ag1 180.00(7) 3_765 12_545 ?
Ag1 Cl1 Ag1 70.71(3) 2_645 12_545 ?
Ag1 Cl1 Ag1 70.71(3) 3_765 10_755 ?
Ag1 Cl1 Ag1 70.71(3) 2_645 10_755 ?
Ag1 Cl1 Ag1 109.29(3) 12_545 10_755 ?
Ag1 Cl1 Ag1 109.29(3) 3_765 . ?
Ag1 Cl1 Ag1 109.29(3) 2_645 . ?
Ag1 Cl1 Ag1 70.71(3) 12_545 . ?
Ag1 Cl1 Ag1 180.00(6) 10_755 . ?
Ag1 Cl1 Ag1 70.71(3) 3_765 11_665 ?
Ag1 Cl1 Ag1 180.00(5) 2_645 11_665 ?
Ag1 Cl1 Ag1 109.29(3) 12_545 11_665 ?
Ag1 Cl1 Ag1 109.29(3) 10_755 11_665 ?
Ag1 Cl1 Ag1 70.71(3) . 11_665 ?
Ag1 Cl1 Ag3 109.65(3) 3_765 10_755 ?
Ag1 Cl1 Ag3 109.65(3) 2_645 10_755 ?
Ag1 Cl1 Ag3 70.35(3) 12_545 10_755 ?
Ag1 Cl1 Ag3 70.35(3) 10_755 10_755 ?
Ag1 Cl1 Ag3 109.65(3) . 10_755 ?
Ag1 Cl1 Ag3 70.35(3) 11_665 10_755 ?
Ag1 Cl1 Ag3 70.35(3) 3_765 . ?
Ag1 Cl1 Ag3 70.35(3) 2_645 . ?
Ag1 Cl1 Ag3 109.65(3) 12_545 . ?
Ag1 Cl1 Ag3 109.65(3) 10_755 . ?
Ag1 Cl1 Ag3 70.35(3) . . ?
Ag1 Cl1 Ag3 109.65(3) 11_665 . ?
Ag3 Cl1 Ag3 180.0 10_755 . ?
P1 Se1 Ag1 107.38(11) . . ?
P1 Se1 Ag3 104.60(14) . . ?
Ag1 Se1 Ag3 77.2(2) . . ?
P1 Se1 Ag2 108.35(12) . . ?
Ag1 Se1 Ag2 91.93(9) . . ?
Ag3 Se1 Ag2 17.0(2) . . ?
P1 Se2 Ag1 107.22(13) . 11_665 ?
P1 Se2 Ag1 104.98(12) . 3_765 ?
Ag1 Se2 Ag1 76.63(6) 11_665 3_765 ?
O1 P1 O2 97.5(15) . . ?
O1 P1 Se2 106.8(10) . . ?
O2 P1 Se2 108.5(6) . . ?
O1 P1 Se1 109.7(6) . . ?
O2 P1 Se1 107.8(9) . . ?
Se2 P1 Se1 123.42(17) . . ?
Ag2 Cl2 Ag2 180.0 . 10_756 ?
C1 O1 P1 141.6(17) . . ?
C3 O2 P1 142(2) . . ?
O1 C1 C2 131(2) . . ?
O2 C3 C4 155(4) . . ?

_diffrn_measured_fraction_theta_max 0.967
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.967
_refine_diff_density_max         1.248
_refine_diff_density_min         -0.630
_refine_diff_density_rms         0.142