# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2003

data_global

_journal_coden_Cambridge         440

loop_
_publ_author_name
'Gianfranco Ciani'
'Lucia Carlucci'
'D. M. Proserpio'
'Silvia Rizzato'

_publ_contact_author_name        'Prof Gianfranco Ciani'
_publ_contact_author_address     
;
DCSSI     
University of Milano
via venezian 21
Milano
20133
ITALY
;

_publ_contact_author_email       DAVIDE@CSMTBO.MI.CNR.IT

_publ_requested_journal          'New Journal of Chemistry'

_publ_section_title              
;
Silver(I) polymeric coordination frameworks
assembled with the new multimodal ligand 2,2'-azobispyrazine.
;

data_compound_1
_database_code_CSD               199929

_diffrn_measurement_domega       0.30
_diffrn_measurement_rtime        20

_chemical_formula_sum            'C16 H12 Ag Cl N12 O4'
_chemical_formula_weight         579.70

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'
Cl Cl 0.1484 0.1585 '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   P21/c
_symmetry_Int_Tables_number      14

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                   11.8840(10)
_cell_length_b                   9.5010(10)
_cell_length_c                   19.445(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.11(2)
_cell_angle_gamma                90.00
_cell_volume                     2119.6(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5343
_cell_measurement_theta_min      3.
_cell_measurement_theta_max      24.

_exptl_crystal_description       column
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.26
_exptl_crystal_density_diffrn    1.817
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1152
_exptl_absorpt_coefficient_mu    1.131
_exptl_absorpt_correction_type   sadabs
_exptl_absorpt_correction_T_min  0.623
_exptl_absorpt_correction_T_max  1.00

_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       SMART
_diffrn_detector_type            CCD_plate
_diffrn_measurement_method       omega-scan
_diffrn_standards_decay_%        0
_diffrn_reflns_number            11555
_diffrn_reflns_av_R_equivalents  0.0359
_diffrn_reflns_av_sigmaI/netI    0.0338
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.77
_diffrn_reflns_theta_max         23.27
_reflns_number_total             3045
_reflns_number_observed          2535
_reflns_observed_criterion       >2sigma(I)

_computing_structure_solution    SIR92
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SCHAKAL

_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^)+(0.0270P)^2^+0.0000P] 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_number_reflns         3045
_refine_ls_number_parameters     307
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_obs          0.0226
_refine_ls_wR_factor_all         0.0531
_refine_ls_wR_factor_obs         0.0523
_refine_ls_goodness_of_fit_all   0.925
_refine_ls_restrained_S_all      0.930
_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
Ag Ag 0.120844(19) 0.15829(2) 0.119706(10) 0.04506(9) Uani 1 1 d . . .
N1 N 0.08731(19) 0.1420(2) -0.05044(11) 0.0394(5) Uani 1 1 d . . .
N2 N 0.15365(19) 0.1017(2) 0.00700(11) 0.0389(5) Uani 1 1 d . . .
C11 C 0.0011(2) 0.2410(3) -0.04164(13) 0.0357(6) Uani 1 1 d . . .
N12 N -0.02504(19) 0.2528(2) 0.02060(11) 0.0406(5) Uani 1 1 d . . .
C13 C -0.1091(3) 0.3455(3) 0.02231(15) 0.0498(7) Uani 1 1 d . . .
H13 H -0.1312 0.3574 0.0644 0.060 Uiso 1 1 calc R . .
C14 C -0.1640(3) 0.4242(3) -0.03688(16) 0.0555(8) Uani 1 1 d . . .
H14 H -0.2220 0.4872 -0.0331 0.067 Uiso 1 1 calc R . .
N15 N -0.1372(2) 0.4130(3) -0.09889(13) 0.0547(7) Uani 1 1 d . . .
C16 C -0.0530(3) 0.3204(3) -0.10014(14) 0.0463(7) Uani 1 1 d . . .
H16 H -0.0302 0.3092 -0.1421 0.056 Uiso 1 1 calc R . .
C21 C 0.2424(2) 0.0054(3) -0.00070(14) 0.0380(6) Uani 1 1 d . . .
N22 N 0.2942(2) -0.0605(3) 0.05969(12) 0.0508(6) Uani 1 1 d . . .
C23 C 0.3779(3) -0.1507(3) 0.05517(17) 0.0580(8) Uani 1 1 d . . .
H23 H 0.4170 -0.2000 0.0957 0.070 Uiso 1 1 calc R . .
C24 C 0.4084(3) -0.1731(3) -0.00798(18) 0.0582(8) Uani 1 1 d . . .
H24 H 0.4661 -0.2389 -0.0086 0.070 Uiso 1 1 calc R . .
N25 N 0.3586(2) -0.1045(3) -0.06783(13) 0.0542(6) Uani 1 1 d . . .
C26 C 0.2751(2) -0.0143(3) -0.06339(14) 0.0467(7) Uani 1 1 d . . .
H26 H 0.2376 0.0370 -0.1036 0.056 Uiso 1 1 calc R . .
N3 N -0.10138(19) -0.1636(2) 0.28759(11) 0.0357(5) Uani 1 1 d . . .
N4 N -0.18884(19) -0.1007(2) 0.25095(11) 0.0404(5) Uani 1 1 d . . .
C31 C 0.0025(2) -0.1393(3) 0.26508(13) 0.0325(6) Uani 1 1 d . . .
N32 N 0.09138(18) -0.2212(2) 0.29755(11) 0.0386(5) Uani 1 1 d . . .
C33 C 0.1904(2) -0.2018(3) 0.27882(15) 0.0432(7) Uani 1 1 d . . .
H33 H 0.2548 -0.2570 0.2999 0.052 Uiso 1 1 calc R . .
C34 C 0.2006(2) -0.1015(3) 0.22862(14) 0.0425(7) Uani 1 1 d . . .
H34 H 0.2713 -0.0918 0.2170 0.051 Uiso 1 1 calc R . .
N35 N 0.11145(18) -0.0191(2) 0.19687(11) 0.0369(5) Uani 1 1 d . . .
C36 C 0.0118(2) -0.0378(3) 0.21565(13) 0.0354(6) Uani 1 1 d . . .
H36 H -0.0523 0.0182 0.1952 0.043 Uiso 1 1 calc R . .
C41 C -0.2921(2) -0.1216(3) 0.27431(14) 0.0395(7) Uani 1 1 d . . .
N42 N -0.29148(19) -0.2028(2) 0.33034(12) 0.0448(6) Uani 1 1 d . . .
C43 C -0.3904(3) -0.2075(4) 0.34976(16) 0.0587(9) Uani 1 1 d . . .
H43 H -0.3947 -0.2624 0.3886 0.070 Uiso 1 1 calc R . .
C44 C -0.4869(3) -0.1327(4) 0.31371(19) 0.0748(11) Uani 1 1 d . . .
H44 H -0.5531 -0.1354 0.3307 0.090 Uiso 1 1 calc R . .
N45 N -0.4903(2) -0.0569(4) 0.25579(15) 0.0776(9) Uani 1 1 d . . .
C46 C -0.3906(3) -0.0527(3) 0.23642(16) 0.0575(8) Uani 1 1 d . . .
H46 H -0.3876 -0.0017 0.1961 0.069 Uiso 1 1 calc R . .
Cl Cl -0.30321(7) -0.39108(8) 0.09841(4) 0.0528(2) Uani 1 1 d D . .
O1 O -0.3173(2) -0.3241(2) 0.03083(12) 0.0795(7) Uani 1 1 d D . .
O2 O -0.1832(2) -0.3829(3) 0.13750(15) 0.1016(9) Uani 1 1 d D . .
O3 O -0.3315(2) -0.5361(2) 0.08708(13) 0.0859(8) Uani 1 1 d D . .
O4 O -0.3741(3) -0.3272(3) 0.13631(16) 0.1126(11) Uani 1 1 d 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
Ag 0.05022(15) 0.05316(15) 0.03297(13) 0.00431(10) 0.01296(10) -0.00248(11)
N1 0.0410(13) 0.0434(13) 0.0341(13) -0.0017(11) 0.0103(11) 0.0028(11)
N2 0.0409(13) 0.0423(13) 0.0350(13) 0.0031(10) 0.0126(11) 0.0035(11)
C11 0.0372(16) 0.0366(15) 0.0324(15) -0.0030(12) 0.0073(12) -0.0015(13)
N12 0.0426(14) 0.0472(14) 0.0337(13) 0.0005(10) 0.0129(11) 0.0053(12)
C13 0.0506(18) 0.0606(19) 0.0422(17) -0.0025(15) 0.0193(14) 0.0108(16)
C14 0.055(2) 0.058(2) 0.054(2) 0.0016(16) 0.0147(16) 0.0194(16)
N15 0.0640(17) 0.0551(15) 0.0450(15) 0.0082(12) 0.0143(13) 0.0202(14)
C16 0.0554(19) 0.0514(18) 0.0332(15) 0.0010(14) 0.0135(14) 0.0078(16)
C21 0.0370(16) 0.0394(15) 0.0374(16) -0.0017(12) 0.0095(13) 0.0011(13)
N22 0.0527(16) 0.0587(16) 0.0403(14) 0.0035(12) 0.0112(12) 0.0127(13)
C23 0.053(2) 0.064(2) 0.0520(19) 0.0083(16) 0.0052(15) 0.0167(17)
C24 0.0473(19) 0.056(2) 0.071(2) -0.0074(17) 0.0152(17) 0.0128(16)
N25 0.0527(16) 0.0603(16) 0.0528(16) -0.0023(13) 0.0195(13) 0.0122(14)
C26 0.0486(18) 0.0515(18) 0.0408(17) 0.0018(14) 0.0133(14) 0.0075(15)
N3 0.0326(13) 0.0414(12) 0.0347(12) -0.0017(10) 0.0117(10) -0.0018(11)
N4 0.0349(14) 0.0484(13) 0.0400(13) 0.0007(11) 0.0134(11) -0.0002(11)
C31 0.0325(15) 0.0355(14) 0.0311(14) -0.0037(11) 0.0113(12) -0.0029(12)
N32 0.0347(14) 0.0418(13) 0.0396(13) 0.0055(11) 0.0102(11) 0.0007(11)
C33 0.0323(16) 0.0466(16) 0.0495(17) 0.0078(14) 0.0085(13) 0.0059(13)
C34 0.0340(16) 0.0505(17) 0.0459(17) 0.0039(14) 0.0157(13) 0.0001(14)
N35 0.0339(13) 0.0430(13) 0.0364(12) 0.0033(10) 0.0138(10) 0.0001(11)
C36 0.0339(16) 0.0371(14) 0.0361(15) 0.0017(12) 0.0105(12) 0.0045(13)
C41 0.0337(16) 0.0491(17) 0.0377(16) -0.0036(13) 0.0128(13) 0.0000(13)
N42 0.0353(14) 0.0585(15) 0.0438(14) 0.0026(12) 0.0159(11) 0.0012(11)
C43 0.0411(19) 0.090(2) 0.0516(19) 0.0070(17) 0.0239(16) -0.0013(17)
C44 0.037(2) 0.128(3) 0.067(2) 0.006(2) 0.0262(17) 0.010(2)
N45 0.0406(17) 0.125(3) 0.070(2) 0.0204(19) 0.0203(15) 0.0230(17)
C46 0.046(2) 0.080(2) 0.0483(18) 0.0106(17) 0.0153(15) 0.0114(17)
Cl 0.0534(5) 0.0486(4) 0.0599(5) 0.0025(4) 0.0211(4) 0.0048(4)
O1 0.0889(18) 0.0782(17) 0.0715(16) 0.0264(13) 0.0211(14) 0.0048(14)
O2 0.0619(18) 0.124(2) 0.104(2) 0.0267(18) -0.0037(15) -0.0124(16)
O3 0.110(2) 0.0548(14) 0.102(2) -0.0034(14) 0.0438(17) -0.0125(14)
O4 0.132(3) 0.113(2) 0.114(2) -0.0157(18) 0.070(2) 0.041(2)

_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
Ag N35 2.278(2) . ?
Ag N2 2.385(2) . ?
Ag N42 2.402(2) 2 ?
Ag N12 2.405(2) . ?
Ag N3 2.526(2) 2 ?
N1 N2 1.248(3) . ?
N1 C11 1.433(3) . ?
N2 C21 1.434(3) . ?
C11 N12 1.331(3) . ?
C11 C16 1.377(4) . ?
N12 C13 1.338(3) . ?
C13 C14 1.385(4) . ?
C13 H13 0.9300 . ?
C14 N15 1.330(4) . ?
C14 H14 0.9300 . ?
N15 C16 1.337(4) . ?
C16 H16 0.9300 . ?
C21 N22 1.332(3) . ?
C21 C26 1.385(4) . ?
N22 C23 1.333(4) . ?
C23 C24 1.384(4) . ?
C23 H23 0.9300 . ?
C24 N25 1.331(4) . ?
C24 H24 0.9300 . ?
N25 C26 1.330(3) . ?
C26 H26 0.9300 . ?
N3 N4 1.249(3) . ?
N3 C31 1.432(3) . ?
N3 Ag 2.526(2) 2_545 ?
N4 C41 1.429(3) . ?
C31 N32 1.331(3) . ?
C31 C36 1.386(3) . ?
N32 C33 1.333(3) . ?
C33 C34 1.392(4) . ?
C33 H33 0.9300 . ?
C34 N35 1.333(3) . ?
C34 H34 0.9300 . ?
N35 C36 1.339(3) . ?
C36 H36 0.9300 . ?
C41 N42 1.334(3) . ?
C41 C46 1.375(4) . ?
N42 C43 1.326(3) . ?
N42 Ag 2.402(2) 2_545 ?
C43 C44 1.375(4) . ?
C43 H43 0.9300 . ?
C44 N45 1.329(4) . ?
C44 H44 0.9300 . ?
N45 C46 1.335(4) . ?
C46 H46 0.9300 . ?
Cl O4 1.395(2) . ?
Cl O3 1.422(2) . ?
Cl O1 1.430(2) . ?
Cl O2 1.432(2) . ?

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
N35 Ag N2 119.09(7) . . ?
N35 Ag N42 108.73(8) . 2 ?
N2 Ag N42 99.93(8) . 2 ?
N35 Ag N12 130.92(7) . . ?
N2 Ag N12 66.69(7) . . ?
N42 Ag N12 118.37(8) 2 . ?
N35 Ag N3 89.78(7) . 2 ?
N2 Ag N3 150.91(7) . 2 ?
N42 Ag N3 64.42(7) 2 2 ?
N12 Ag N3 98.09(7) . 2 ?
N2 N1 C11 113.5(2) . . ?
N1 N2 C21 114.4(2) . . ?
N1 N2 Ag 122.46(17) . . ?
C21 N2 Ag 122.75(16) . . ?
N12 C11 C16 122.4(2) . . ?
N12 C11 N1 120.5(2) . . ?
C16 C11 N1 117.1(2) . . ?
C11 N12 C13 115.5(2) . . ?
C11 N12 Ag 114.00(17) . . ?
C13 N12 Ag 127.77(17) . . ?
N12 C13 C14 121.9(3) . . ?
N12 C13 H13 119.1 . . ?
C14 C13 H13 119.1 . . ?
N15 C14 C13 122.5(3) . . ?
N15 C14 H14 118.7 . . ?
C13 C14 H14 118.7 . . ?
C14 N15 C16 115.3(2) . . ?
N15 C16 C11 122.4(3) . . ?
N15 C16 H16 118.8 . . ?
C11 C16 H16 118.8 . . ?
N22 C21 C26 122.8(2) . . ?
N22 C21 N2 113.0(2) . . ?
C26 C21 N2 124.1(2) . . ?
C21 N22 C23 115.2(2) . . ?
N22 C23 C24 122.0(3) . . ?
N22 C23 H23 119.0 . . ?
C24 C23 H23 119.0 . . ?
N25 C24 C23 122.7(3) . . ?
N25 C24 H24 118.6 . . ?
C23 C24 H24 118.6 . . ?
C26 N25 C24 115.3(3) . . ?
N25 C26 C21 121.9(3) . . ?
N25 C26 H26 119.0 . . ?
C21 C26 H26 119.0 . . ?
N4 N3 C31 113.8(2) . . ?
N4 N3 Ag 120.70(16) . 2_545 ?
C31 N3 Ag 124.93(16) . 2_545 ?
N3 N4 C41 114.1(2) . . ?
N32 C31 C36 122.6(2) . . ?
N32 C31 N3 113.7(2) . . ?
C36 C31 N3 123.7(2) . . ?
C31 N32 C33 115.9(2) . . ?
N32 C33 C34 122.1(2) . . ?
N32 C33 H33 119.0 . . ?
C34 C33 H33 119.0 . . ?
N35 C34 C33 121.6(2) . . ?
N35 C34 H34 119.2 . . ?
C33 C34 H34 119.2 . . ?
C34 N35 C36 116.6(2) . . ?
C34 N35 Ag 124.78(17) . . ?
C36 N35 Ag 118.47(17) . . ?
N35 C36 C31 121.2(2) . . ?
N35 C36 H36 119.4 . . ?
C31 C36 H36 119.4 . . ?
N42 C41 C46 122.4(2) . . ?
N42 C41 N4 121.2(2) . . ?
C46 C41 N4 116.4(2) . . ?
C43 N42 C41 115.8(2) . . ?
C43 N42 Ag 125.8(2) . 2_545 ?
C41 N42 Ag 118.18(16) . 2_545 ?
N42 C43 C44 121.4(3) . . ?
N42 C43 H43 119.3 . . ?
C44 C43 H43 119.3 . . ?
N45 C44 C43 123.3(3) . . ?
N45 C44 H44 118.3 . . ?
C43 C44 H44 118.3 . . ?
C44 N45 C46 115.0(3) . . ?
N45 C46 C41 121.9(3) . . ?
N45 C46 H46 119.0 . . ?
C41 C46 H46 119.0 . . ?
O4 Cl O3 110.67(18) . . ?
O4 Cl O1 110.45(17) . . ?
O3 Cl O1 108.83(15) . . ?
O4 Cl O2 110.5(2) . . ?
O3 Cl O2 107.28(17) . . ?
O1 Cl O2 109.00(16) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        23.27
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.313
_refine_diff_density_min         -0.236
_refine_diff_density_rms         0.055

data_compound_2
_database_code_CSD               199930

_exptl_absorpt_correction_nazim  3
_diffrn_measurement_domega       1.0+0.35tg(theta)
_diffrn_measurement_rtime        60

_chemical_formula_sum            'C16.50 H13 Ag Cl F6 N12 Sb'
_chemical_formula_weight         758.46

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'
F F 0.0171 0.0103 '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'
Sb Sb -0.5866 1.5461 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/n
_symmetry_Int_Tables_number      14

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

_cell_length_a                   14.944(2)
_cell_length_b                   12.364(2)
_cell_length_c                   15.211(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 118.50(2)
_cell_angle_gamma                90.00
_cell_volume                     2469.9(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    25
_cell_measurement_theta_min      8
_cell_measurement_theta_max      12

_exptl_crystal_description       column
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_exptl_crystal_density_diffrn    2.040
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1460
_exptl_absorpt_coefficient_mu    2.073
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.95
_exptl_absorpt_correction_T_max  1.00

_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       CAD4
_diffrn_measurement_method       omega-scan
_diffrn_standards_number         3
_diffrn_standards_interval_time  2h
_diffrn_standards_decay_%        2
_diffrn_reflns_number            4523
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0572
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         24.98
_reflns_number_total             4344
_reflns_number_observed          2687
_reflns_observed_criterion       >2sigma(I)

_computing_structure_solution    SIR92
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SCHAKAL

_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^)+(0.0412P)^2^+2.0697P] 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_number_reflns         4344
_refine_ls_number_parameters     407
_refine_ls_number_restraints     394
_refine_ls_R_factor_all          0.1114
_refine_ls_R_factor_obs          0.0460
_refine_ls_wR_factor_all         0.1125
_refine_ls_wR_factor_obs         0.1008
_refine_ls_goodness_of_fit_all   1.258
_refine_ls_restrained_S_all      1.412
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.002

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
Sb Sb 0.65511(5) 0.63205(6) 0.41864(5) 0.0772(2) Uani 1 1 d D . .
F11 F 0.6807(9) 0.6902(10) 0.3223(8) 0.163(7) Uani 0.532(11) 1 d PDU A 1
F12 F 0.7920(6) 0.6033(11) 0.4921(7) 0.154(6) Uani 0.532(11) 1 d PDU A 1
F13 F 0.6346(10) 0.5740(10) 0.5168(8) 0.162(7) Uani 0.532(11) 1 d PDU A 1
F14 F 0.5227(5) 0.6664(10) 0.3467(8) 0.139(6) Uani 0.532(11) 1 d PDU A 1
F15 F 0.6354(9) 0.5016(7) 0.3583(9) 0.151(6) Uani 0.532(11) 1 d PDU A 1
F16 F 0.6793(10) 0.7642(8) 0.4802(10) 0.203(9) Uani 0.532(11) 1 d PDU A 1
F21 F 0.7240(9) 0.5084(8) 0.4773(9) 0.122(6) Uani 0.468(11) 1 d PDU A 2
F22 F 0.6892(10) 0.6895(11) 0.5407(6) 0.121(6) Uani 0.468(11) 1 d PDU A 2
F23 F 0.5412(9) 0.5757(11) 0.4178(13) 0.169(8) Uani 0.468(11) 1 d PDU A 2
F24 F 0.5848(11) 0.7546(9) 0.3599(10) 0.243(12) Uani 0.468(11) 1 d PDU A 2
F25 F 0.6155(10) 0.5737(12) 0.2961(7) 0.178(9) Uani 0.468(11) 1 d PDU A 2
F26 F 0.7683(8) 0.6864(10) 0.4222(11) 0.169(8) Uani 0.468(11) 1 d PDU A 2
Ag Ag 0.88927(4) 0.28086(5) 0.68906(4) 0.05101(19) Uani 1 1 d . . .
N1 N 0.8605(4) 0.4676(5) 0.7202(4) 0.0496(15) Uani 1 1 d . . .
C11 C 0.7860(5) 0.4840(7) 0.7521(5) 0.0449(18) Uani 1 1 d . . .
N12 N 0.7551(5) 0.3939(5) 0.7750(5) 0.0533(16) Uani 1 1 d . . .
C13 C 0.6856(6) 0.4059(7) 0.8046(6) 0.061(2) Uani 1 1 d . . .
H13 H 0.6631 0.3452 0.8245 0.074 Uiso 1 1 calc R . .
C14 C 0.6463(6) 0.5040(8) 0.8067(6) 0.062(2) Uani 1 1 d . . .
H14 H 0.5955 0.5069 0.8255 0.074 Uiso 1 1 calc R . .
N15 N 0.6755(4) 0.5955(6) 0.7837(5) 0.0541(17) Uani 1 1 d . . .
C16 C 0.7472(5) 0.5852(7) 0.7566(6) 0.0513(19) Uani 1 1 d . . .
H16 H 0.7720 0.6466 0.7403 0.062 Uiso 1 1 calc R . .
N2 N 0.9001(5) 0.5527(5) 0.7138(5) 0.0510(16) Uani 1 1 d . . .
N21 N 1.0048(5) 0.4432(6) 0.6671(5) 0.0634(19) Uani 1 1 d . . .
C22 C 0.9759(5) 0.5378(7) 0.6813(5) 0.0489(18) Uani 1 1 d . . .
C23 C 1.0146(8) 0.6309(7) 0.6651(8) 0.081(3) Uani 1 1 d . . .
H23 H 0.9914 0.6967 0.6759 0.097 Uiso 1 1 calc R . .
N24 N 1.0851(7) 0.6313(7) 0.6342(8) 0.094(3) Uani 1 1 d . . .
C25 C 1.1137(7) 0.5372(8) 0.6196(7) 0.072(2) Uani 1 1 d . . .
H25 H 1.1620 0.5330 0.5977 0.086 Uiso 1 1 calc R . .
C26 C 1.0741(7) 0.4428(8) 0.6360(7) 0.073(3) Uani 1 1 d . . .
H26 H 1.0968 0.3768 0.6247 0.087 Uiso 1 1 calc R . .
N3 N 0.8812(5) 0.2072(5) 0.5361(5) 0.0541(16) Uani 1 1 d . . .
C31 C 0.9708(6) 0.1661(6) 0.5390(7) 0.0503(19) Uani 1 1 d . . .
C32 C 0.9800(6) 0.1348(6) 0.4546(6) 0.056(2) Uani 1 1 d . . .
H32 H 0.9234 0.1378 0.3914 0.067 Uiso 1 1 calc R . .
N33 N 1.0675(6) 0.1014(6) 0.4639(6) 0.070(2) Uani 1 1 d . . .
C34 C 1.1437(8) 0.0983(8) 0.5553(10) 0.085(3) Uani 1 1 d . . .
H34 H 1.2066 0.0744 0.5645 0.102 Uiso 1 1 calc R . .
C35 C 1.1356(7) 0.1285(8) 0.6376(9) 0.084(3) Uani 1 1 d . . .
H35 H 1.1926 0.1238 0.7004 0.101 Uiso 1 1 calc R . .
N36 N 1.0495(6) 0.1641(6) 0.6306(5) 0.070(2) Uani 1 1 d . . .
N4 N 0.8056(4) 0.1938(5) 0.4548(5) 0.0520(16) Uani 1 1 d . . .
C41 C 0.7122(5) 0.2365(6) 0.4521(6) 0.0483(18) Uani 1 1 d . . .
N42 N 0.7112(5) 0.2752(6) 0.5320(5) 0.0573(17) Uani 1 1 d . . .
C43 C 0.6216(7) 0.3090(8) 0.5182(6) 0.070(2) Uani 1 1 d . . .
H43 H 0.6171 0.3397 0.5718 0.084 Uiso 1 1 calc R . .
C44 C 0.5339(6) 0.3005(7) 0.4266(6) 0.064(2) Uani 1 1 d . . .
H44 H 0.4723 0.3235 0.4215 0.077 Uiso 1 1 calc R . .
N45 N 0.5350(5) 0.2607(5) 0.3466(5) 0.0541(16) Uani 1 1 d . . .
C46 C 0.6268(5) 0.2303(6) 0.3615(6) 0.0529(19) Uani 1 1 d . . .
H46 H 0.6328 0.2037 0.3074 0.063 Uiso 1 1 calc R . .
C1S C 0.9731(11) 0.4150(10) 0.0164(14) 0.076(6) Uani 0.50 1 d PD B -1
H1S1 H 1.0157 0.3731 0.0757 0.091 Uiso 0.50 1 calc PR B -1
H1S2 H 0.9333 0.3652 -0.0375 0.091 Uiso 0.50 1 calc PR B -1
Cl1 Cl 0.8900(4) 0.4998(4) 0.0399(4) 0.0911(16) Uani 0.50 1 d PD B -1
Cl2 Cl 1.0508(5) 0.4962(6) -0.0168(5) 0.108(2) Uani 0.50 1 d PD B -1

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
Sb 0.0686(4) 0.0944(5) 0.0647(4) -0.0080(4) 0.0287(3) 0.0114(4)
F11 0.163(11) 0.169(11) 0.159(10) 0.036(8) 0.079(8) -0.025(8)
F12 0.117(9) 0.212(12) 0.124(9) -0.013(8) 0.050(7) 0.061(8)
F13 0.198(11) 0.192(12) 0.132(9) 0.027(8) 0.108(9) 0.026(9)
F14 0.074(7) 0.174(10) 0.145(9) 0.011(8) 0.033(6) 0.006(7)
F15 0.197(11) 0.121(9) 0.174(11) -0.033(8) 0.119(9) -0.023(8)
F16 0.183(12) 0.178(12) 0.241(13) -0.061(10) 0.095(9) 0.001(9)
F21 0.132(9) 0.091(8) 0.150(10) 0.038(7) 0.073(8) 0.020(7)
F22 0.128(9) 0.145(10) 0.078(7) -0.020(7) 0.040(7) 0.007(8)
F23 0.133(10) 0.198(13) 0.197(13) -0.028(9) 0.095(9) -0.015(9)
F24 0.269(16) 0.226(15) 0.226(15) -0.006(10) 0.112(11) 0.055(10)
F25 0.200(13) 0.210(13) 0.128(11) -0.028(9) 0.081(9) 0.020(9)
F26 0.159(11) 0.169(12) 0.231(13) -0.001(9) 0.136(10) -0.043(8)
Ag 0.0436(3) 0.0578(4) 0.0468(3) -0.0044(3) 0.0177(2) -0.0016(3)
N1 0.047(4) 0.057(4) 0.044(3) 0.003(3) 0.021(3) 0.001(3)
C11 0.034(4) 0.064(5) 0.032(4) -0.003(4) 0.012(3) 0.002(4)
N12 0.060(4) 0.053(4) 0.051(4) -0.002(3) 0.031(3) -0.007(3)
C13 0.068(5) 0.055(5) 0.071(6) -0.005(4) 0.041(5) -0.012(4)
C14 0.048(4) 0.083(7) 0.066(5) -0.009(5) 0.037(4) -0.012(5)
N15 0.043(3) 0.062(4) 0.068(4) -0.003(4) 0.036(3) 0.000(3)
C16 0.041(4) 0.056(5) 0.056(5) 0.003(4) 0.023(4) -0.003(4)
N2 0.052(4) 0.045(4) 0.062(4) -0.002(3) 0.032(3) -0.009(3)
N21 0.067(4) 0.063(5) 0.080(5) 0.008(4) 0.051(4) -0.004(4)
C22 0.048(4) 0.053(5) 0.050(4) 0.003(4) 0.027(4) 0.003(4)
C23 0.098(7) 0.051(6) 0.130(9) -0.009(6) 0.084(7) -0.006(5)
N24 0.117(7) 0.066(5) 0.158(9) -0.006(6) 0.115(7) -0.017(5)
C25 0.078(6) 0.065(6) 0.094(7) -0.005(6) 0.059(6) -0.005(5)
C26 0.089(7) 0.054(6) 0.097(7) 0.005(5) 0.062(6) 0.013(5)
N3 0.054(4) 0.055(4) 0.053(4) -0.001(3) 0.026(3) -0.004(3)
C31 0.045(4) 0.036(4) 0.083(6) 0.001(4) 0.041(4) 0.001(3)
C32 0.058(5) 0.052(5) 0.068(5) 0.001(4) 0.037(4) -0.003(4)
N33 0.065(5) 0.066(5) 0.096(6) -0.006(4) 0.053(5) -0.004(4)
C34 0.063(6) 0.087(8) 0.124(10) -0.011(7) 0.060(7) 0.000(5)
C35 0.052(6) 0.081(7) 0.109(8) -0.001(6) 0.030(6) 0.014(5)
N36 0.062(5) 0.076(5) 0.064(5) -0.003(4) 0.024(4) 0.000(4)
N4 0.044(3) 0.064(5) 0.046(4) -0.004(3) 0.020(3) -0.011(3)
C41 0.047(4) 0.047(5) 0.049(4) 0.002(4) 0.021(4) 0.000(3)
N42 0.047(4) 0.063(4) 0.055(4) -0.001(4) 0.020(3) 0.001(3)
C43 0.076(6) 0.082(7) 0.052(5) -0.020(5) 0.031(5) 0.007(5)
C44 0.054(5) 0.076(6) 0.063(5) -0.004(5) 0.027(4) 0.011(4)
N45 0.048(4) 0.062(4) 0.049(4) 0.001(3) 0.020(3) 0.005(3)
C46 0.049(4) 0.060(5) 0.052(4) -0.004(4) 0.026(4) -0.002(4)
C1S 0.070(12) 0.048(11) 0.074(13) -0.019(10) 0.006(10) 0.011(10)
Cl1 0.085(4) 0.075(4) 0.105(4) -0.015(3) 0.039(3) 0.012(3)
Cl2 0.093(4) 0.145(7) 0.078(4) -0.007(4) 0.034(3) -0.031(5)

_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
Sb F14 1.796(7) . ?
Sb F26 1.797(7) . ?
Sb F15 1.809(7) . ?
Sb F13 1.810(7) . ?
Sb F24 1.817(8) . ?
Sb F25 1.815(7) . ?
Sb F21 1.822(7) . ?
Sb F22 1.819(7) . ?
Sb F11 1.829(7) . ?
Sb F16 1.831(7) . ?
Sb F23 1.833(8) . ?
Sb F12 1.839(7) . ?
Ag N45 2.402(6) 4_666 ?
Ag N1 2.435(7) . ?
Ag N3 2.448(6) . ?
Ag N42 2.593(6) . ?
Ag N15 2.596(6) 2_646 ?
Ag N21 2.769(7) . ?
N1 N2 1.233(8) . ?
N1 C11 1.425(9) . ?
C11 N12 1.316(9) . ?
C11 C16 1.394(11) . ?
N12 C13 1.322(10) . ?
C13 C14 1.355(11) . ?
C13 H13 0.9300 . ?
C14 N15 1.320(10) . ?
C14 H14 0.9300 . ?
N15 C16 1.324(9) . ?
N15 Ag 2.596(6) 2_656 ?
C16 H16 0.9300 . ?
N2 C22 1.449(9) . ?
N21 C22 1.300(10) . ?
N21 C26 1.329(10) . ?
C22 C23 1.362(11) . ?
C23 N24 1.343(11) . ?
C23 H23 0.9300 . ?
N24 C25 1.294(11) . ?
C25 C26 1.384(12) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
N3 N4 1.225(8) . ?
N3 C31 1.413(9) . ?
C31 N36 1.327(10) . ?
C31 C32 1.409(11) . ?
C32 N33 1.312(10) . ?
C32 H32 0.9300 . ?
N33 C34 1.312(12) . ?
C34 C35 1.367(14) . ?
C34 H34 0.9300 . ?
C35 N36 1.316(11) . ?
C35 H35 0.9300 . ?
N4 C41 1.473(9) . ?
C41 N42 1.313(9) . ?
C41 C46 1.362(10) . ?
N42 C43 1.320(10) . ?
C43 C44 1.388(11) . ?
C43 H43 0.9300 . ?
C44 N45 1.320(10) . ?
C44 H44 0.9300 . ?
N45 C46 1.333(9) . ?
N45 Ag 2.402(6) 4_565 ?
C46 H46 0.9300 . ?
C1S Cl2 1.781(10) . ?
C1S Cl1 1.787(10) . ?
C1S H1S1 0.9700 . ?
C1S H1S2 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
F14 Sb F26 132.7(5) . . ?
F14 Sb F15 92.1(4) . . ?
F26 Sb F15 105.8(5) . . ?
F14 Sb F13 91.4(3) . . ?
F26 Sb F13 130.6(5) . . ?
F15 Sb F13 90.8(4) . . ?
F14 Sb F24 45.0(5) . . ?
F26 Sb F24 91.1(4) . . ?
F15 Sb F24 125.3(6) . . ?
F13 Sb F24 116.7(6) . . ?
F14 Sb F25 75.2(6) . . ?
F26 Sb F25 91.2(4) . . ?
F15 Sb F25 39.6(5) . . ?
F13 Sb F25 126.1(6) . . ?
F24 Sb F25 89.9(4) . . ?
F14 Sb F21 134.2(5) . . ?
F26 Sb F21 89.7(4) . . ?
F15 Sb F21 54.4(5) . . ?
F13 Sb F21 62.7(5) . . ?
F24 Sb F21 179.2(4) . . ?
F25 Sb F21 90.0(4) . . ?
F14 Sb F22 102.7(6) . . ?
F26 Sb F22 91.3(4) . . ?
F15 Sb F22 139.9(5) . . ?
F13 Sb F22 52.3(5) . . ?
F24 Sb F22 89.5(4) . . ?
F25 Sb F22 177.5(5) . . ?
F21 Sb F22 90.6(3) . . ?
F14 Sb F11 90.6(3) . . ?
F26 Sb F11 47.4(5) . . ?
F15 Sb F11 89.4(3) . . ?
F13 Sb F11 178.0(4) . . ?
F24 Sb F11 64.6(6) . . ?
F25 Sb F11 54.8(5) . . ?
F21 Sb F11 115.9(5) . . ?
F22 Sb F11 126.9(6) . . ?
F14 Sb F16 89.5(3) . . ?
F26 Sb F16 72.4(6) . . ?
F15 Sb F16 178.1(4) . . ?
F13 Sb F16 90.1(4) . . ?
F24 Sb F16 55.5(6) . . ?
F25 Sb F16 140.2(6) . . ?
F21 Sb F16 124.8(5) . . ?
F22 Sb F16 40.5(5) . . ?
F11 Sb F16 89.6(4) . . ?
F14 Sb F23 48.4(5) . . ?
F26 Sb F23 178.8(5) . . ?
F15 Sb F23 74.5(6) . . ?
F13 Sb F23 48.1(6) . . ?
F24 Sb F23 89.8(4) . . ?
F25 Sb F23 89.7(4) . . ?
F21 Sb F23 89.5(4) . . ?
F22 Sb F23 87.8(6) . . ?
F11 Sb F23 133.8(6) . . ?
F16 Sb F23 107.4(6) . . ?
F14 Sb F12 177.4(4) . . ?
F26 Sb F12 45.2(5) . . ?
F15 Sb F12 90.0(3) . . ?
F13 Sb F12 90.0(3) . . ?
F24 Sb F12 132.5(6) . . ?
F25 Sb F12 105.7(6) . . ?
F21 Sb F12 48.3(5) . . ?
F22 Sb F12 76.5(5) . . ?
F11 Sb F12 88.0(3) . . ?
F16 Sb F12 88.3(3) . . ?
F23 Sb F12 133.7(5) . . ?
N45 Ag N1 99.7(2) 4_666 . ?
N45 Ag N3 118.6(2) 4_666 . ?
N1 Ag N3 127.2(2) . . ?
N45 Ag N42 163.1(2) 4_666 . ?
N1 Ag N42 90.3(2) . . ?
N3 Ag N42 63.3(2) . . ?
N45 Ag N15 83.2(2) 4_666 2_646 ?
N1 Ag N15 133.8(2) . 2_646 ?
N3 Ag N15 88.3(2) . 2_646 ?
N42 Ag N15 80.0(2) . 2_646 ?
N45 Ag N21 87.4(2) 4_666 . ?
N1 Ag N21 60.9(2) . . ?
N3 Ag N21 84.6(2) . . ?
N42 Ag N21 109.4(2) . . ?
N15 Ag N21 163.8(2) 2_646 . ?
N2 N1 C11 112.7(6) . . ?
N2 N1 Ag 131.1(5) . . ?
C11 N1 Ag 116.1(5) . . ?
N12 C11 C16 122.6(7) . . ?
N12 C11 N1 113.5(7) . . ?
C16 C11 N1 123.8(7) . . ?
C11 N12 C13 115.3(7) . . ?
N12 C13 C14 122.0(8) . . ?
N12 C13 H13 119.0 . . ?
C14 C13 H13 119.0 . . ?
N15 C14 C13 124.0(7) . . ?
N15 C14 H14 118.0 . . ?
C13 C14 H14 118.0 . . ?
C14 N15 C16 114.7(7) . . ?
C14 N15 Ag 121.3(5) . 2_656 ?
C16 N15 Ag 123.6(5) . 2_656 ?
N15 C16 C11 121.3(7) . . ?
N15 C16 H16 119.3 . . ?
C11 C16 H16 119.3 . . ?
N1 N2 C22 113.6(6) . . ?
C22 N21 C26 116.0(7) . . ?
C22 N21 Ag 110.9(5) . . ?
C26 N21 Ag 132.6(6) . . ?
N21 C22 C23 121.8(7) . . ?
N21 C22 N2 123.1(7) . . ?
C23 C22 N2 115.1(7) . . ?
N24 C23 C22 122.5(8) . . ?
N24 C23 H23 118.7 . . ?
C22 C23 H23 118.7 . . ?
C25 N24 C23 115.8(8) . . ?
N24 C25 C26 121.5(8) . . ?
N24 C25 H25 119.3 . . ?
C26 C25 H25 119.3 . . ?
N21 C26 C25 122.3(8) . . ?
N21 C26 H26 118.8 . . ?
C25 C26 H26 118.8 . . ?
N4 N3 C31 112.8(7) . . ?
N4 N3 Ag 127.8(5) . . ?
C31 N3 Ag 119.2(5) . . ?
N36 C31 C32 121.9(7) . . ?
N36 C31 N3 113.0(7) . . ?
C32 C31 N3 125.0(8) . . ?
N33 C32 C31 120.9(8) . . ?
N33 C32 H32 119.5 . . ?
C31 C32 H32 119.5 . . ?
C34 N33 C32 116.1(8) . . ?
N33 C34 C35 123.5(9) . . ?
N33 C34 H34 118.3 . . ?
C35 C34 H34 118.3 . . ?
N36 C35 C34 121.9(10) . . ?
N36 C35 H35 119.1 . . ?
C34 C35 H35 119.1 . . ?
C35 N36 C31 115.7(8) . . ?
N3 N4 C41 112.7(6) . . ?
N42 C41 C46 122.5(7) . . ?
N42 C41 N4 122.2(6) . . ?
C46 C41 N4 115.2(7) . . ?
C41 N42 C43 115.3(7) . . ?
C41 N42 Ag 113.7(5) . . ?
C43 N42 Ag 130.9(5) . . ?
N42 C43 C44 122.4(8) . . ?
N42 C43 H43 118.8 . . ?
C44 C43 H43 118.8 . . ?
N45 C44 C43 122.2(8) . . ?
N45 C44 H44 118.9 . . ?
C43 C44 H44 118.9 . . ?
C44 N45 C46 114.4(7) . . ?
C44 N45 Ag 126.5(5) . 4_565 ?
C46 N45 Ag 118.6(5) . 4_565 ?
N45 C46 C41 123.3(7) . . ?
N45 C46 H46 118.4 . . ?
C41 C46 H46 118.4 . . ?
Cl2 C1S Cl1 109.6(8) . . ?
Cl2 C1S H1S1 109.7 . . ?
Cl1 C1S H1S1 109.7 . . ?
Cl2 C1S H1S2 109.7 . . ?
Cl1 C1S H1S2 109.7 . . ?
H1S1 C1S H1S2 108.2 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        24.98
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.800
_refine_diff_density_min         -0.919
_refine_diff_density_rms         0.126

data_compound_3
_database_code_CSD               199931

_diffrn_measurement_domega       0.30
_diffrn_measurement_rtime        30

_chemical_formula_sum            'C8 H8 Ag2 B2 F8 N6 O'
_chemical_formula_weight         593.56

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'
F F 0.0171 0.0103 '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'
B B 0.0013 0.0007 '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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pn21a
_symmetry_Int_Tables_number      33

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

_cell_length_a                   10.451(2)
_cell_length_b                   9.450(2)
_cell_length_c                   24.193(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2389.3(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5508
_cell_measurement_theta_min      3.
_cell_measurement_theta_max      24.

_exptl_crystal_description       plate
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.08
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1128
_exptl_absorpt_coefficient_mu    1.706
_exptl_absorpt_correction_type   sadabs
_exptl_absorpt_correction_T_min  0.72
_exptl_absorpt_correction_T_max  1.00

_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       SMART
_diffrn_detector_type            CCD_plate
_diffrn_measurement_method       omega-scan
_diffrn_standards_decay_%        0
_diffrn_reflns_number            21240
_diffrn_reflns_av_R_equivalents  0.1045
_diffrn_reflns_av_sigmaI/netI    0.1257
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.68
_diffrn_reflns_theta_max         25.09
_reflns_number_total             4231
_reflns_number_observed          2934
_reflns_observed_criterion       >2sigma(I)

_computing_structure_solution    SIR92
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SCHAKAL

_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^)+(0.1170P)^2^+22.2515P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.40(17)
_refine_ls_number_reflns         4231
_refine_ls_number_parameters     114
_refine_ls_number_restraints     148
_refine_ls_R_factor_all          0.1259
_refine_ls_R_factor_obs          0.0981
_refine_ls_wR_factor_all         0.2959
_refine_ls_wR_factor_obs         0.2773
_refine_ls_goodness_of_fit_all   1.136
_refine_ls_restrained_S_all      1.152
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.51045(9) 0.4288(3) 0.21340(6) 0.0506(5) Uani 1 1 d U . .
Ag2 Ag 1.01077(13) -0.0694(3) 0.12943(6) 0.0533(5) Uani 1 1 d U . .
O1S O 0.959(3) 0.033(3) 0.0358(11) 0.135(9) Uiso 1 1 d . . .
C1 C 0.7766(13) 0.2814(15) 0.2102(5) 0.032(4) Uiso 1 1 d D . .
C2 C 0.8742(17) 0.1885(15) 0.2013(6) 0.044(5) Uiso 1 1 d D . .
H2 H 0.9547 0.2050 0.2163 0.053 Uiso 1 1 calc R . .
C3 C 0.6369(17) 0.1453(15) 0.1587(6) 0.046(5) Uiso 1 1 d D . .
H3 H 0.5569 0.1291 0.1432 0.055 Uiso 1 1 calc R . .
C4 C 0.7331(15) 0.0508(19) 0.1503(7) 0.049(5) Uiso 1 1 d D . .
H4 H 0.7160 -0.0310 0.1303 0.059 Uiso 1 1 calc R . .
C7 C 0.7473(12) 0.5947(14) 0.2899(5) 0.029(4) Uiso 1 1 d D . .
C8 C 0.6543(17) 0.6857(15) 0.3011(6) 0.046(5) Uiso 1 1 d D . .
H8 H 0.5746 0.6743 0.2846 0.055 Uiso 1 1 calc R . .
C5 C 0.892(2) 0.7115(18) 0.3477(7) 0.063(6) Uiso 1 1 d D . .
H5 H 0.9729 0.7206 0.3637 0.076 Uiso 1 1 calc R . .
C6 C 0.7959(15) 0.804(2) 0.3586(8) 0.061(6) Uiso 1 1 d D . .
H6 H 0.8129 0.8782 0.3828 0.073 Uiso 1 1 calc R . .
N1 N 0.6572(11) 0.2644(14) 0.1900(5) 0.032(3) Uiso 1 1 d D . .
N2 N 0.8521(14) 0.0711(16) 0.1699(6) 0.053(4) Uiso 1 1 d D . .
N3 N 0.7158(10) 0.4702(10) 0.2612(4) 0.015(2) Uiso 1 1 d D . .
N4 N 0.8077(11) 0.3936(12) 0.2483(5) 0.023(3) Uiso 1 1 d D . .
N5 N 0.8643(10) 0.6057(12) 0.3122(5) 0.023(3) Uiso 1 1 d D . .
N6 N 0.6738(11) 0.7954(13) 0.3363(5) 0.033(3) Uiso 1 1 d D . .
B1 B 0.7430(15) 0.1965(17) 0.3556(6) 0.065(7) Uiso 1 1 d D . .
F11 F 0.7347(16) 0.1220(18) 0.4038(6) 0.127(3) Uiso 1 1 d D . .
F12 F 0.6395(15) 0.1655(19) 0.3240(7) 0.127(3) Uiso 1 1 d D . .
F13 F 0.8495(15) 0.1621(19) 0.3278(7) 0.127(3) Uiso 1 1 d D . .
F14 F 0.7402(16) 0.3369(15) 0.3672(7) 0.127(3) Uiso 1 1 d D . .
B2 B 0.7128(15) 0.1450(17) 0.6366(7) 0.071(8) Uiso 1 1 d D . .
F21 F 0.7098(17) 0.2375(19) 0.5933(7) 0.138(4) Uiso 1 1 d D . .
F22 F 0.6507(17) 0.203(2) 0.6800(7) 0.138(4) Uiso 1 1 d D . .
F23 F 0.6523(16) 0.0235(17) 0.6215(7) 0.138(4) Uiso 1 1 d D . .
F24 F 0.8349(14) 0.117(2) 0.6497(7) 0.138(4) Uiso 1 1 d 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 0.0146(5) 0.0480(8) 0.0891(10) -0.0065(14) 0.0003(6) 0.0215(7)
Ag2 0.0471(8) 0.0438(8) 0.0688(9) -0.0140(12) 0.0098(7) 0.0269(7)

_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 N1 2.255(14) . ?
Ag1 N4 2.336(11) 4_455 ?
Ag1 N5 2.348(12) 4_455 ?
Ag1 N3 2.469(10) . ?
Ag2 N6 2.285(13) 4_545 ?
Ag2 N2 2.340(17) . ?
Ag2 O1S 2.52(3) . ?
C1 N1 1.349(13) . ?
C1 C2 1.363(17) . ?
C1 N4 1.443(15) . ?
C2 N2 1.363(14) . ?
C2 H2 0.9300 . ?
C3 C4 1.360(17) . ?
C3 N1 1.373(14) . ?
C3 H3 0.9300 . ?
C4 N2 1.344(14) . ?
C4 H4 0.9300 . ?
C7 C8 1.326(16) . ?
C7 N5 1.341(13) . ?
C7 N3 1.404(15) . ?
C8 N6 1.358(14) . ?
C8 H8 0.9300 . ?
C5 N5 1.349(14) . ?
C5 C6 1.361(18) . ?
C5 H5 0.9300 . ?
C6 N6 1.387(14) . ?
C6 H6 0.9300 . ?
N3 N4 1.243(14) . ?
N4 Ag1 2.336(11) 4 ?
N5 Ag1 2.348(12) 4 ?
N6 Ag2 2.285(13) 4_465 ?
B1 F13 1.340(14) . ?
B1 F12 1.357(14) . ?
B1 F14 1.357(14) . ?
B1 F11 1.365(14) . ?
B2 F24 1.342(14) . ?
B2 F22 1.350(14) . ?
B2 F23 1.360(14) . ?
B2 F21 1.365(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N4 128.1(4) . 4_455 ?
N1 Ag1 N5 150.1(4) . 4_455 ?
N4 Ag1 N5 67.4(4) 4_455 4_455 ?
N1 Ag1 N3 68.6(4) . . ?
N4 Ag1 N3 128.7(4) 4_455 . ?
N5 Ag1 N3 125.2(4) 4_455 . ?
N6 Ag2 N2 134.0(4) 4_545 . ?
N6 Ag2 O1S 134.4(7) 4_545 . ?
N2 Ag2 O1S 90.4(7) . . ?
N1 C1 C2 124.0(14) . . ?
N1 C1 N4 121.8(12) . . ?
C2 C1 N4 113.9(12) . . ?
C1 C2 N2 119.0(16) . . ?
C1 C2 H2 120.5 . . ?
N2 C2 H2 120.5 . . ?
C4 C3 N1 120.4(17) . . ?
C4 C3 H3 119.8 . . ?
N1 C3 H3 119.8 . . ?
N2 C4 C3 122.5(18) . . ?
N2 C4 H4 118.8 . . ?
C3 C4 H4 118.8 . . ?
C8 C7 N5 122.3(13) . . ?
C8 C7 N3 118.2(12) . . ?
N5 C7 N3 118.6(12) . . ?
C7 C8 N6 120.9(15) . . ?
C7 C8 H8 119.5 . . ?
N6 C8 H8 119.5 . . ?
N5 C5 C6 116.0(19) . . ?
N5 C5 H5 122.0 . . ?
C6 C5 H5 122.0 . . ?
C5 C6 N6 124.6(19) . . ?
C5 C6 H6 117.7 . . ?
N6 C6 H6 117.7 . . ?
C1 N1 C3 116.1(14) . . ?
C1 N1 Ag1 117.1(10) . . ?
C3 N1 Ag1 126.8(10) . . ?
C4 N2 C2 118.0(17) . . ?
C4 N2 Ag2 115.2(11) . . ?
C2 N2 Ag2 125.0(11) . . ?
N4 N3 C7 115.5(10) . . ?
N4 N3 Ag1 117.5(8) . . ?
C7 N3 Ag1 124.6(8) . . ?
N3 N4 C1 114.4(11) . . ?
N3 N4 Ag1 121.2(8) . 4 ?
C1 N4 Ag1 124.3(8) . 4 ?
C7 N5 C5 120.8(14) . . ?
C7 N5 Ag1 115.6(9) . 4 ?
C5 N5 Ag1 123.6(11) . 4 ?
C8 N6 C6 115.3(15) . . ?
C8 N6 Ag2 122.8(10) . 4_465 ?
C6 N6 Ag2 120.8(11) . 4_465 ?
F13 B1 F12 109.1(12) . . ?
F13 B1 F14 111.0(12) . . ?
F12 B1 F14 108.1(12) . . ?
F13 B1 F11 110.9(12) . . ?
F12 B1 F11 108.7(11) . . ?
F14 B1 F11 109.0(11) . . ?
F24 B2 F22 110.8(12) . . ?
F24 B2 F23 109.6(12) . . ?
F22 B2 F23 109.2(12) . . ?
F24 B2 F21 109.3(12) . . ?
F22 B2 F21 108.9(12) . . ?
F23 B2 F21 108.9(12) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.09
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.176
_refine_diff_density_min         -2.214
_refine_diff_density_rms         0.216

data_compound_4
_database_code_CSD               199932

_diffrn_measurement_domega       0.30
_diffrn_measurement_rtime        20

_chemical_formula_sum            'C24 H18 Ag4 Cl4 N18 O16'
_chemical_formula_weight         1387.84

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'
Cl Cl 0.1484 0.1585 '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           Orthorhombic
_symmetry_space_group_name_H-M   Pbc21
_symmetry_Int_Tables_number      29

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

_cell_length_a                   7.7880(13)
_cell_length_b                   14.259(2)
_cell_length_c                   36.544(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4058.2(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    950
_cell_measurement_theta_min      3
_cell_measurement_theta_max      24

_exptl_crystal_description       plate
_exptl_crystal_colour            brown-red
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_exptl_crystal_density_diffrn    2.272
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2688
_exptl_absorpt_coefficient_mu    2.258
_exptl_absorpt_correction_type   sadabs
_exptl_absorpt_correction_T_min  0.90
_exptl_absorpt_correction_T_max  1.00

_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       SMART
_diffrn_detector_type            CCD_plate
_diffrn_measurement_method       omega-scan
_diffrn_standards_decay_%        0
_diffrn_reflns_number            24189
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0319
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_theta_min         2.23
_diffrn_reflns_theta_max         25.04
_reflns_number_total             6825
_reflns_number_observed          5894
_reflns_observed_criterion       >2sigma(I)

_computing_structure_solution    SIR92
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SCHAKAL

_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^)+(0.1521P)^2^+50.5180P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.50(8)
_refine_ls_number_reflns         6825
_refine_ls_number_parameters     590
_refine_ls_number_restraints     745
_refine_ls_R_factor_all          0.0976
_refine_ls_R_factor_obs          0.0876
_refine_ls_wR_factor_all         0.2495
_refine_ls_wR_factor_obs         0.2403
_refine_ls_goodness_of_fit_all   1.080
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.034
_refine_ls_shift/su_mean         0.002

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 0.58710(19) 0.39392(8) 0.55853(4) 0.0468(4) Uani 1 1 d . . .
Ag2 Ag 1.07984(19) 0.61557(9) 0.64808(4) 0.0484(4) Uani 1 1 d . . .
Ag3 Ag 0.8786(3) 0.24363(11) 0.36938(6) 0.0685(5) Uani 1 1 d . . .
Ag4 Ag 1.4518(3) 0.81373(11) 0.81906(5) 0.0677(5) Uani 1 1 d . . .
N1 N 1.041(2) 0.5907(11) 0.8051(4) 0.045(3) Uani 1 1 d U . .
N2 N 1.108(2) 0.6653(12) 0.8060(4) 0.050(4) Uani 1 1 d U . .
N3 N 0.7754(16) 0.2953(9) 0.5971(4) 0.035(3) Uani 1 1 d U . .
N4 N 0.7291(15) 0.2111(7) 0.6048(3) 0.027(3) Uani 1 1 d U . .
N5 N 0.572(2) 0.3818(14) 0.4074(5) 0.062(5) Uani 1 1 d U . .
N6 N 0.607(2) 0.3415(13) 0.3771(5) 0.059(4) Uani 1 1 d U . .
N13 N 0.9008(18) 0.4158(10) 0.8708(4) 0.043(3) Uani 1 1 d U . .
N16 N 0.967(2) 0.6060(11) 0.8677(5) 0.054(4) Uani 1 1 d U . .
N23 N 1.146(2) 0.6808(11) 0.7038(4) 0.048(4) Uani 1 1 d U . .
N26 N 1.256(2) 0.7711(10) 0.7685(4) 0.047(3) Uani 1 1 d U . .
N33 N 1.0743(17) 0.4648(10) 0.6363(4) 0.038(3) Uani 1 1 d U . .
N36 N 1.0321(18) 0.2665(9) 0.6303(4) 0.035(3) Uani 1 1 d U . .
N43 N 0.4269(17) 0.0465(8) 0.5664(3) 0.030(3) Uani 1 1 d U . .
N46 N 0.4781(19) 0.2471(11) 0.5697(5) 0.047(3) Uani 1 1 d U . .
N53 N 0.668(2) 0.3274(14) 0.5017(4) 0.056(4) Uani 1 1 d U . .
N56 N 0.792(2) 0.2798(11) 0.4330(4) 0.052(4) Uani 1 1 d U . .
N63 N 0.423(2) 0.5291(11) 0.3203(5) 0.049(4) Uani 1 1 d U . .
N66 N 0.473(2) 0.3416(11) 0.3198(5) 0.050(3) Uani 1 1 d U . .
C11 C 0.996(3) 0.5562(16) 0.8400(6) 0.059(5) Uani 1 1 d U . .
C12 C 0.962(2) 0.4526(15) 0.8415(6) 0.056(5) Uani 1 1 d U . .
H12 H 0.9858 0.4152 0.8212 0.067 Uiso 1 1 calc R . .
C14 C 0.869(2) 0.4718(15) 0.9015(5) 0.050(4) Uani 1 1 d U . .
H14 H 0.8244 0.4476 0.9232 0.060 Uiso 1 1 calc R . .
C15 C 0.907(3) 0.5654(15) 0.8972(6) 0.054(5) Uani 1 1 d U . .
H15 H 0.8892 0.6038 0.9174 0.065 Uiso 1 1 calc R . .
C21 C 1.158(2) 0.6939(13) 0.7689(5) 0.044(4) Uani 1 1 d U . .
C22 C 1.100(3) 0.6499(15) 0.7407(6) 0.052(5) Uani 1 1 d U . .
H22 H 1.0287 0.5982 0.7438 0.063 Uiso 1 1 calc R . .
C24 C 1.256(3) 0.7552(13) 0.7032(5) 0.052(5) Uani 1 1 d U . .
H24 H 1.3026 0.7741 0.6810 0.062 Uiso 1 1 calc R . .
C25 C 1.301(3) 0.8037(18) 0.7349(6) 0.069(6) Uani 1 1 d U . .
H25 H 1.3621 0.8594 0.7330 0.082 Uiso 1 1 calc R . .
C31 C 0.9264(18) 0.3275(10) 0.6167(4) 0.029(2) Uani 1 1 d U . .
C32 C 0.9494(18) 0.4242(10) 0.6170(5) 0.031(3) Uani 1 1 d U . .
H32 H 0.8756 0.4617 0.6034 0.037 Uiso 1 1 calc R . .
C34 C 1.197(3) 0.3999(12) 0.6513(6) 0.048(4) Uani 1 1 d U . .
H34 H 1.2935 0.4222 0.6635 0.057 Uiso 1 1 calc R . .
C35 C 1.173(2) 0.3090(12) 0.6477(6) 0.045(4) Uani 1 1 d U . .
H35 H 1.2562 0.2696 0.6575 0.053 Uiso 1 1 calc R . .
C41 C 0.5832(19) 0.1825(10) 0.5867(4) 0.029(2) Uani 1 1 d U . .
C42 C 0.553(2) 0.0886(13) 0.5849(5) 0.036(4) Uani 1 1 d U . .
H42 H 0.6268 0.0500 0.5980 0.044 Uiso 1 1 calc R . .
C44 C 0.321(2) 0.1074(12) 0.5511(5) 0.047(4) Uani 1 1 d U . .
H44 H 0.2233 0.0848 0.5394 0.056 Uiso 1 1 calc R . .
C45 C 0.349(2) 0.2062(12) 0.5518(5) 0.047(4) Uani 1 1 d U . .
H45 H 0.2731 0.2443 0.5390 0.056 Uiso 1 1 calc R . .
C51 C 0.665(3) 0.3419(14) 0.4361(5) 0.050(4) Uani 1 1 d U . .
C52 C 0.603(2) 0.3667(12) 0.4725(4) 0.038(4) Uani 1 1 d U . .
H52 H 0.5160 0.4111 0.4750 0.046 Uiso 1 1 calc R . .
C54 C 0.788(3) 0.2728(14) 0.4976(6) 0.056(5) Uani 1 1 d U . .
H54 H 0.8353 0.2472 0.5187 0.067 Uiso 1 1 calc R . .
C55 C 0.860(3) 0.2453(14) 0.4642(5) 0.051(4) Uani 1 1 d U . .
H55 H 0.9534 0.2045 0.4636 0.061 Uiso 1 1 calc R . .
C61 C 0.528(3) 0.3922(13) 0.3452(5) 0.051(4) Uani 1 1 d U . .
C62 C 0.506(3) 0.4875(15) 0.3493(5) 0.054(5) Uani 1 1 d U . .
H62 H 0.5445 0.5206 0.3697 0.064 Uiso 1 1 calc R . .
C64 C 0.381(2) 0.4786(13) 0.2911(5) 0.046(4) Uani 1 1 d U . .
H64 H 0.3376 0.5085 0.2704 0.055 Uiso 1 1 calc R . .
C65 C 0.402(3) 0.3740(15) 0.2909(6) 0.056(5) Uani 1 1 d U . .
H65 H 0.3672 0.3363 0.2715 0.067 Uiso 1 1 calc R . .
O11 O -0.033(2) 0.4354(16) 0.5222(7) 0.163(12) Uani 1 1 d DU . .
O12 O 0.235(3) 0.4213(13) 0.5453(5) 0.125(8) Uani 1 1 d DU . .
O13 O 0.195(4) 0.4909(18) 0.4894(5) 0.194(15) Uani 1 1 d DU . .
O14 O 0.108(2) 0.5646(9) 0.5414(5) 0.086(5) Uani 1 1 d DU . .
O21 O 0.2655(19) 0.0898(9) 0.6468(4) 0.079(4) Uani 1 1 d DU . .
O22 O 0.3962(19) -0.0489(8) 0.6603(4) 0.079(5) Uani 1 1 d DU . .
O23 O 0.5238(17) 0.0876(12) 0.6756(5) 0.099(6) Uani 1 1 d DU . .
O24 O 0.279(2) 0.0409(13) 0.7061(4) 0.110(7) Uani 1 1 d DU . .
O31 O 0.9516(18) 0.8922(14) 0.7443(5) 0.107(7) Uani 1 1 d DU . .
O32 O 0.790(2) 0.8342(13) 0.7898(4) 0.104(6) Uani 1 1 d DU . .
O33 O 0.674(3) 0.9384(13) 0.7486(6) 0.138(9) Uani 1 1 d DU . .
O34 O 0.736(3) 0.7895(12) 0.7314(5) 0.121(8) Uani 1 1 d DU . .
O41 O 0.248(4) 0.199(3) 0.3918(9) 0.38(4) Uani 1 1 d DU . .
O42 O 0.237(3) 0.0730(14) 0.4291(8) 0.145(10) Uani 1 1 d DU . .
O43 O 0.4943(18) 0.1430(17) 0.4160(7) 0.129(8) Uani 1 1 d DU . .
O44 O 0.298(5) 0.217(2) 0.4524(9) 0.34(4) Uani 1 1 d DU . .
Cl1 Cl 0.1300(7) 0.4780(5) 0.52317(18) 0.0715(15) Uani 1 1 d D . .
Cl2 Cl 0.3650(6) 0.0432(4) 0.67344(14) 0.0547(11) Uani 1 1 d D . .
Cl3 Cl 0.7855(7) 0.8650(4) 0.75405(17) 0.0688(14) Uani 1 1 d D . .
Cl4 Cl 0.3233(9) 0.1565(5) 0.4233(3) 0.114(3) Uani 1 1 d 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 0.0682(9) 0.0190(6) 0.0533(7) -0.0008(5) -0.0020(7) 0.0098(5)
Ag2 0.0642(9) 0.0216(6) 0.0593(8) -0.0006(6) -0.0017(7) -0.0092(5)
Ag3 0.0958(12) 0.0380(8) 0.0718(10) -0.0075(7) 0.0174(10) 0.0037(8)
Ag4 0.1034(13) 0.0356(8) 0.0643(9) -0.0011(7) -0.0028(9) -0.0030(8)
N1 0.057(7) 0.032(6) 0.046(6) -0.004(5) 0.004(6) -0.005(6)
N2 0.048(7) 0.044(7) 0.057(7) 0.002(6) 0.004(6) 0.000(6)
N3 0.033(6) 0.035(6) 0.038(6) 0.013(5) -0.004(5) -0.006(5)
N4 0.033(6) 0.007(4) 0.041(6) 0.001(4) -0.005(5) -0.001(4)
N5 0.064(8) 0.064(8) 0.058(8) 0.000(7) 0.003(7) 0.000(7)
N6 0.070(8) 0.056(8) 0.051(7) 0.001(6) -0.001(6) 0.006(7)
N13 0.050(7) 0.035(6) 0.044(6) 0.013(6) 0.002(6) 0.007(5)
N16 0.046(7) 0.046(7) 0.071(8) 0.007(7) -0.010(6) 0.013(6)
N23 0.049(7) 0.045(7) 0.052(7) 0.005(6) 0.001(6) -0.011(6)
N26 0.059(7) 0.037(6) 0.045(6) 0.001(5) 0.001(6) -0.027(6)
N33 0.038(6) 0.034(6) 0.043(6) 0.002(5) -0.001(5) -0.005(5)
N36 0.037(6) 0.027(6) 0.041(6) 0.010(5) -0.007(5) -0.016(5)
N43 0.042(6) 0.017(5) 0.032(6) 0.006(4) -0.005(5) -0.006(5)
N46 0.037(6) 0.038(6) 0.065(7) -0.005(5) -0.001(6) 0.012(6)
N53 0.052(7) 0.071(8) 0.046(7) -0.006(6) 0.000(6) 0.000(7)
N56 0.057(7) 0.048(7) 0.050(7) -0.011(6) 0.006(6) 0.004(6)
N63 0.067(8) 0.032(6) 0.049(7) 0.005(6) 0.001(6) -0.002(6)
N66 0.057(7) 0.045(7) 0.050(6) 0.007(6) 0.000(6) 0.002(6)
C11 0.061(8) 0.061(9) 0.056(8) 0.001(7) -0.006(7) -0.016(7)
C12 0.050(8) 0.054(8) 0.065(8) 0.002(7) 0.006(7) -0.004(7)
C14 0.046(8) 0.061(9) 0.044(7) 0.014(7) 0.011(6) -0.006(7)
C15 0.054(8) 0.053(8) 0.056(8) 0.009(7) -0.017(7) -0.006(7)
C21 0.043(7) 0.045(7) 0.045(7) 0.008(6) 0.004(6) 0.003(6)
C22 0.056(8) 0.045(8) 0.056(8) 0.005(7) 0.007(7) -0.002(7)
C24 0.056(8) 0.045(8) 0.054(8) 0.006(6) 0.007(7) -0.014(7)
C25 0.076(10) 0.075(10) 0.054(8) -0.003(8) -0.006(8) -0.004(8)
C31 0.038(4) 0.015(4) 0.033(4) 0.003(3) -0.007(4) -0.001(3)
C32 0.025(6) 0.021(6) 0.046(7) 0.008(5) -0.013(6) 0.006(5)
C34 0.051(8) 0.040(7) 0.052(7) -0.012(6) -0.017(7) -0.008(6)
C35 0.035(7) 0.037(7) 0.061(7) -0.003(6) -0.021(6) -0.007(6)
C41 0.038(4) 0.015(4) 0.033(4) 0.003(3) -0.007(4) -0.001(3)
C42 0.037(7) 0.037(7) 0.035(7) -0.003(6) 0.003(6) -0.005(6)
C44 0.038(7) 0.039(7) 0.064(8) 0.011(6) -0.012(7) 0.004(6)
C45 0.048(7) 0.033(7) 0.060(8) 0.007(6) -0.019(7) -0.001(6)
C51 0.058(8) 0.056(8) 0.035(7) -0.008(6) 0.008(6) 0.008(7)
C52 0.049(7) 0.033(7) 0.032(6) 0.001(6) 0.002(6) 0.016(6)
C54 0.066(9) 0.044(8) 0.058(8) -0.007(7) 0.001(7) 0.011(7)
C55 0.052(8) 0.053(8) 0.048(8) -0.007(6) -0.004(7) 0.018(7)
C61 0.065(9) 0.037(7) 0.051(8) 0.012(6) -0.006(7) -0.003(7)
C62 0.053(8) 0.060(9) 0.049(8) -0.014(7) -0.007(7) -0.006(7)
C64 0.043(7) 0.043(8) 0.051(8) 0.014(6) 0.005(6) 0.007(6)
C65 0.065(9) 0.045(8) 0.058(8) 0.000(7) 0.001(7) 0.001(7)
O11 0.149(14) 0.168(15) 0.173(14) -0.005(10) -0.007(10) -0.005(10)
O12 0.117(11) 0.123(11) 0.135(11) 0.005(9) -0.009(9) 0.013(9)
O13 0.206(17) 0.185(17) 0.190(17) 0.005(10) 0.010(10) 0.018(10)
O14 0.085(9) 0.071(8) 0.102(9) 0.005(7) -0.012(7) 0.014(7)
O21 0.087(8) 0.057(7) 0.093(8) -0.003(7) -0.009(7) 0.007(6)
O22 0.068(8) 0.059(7) 0.109(9) -0.004(7) -0.010(7) 0.021(6)
O23 0.081(8) 0.100(9) 0.116(10) -0.004(8) -0.018(8) -0.013(8)
O24 0.112(10) 0.122(11) 0.098(9) 0.014(8) 0.019(8) 0.011(8)
O31 0.092(10) 0.109(11) 0.122(11) 0.015(8) 0.012(8) -0.003(8)
O32 0.096(9) 0.112(10) 0.105(9) -0.008(8) -0.024(8) -0.025(8)
O33 0.132(12) 0.128(12) 0.152(12) -0.014(9) 0.006(9) 0.000(9)
O34 0.129(11) 0.115(11) 0.118(10) -0.007(9) 0.000(9) -0.004(9)
O41 0.38(4) 0.38(4) 0.38(4) 0.001(10) -0.002(10) 0.002(10)
O42 0.134(12) 0.142(13) 0.160(13) 0.006(9) -0.009(9) -0.018(9)
O43 0.120(11) 0.123(11) 0.145(12) -0.014(9) -0.008(9) 0.005(9)
O44 0.34(4) 0.34(4) 0.34(4) -0.008(10) 0.000(10) 0.000(10)
Cl1 0.053(3) 0.078(4) 0.084(4) -0.009(3) -0.012(3) 0.013(3)
Cl2 0.040(2) 0.060(3) 0.064(3) 0.006(2) -0.001(2) 0.003(2)
Cl3 0.057(3) 0.068(3) 0.082(4) -0.003(3) 0.012(3) -0.003(3)
Cl4 0.062(4) 0.071(4) 0.209(10) -0.051(6) 0.005(5) -0.001(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 N43 2.198(12) 3_655 ?
Ag1 N46 2.296(17) . ?
Ag1 N53 2.367(17) . ?
Ag1 N3 2.473(13) . ?
Ag2 N33 2.193(15) . ?
Ag2 N23 2.297(16) . ?
Ag2 N36 2.412(12) 3_755 ?
Ag2 N4 2.565(11) 3_755 ?
Ag3 N13 2.280(15) 4_554 ?
Ag3 N16 2.461(17) 2_764 ?
Ag3 N56 2.475(15) . ?
Ag3 N6 2.549(18) . ?
Ag3 N2 2.657(17) 2_764 ?
Ag3 C12 3.05(2) 4_554 ?
Ag4 N63 2.253(15) 4_665 ?
Ag4 N66 2.291(16) 2_765 ?
Ag4 N26 2.469(15) . ?
Ag4 Ag3 3.267(3) 2_765 ?
N1 N2 1.19(2) . ?
N1 C11 1.41(3) . ?
N2 C21 1.47(2) . ?
N2 Ag3 2.657(17) 2_765 ?
N3 N4 1.284(17) . ?
N3 C31 1.45(2) . ?
N4 C41 1.376(19) . ?
N4 Ag2 2.565(11) 3_745 ?
N5 N6 1.28(3) . ?
N5 C51 1.39(3) . ?
N6 C61 1.50(3) . ?
N13 C12 1.29(3) . ?
N13 C14 1.40(3) . ?
N13 Ag3 2.280(15) 4 ?
N16 C11 1.26(3) . ?
N16 C15 1.31(3) . ?
N16 Ag3 2.461(17) 2_765 ?
N23 C24 1.36(2) . ?
N23 C22 1.46(3) . ?
N26 C21 1.34(2) . ?
N26 C25 1.36(3) . ?
N33 C32 1.33(2) . ?
N33 C34 1.44(2) . ?
N36 C31 1.30(2) . ?
N36 C35 1.41(2) . ?
N36 Ag2 2.412(12) 3_745 ?
N43 C44 1.32(2) . ?
N43 C42 1.33(2) . ?
N43 Ag1 2.198(12) 3_645 ?
N46 C45 1.33(2) . ?
N46 C41 1.38(2) . ?
N53 C54 1.23(3) . ?
N53 C52 1.31(2) . ?
N56 C51 1.33(3) . ?
N56 C55 1.35(3) . ?
N63 C64 1.33(3) . ?
N63 C62 1.38(3) . ?
N63 Ag4 2.253(15) 4_464 ?
N66 C61 1.25(3) . ?
N66 C65 1.28(3) . ?
N66 Ag4 2.291(16) 2_764 ?
C11 C12 1.50(3) . ?
C11 Ag3 3.20(2) 2_765 ?
C12 Ag3 3.05(2) 4 ?
C12 H12 0.9300 . ?
C14 C15 1.38(3) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C21 C22 1.29(3) . ?
C22 H22 0.9300 . ?
C24 C25 1.39(3) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C31 C32 1.39(2) . ?
C32 H32 0.9300 . ?
C34 C35 1.32(2) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C41 C42 1.36(2) . ?
C42 H42 0.9300 . ?
C44 C45 1.43(2) . ?
C44 H44 0.9300 . ?
C45 H45 0.9300 . ?
C51 C52 1.46(2) . ?
C52 H52 0.9300 . ?
C54 C55 1.40(3) . ?
C54 H54 0.9300 . ?
C55 H55 0.9300 . ?
C61 C62 1.38(3) . ?
C62 H62 0.9300 . ?
C64 C65 1.50(3) . ?
C64 H64 0.9300 . ?
C65 H65 0.9300 . ?
O11 Cl1 1.410(13) . ?
O12 Cl1 1.405(13) . ?
O13 Cl1 1.348(13) . ?
O14 Cl1 1.415(12) . ?
O21 Cl2 1.412(11) . ?
O22 Cl2 1.419(11) . ?
O23 Cl2 1.392(12) . ?
O24 Cl2 1.371(12) . ?
O31 Cl3 1.397(12) . ?
O32 Cl3 1.380(12) . ?
O33 Cl3 1.376(12) . ?
O34 Cl3 1.413(12) . ?
O41 Cl4 1.430(14) . ?
O41 Ag3 3.06(3) 1_455 ?
O42 Cl4 1.385(13) . ?
O43 Cl4 1.372(13) . ?
O44 Cl4 1.386(14) . ?

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
N43 Ag1 N46 149.5(5) 3_655 . ?
N43 Ag1 N53 121.6(6) 3_655 . ?
N46 Ag1 N53 83.6(6) . . ?
N43 Ag1 N3 121.2(5) 3_655 . ?
N46 Ag1 N3 66.4(5) . . ?
N53 Ag1 N3 96.6(5) . . ?
N33 Ag2 N23 125.1(5) . . ?
N33 Ag2 N36 144.6(5) . 3_755 ?
N23 Ag2 N36 87.7(5) . 3_755 ?
N33 Ag2 N4 114.3(4) . 3_755 ?
N23 Ag2 N4 101.7(5) . 3_755 ?
N36 Ag2 N4 64.5(4) 3_755 3_755 ?
N13 Ag3 N16 146.3(5) 4_554 2_764 ?
N13 Ag3 N56 101.9(6) 4_554 . ?
N16 Ag3 N56 88.6(6) 2_764 . ?
N13 Ag3 N6 127.3(6) 4_554 . ?
N16 Ag3 N6 86.1(6) 2_764 . ?
N56 Ag3 N6 63.6(5) . . ?
N13 Ag3 N2 120.3(5) 4_554 2_764 ?
N16 Ag3 N2 62.2(6) 2_764 2_764 ?
N56 Ag3 N2 136.7(5) . 2_764 ?
N6 Ag3 N2 82.0(5) . 2_764 ?
N13 Ag3 C12 22.6(6) 4_554 4_554 ?
N16 Ag3 C12 133.4(5) 2_764 4_554 ?
N56 Ag3 C12 124.3(6) . 4_554 ?
N6 Ag3 C12 135.8(6) . 4_554 ?
N2 Ag3 C12 98.5(6) 2_764 4_554 ?
N63 Ag4 N66 170.7(6) 4_665 2_765 ?
N63 Ag4 N26 101.4(6) 4_665 . ?
N66 Ag4 N26 85.9(6) 2_765 . ?
N63 Ag4 Ag3 99.1(4) 4_665 2_765 ?
N66 Ag4 Ag3 87.4(4) 2_765 2_765 ?
N26 Ag4 Ag3 82.8(3) . 2_765 ?
N2 N1 C11 113.5(16) . . ?
N1 N2 C21 110.0(16) . . ?
N1 N2 Ag3 118.6(12) . 2_765 ?
C21 N2 Ag3 131.2(12) . 2_765 ?
N4 N3 C31 114.6(11) . . ?
N4 N3 Ag1 119.3(9) . . ?
C31 N3 Ag1 125.6(9) . . ?
N3 N4 C41 113.9(11) . . ?
N3 N4 Ag2 117.9(8) . 3_745 ?
C41 N4 Ag2 128.1(8) . 3_745 ?
N6 N5 C51 110.9(17) . . ?
N5 N6 C61 111.6(17) . . ?
N5 N6 Ag3 121.4(14) . . ?
C61 N6 Ag3 121.1(13) . . ?
C12 N13 C14 120.1(17) . . ?
C12 N13 Ag3 114.5(14) . 4 ?
C14 N13 Ag3 125.0(11) . 4 ?
C11 N16 C15 119(2) . . ?
C11 N16 Ag3 115.0(15) . 2_765 ?
C15 N16 Ag3 122.5(15) . 2_765 ?
C24 N23 C22 113.8(16) . . ?
C24 N23 Ag2 116.2(12) . . ?
C22 N23 Ag2 129.8(12) . . ?
C21 N26 C25 115.9(17) . . ?
C21 N26 Ag4 123.1(11) . . ?
C25 N26 Ag4 115.8(13) . . ?
C32 N33 C34 114.0(14) . . ?
C32 N33 Ag2 122.9(11) . . ?
C34 N33 Ag2 122.9(10) . . ?
C31 N36 C35 112.3(13) . . ?
C31 N36 Ag2 118.2(10) . 3_745 ?
C35 N36 Ag2 123.0(10) . 3_745 ?
C44 N43 C42 112.2(15) . . ?
C44 N43 Ag1 124.4(11) . 3_645 ?
C42 N43 Ag1 123.3(11) . 3_645 ?
C45 N46 C41 112.0(15) . . ?
C45 N46 Ag1 126.2(12) . . ?
C41 N46 Ag1 118.0(11) . . ?
C54 N53 C52 117.8(18) . . ?
C54 N53 Ag1 124.4(15) . . ?
C52 N53 Ag1 116.2(13) . . ?
C51 N56 C55 117.6(16) . . ?
C51 N56 Ag3 114.9(13) . . ?
C55 N56 Ag3 127.5(12) . . ?
C64 N63 C62 120.0(16) . . ?
C64 N63 Ag4 123.2(13) . 4_464 ?
C62 N63 Ag4 113.3(12) . 4_464 ?
C61 N66 C65 123.5(18) . . ?
C61 N66 Ag4 118.5(13) . 2_764 ?
C65 N66 Ag4 116.8(15) . 2_764 ?
N16 C11 N1 125(2) . . ?
N16 C11 C12 119.8(19) . . ?
N1 C11 C12 114.7(18) . . ?
N16 C11 Ag3 44.1(11) . 2_765 ?
N1 C11 Ag3 85.2(11) . 2_765 ?
C12 C11 Ag3 156.8(14) . 2_765 ?
N13 C12 C11 119.7(19) . . ?
N13 C12 Ag3 42.9(10) . 4 ?
C11 C12 Ag3 162.2(15) . 4 ?
N13 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
Ag3 C12 H12 77.4 4 . ?
C15 C14 N13 115.0(16) . . ?
C15 C14 H14 122.5 . . ?
N13 C14 H14 122.5 . . ?
N16 C15 C14 127(2) . . ?
N16 C15 H15 116.6 . . ?
C14 C15 H15 116.6 . . ?
C22 C21 N26 126.2(17) . . ?
C22 C21 N2 120.7(18) . . ?
N26 C21 N2 112.9(16) . . ?
C21 C22 N23 120.4(18) . . ?
C21 C22 H22 119.8 . . ?
N23 C22 H22 119.8 . . ?
N23 C24 C25 121.9(18) . . ?
N23 C24 H24 119.0 . . ?
C25 C24 H24 119.0 . . ?
N26 C25 C24 121(2) . . ?
N26 C25 H25 119.4 . . ?
C24 C25 H25 119.4 . . ?
N36 C31 C32 125.5(14) . . ?
N36 C31 N3 119.4(13) . . ?
C32 C31 N3 114.9(12) . . ?
N33 C32 C31 121.9(13) . . ?
N33 C32 H32 119.1 . . ?
C31 C32 H32 119.1 . . ?
C35 C34 N33 120.0(16) . . ?
C35 C34 H34 120.0 . . ?
N33 C34 H34 120.0 . . ?
C34 C35 N36 125.6(16) . . ?
C34 C35 H35 117.2 . . ?
N36 C35 H35 117.2 . . ?
C42 C41 N4 117.4(13) . . ?
C42 C41 N46 122.1(15) . . ?
N4 C41 N46 120.5(13) . . ?
N43 C42 C41 126.6(16) . . ?
N43 C42 H42 116.7 . . ?
C41 C42 H42 116.7 . . ?
N43 C44 C45 123.0(16) . . ?
N43 C44 H44 118.5 . . ?
C45 C44 H44 118.5 . . ?
N46 C45 C44 123.9(16) . . ?
N46 C45 H45 118.1 . . ?
C44 C45 H45 118.1 . . ?
N56 C51 N5 126.3(17) . . ?
N56 C51 C52 118.9(17) . . ?
N5 C51 C52 114.6(16) . . ?
N56 C51 Ag3 43.4(9) . . ?
N5 C51 Ag3 83.0(11) . . ?
C52 C51 Ag3 162.3(13) . . ?
N53 C52 C51 120.9(16) . . ?
N53 C52 H52 119.5 . . ?
C51 C52 H52 119.5 . . ?
N53 C54 C55 126(2) . . ?
N53 C54 H54 116.8 . . ?
C55 C54 H54 116.8 . . ?
N56 C55 C54 118.2(17) . . ?
N56 C55 H55 120.9 . . ?
C54 C55 H55 120.9 . . ?
N66 C61 C62 127.4(19) . . ?
N66 C61 N6 116.0(17) . . ?
C62 C61 N6 116.0(18) . . ?
C61 C62 N63 113.4(17) . . ?
C61 C62 H62 123.3 . . ?
N63 C62 H62 123.3 . . ?
N63 C64 C65 121.1(17) . . ?
N63 C64 H64 119.5 . . ?
C65 C64 H64 119.5 . . ?
N66 C65 C64 113.7(19) . . ?
N66 C65 H65 123.1 . . ?
C64 C65 H65 123.1 . . ?
Cl4 O41 Ag3 133.7(19) . 1_455 ?
O13 Cl1 O12 112.7(11) . . ?
O13 Cl1 O11 112.1(11) . . ?
O12 Cl1 O11 107.0(10) . . ?
O13 Cl1 O14 111.0(11) . . ?
O12 Cl1 O14 107.5(9) . . ?
O11 Cl1 O14 106.2(10) . . ?
O24 Cl2 O23 113.4(9) . . ?
O24 Cl2 O21 110.1(9) . . ?
O23 Cl2 O21 108.2(9) . . ?
O24 Cl2 O22 110.8(9) . . ?
O23 Cl2 O22 106.7(8) . . ?
O21 Cl2 O22 107.3(8) . . ?
O33 Cl3 O32 113.2(10) . . ?
O33 Cl3 O31 109.7(10) . . ?
O32 Cl3 O31 107.9(9) . . ?
O33 Cl3 O34 108.7(10) . . ?
O32 Cl3 O34 108.7(10) . . ?
O31 Cl3 O34 108.5(10) . . ?
O43 Cl4 O42 112.5(11) . . ?
O43 Cl4 O44 112.1(12) . . ?
O42 Cl4 O44 110.6(12) . . ?
O43 Cl4 O41 107.5(12) . . ?
O42 Cl4 O41 106.7(12) . . ?
O44 Cl4 O41 107.1(12) . . ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        25.04
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         3.499
_refine_diff_density_min         -1.269
_refine_diff_density_rms         0.264

# END