# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2005 

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Dr Elena Fernandez'
_publ_contact_author_address     
;
Quimica Fisica i Inorganica
Univeristy Rovira i Virgili
Marcelli Domingo s/n
Tarragona
43007
SPAIN
;

_publ_contact_author_email       ELENAF@QUIMICA.URV.ES

_publ_section_title              
;
Unprecedented use of silver(I) N-heterocyclic
carbene complexes for the catalytic preparation of 1,2-bis(boronate)esters
;
loop_
_publ_author_name
'Elena Fernandez'
'Rosa Corberan'
'Eduardo Peris'
'Jesus Ramirez'
'Mercedes Sanau'

data_Compound_1
_database_code_depnum_ccdc_archive 'CCDC 264639'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H104 Ag4 Cl4 N8 O4'
_chemical_formula_weight         1574.79

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           Triclinic
_symmetry_space_group_name_H-M   P1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'

_cell_length_a                   9.3318(19)
_cell_length_b                   11.080(2)
_cell_length_c                   18.816(4)
_cell_angle_alpha                105.54(3)
_cell_angle_beta                 97.78(3)
_cell_angle_gamma                94.74(3)
_cell_volume                     1842.6(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             808
_exptl_absorpt_coefficient_mu    1.237
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      273(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            15440
_diffrn_reflns_av_R_equivalents  0.0702
_diffrn_reflns_av_sigmaI/netI    0.0944
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.14
_diffrn_reflns_theta_max         30.52
_reflns_number_total             12817
_reflns_number_gt                5888
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_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^)+(0.1506P)^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_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.11(9)
_refine_ls_number_reflns         12817
_refine_ls_number_parameters     728
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.1564
_refine_ls_R_factor_gt           0.0604
_refine_ls_wR_factor_ref         0.2559
_refine_ls_wR_factor_gt          0.1778
_refine_ls_goodness_of_fit_ref   0.955
_refine_ls_restrained_S_all      0.955
_refine_ls_shift/su_max          0.430
_refine_ls_shift/su_mean         0.079

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 0.35012(11) 1.19148(8) 0.47397(6) 0.0553(4) Uani 1 1 d . . .
N1 N -0.307(3) 0.788(2) 0.2228(13) 0.094(7) Uani 1 1 d . . .
O1 O 0.0381(19) 0.8274(11) 0.0799(8) 0.090(5) Uani 1 1 d . . .
Cl1 Cl 0.4206(8) 1.1087(6) 0.2731(5) 0.094(2) Uani 1 1 d . . .
C1 C 0.481(4) 0.177(5) 0.099(2) 0.26(3) Uani 1 1 d . . .
H1A H 0.5757 0.1980 0.1294 0.389 Uiso 1 1 calc R . .
H1B H 0.4811 0.1020 0.0584 0.389 Uiso 1 1 calc R . .
H1C H 0.4093 0.1613 0.1283 0.389 Uiso 1 1 calc R . .
Ag2 Ag 0.27456(18) 0.98807(14) 0.33201(9) 0.0810(6) Uani 1 1 d . . .
N2 N -0.117(3) 0.843(2) 0.1779(11) 0.090(7) Uani 1 1 d . . .
O2 O 0.1854(19) 0.3884(15) 0.1200(10) 0.089(5) Uani 1 1 d . . .
Cl2 Cl 0.0265(6) 1.0296(4) 0.3798(3) 0.0626(15) Uani 1 1 d . . .
C2 C 0.444(7) 0.289(5) 0.066(2) 0.26(3) Uani 1 1 d . . .
H2 H 0.4368 0.3597 0.1089 0.308 Uiso 1 1 calc R . .
Ag3 Ag -0.01135(17) 0.79441(13) 0.36238(9) 0.0754(6) Uani 1 1 d . . .
N3 N -0.112(2) 0.3396(18) 0.2611(11) 0.087(7) Uani 1 1 d . . .
Cl3 Cl 0.2390(6) 0.7530(4) 0.3152(4) 0.0653(16) Uani 1 1 d . . .
O3 O 0.0712(15) 1.4046(10) 0.5664(9) 0.061(4) Uani 1 1 d . . .
C3 C 0.568(5) 0.348(5) 0.016(2) 0.23(2) Uani 1 1 d . . .
H3A H 0.5781 0.2821 -0.0274 0.347 Uiso 1 1 calc R . .
H3B H 0.6606 0.3764 0.0476 0.347 Uiso 1 1 calc R . .
H3C H 0.5309 0.4171 0.0008 0.347 Uiso 1 1 calc R . .
Ag4 Ag -0.08659(12) 0.59192(9) 0.22081(7) 0.0622(5) Uani 1 1 d . . .
N4 N 0.097(2) 0.3697(16) 0.2310(11) 0.070(5) Uani 1 1 d . . .
Cl4 Cl -0.1533(6) 0.6722(5) 0.4237(3) 0.0696(15) Uani 1 1 d . . .
C4 C 0.278(3) 0.229(2) 0.0281(12) 0.098(6) Uani 1 1 d . . .
H4 H 0.2486 0.2773 -0.0067 0.118 Uiso 1 1 calc R . .
O4 O 0.2446(14) 0.9165(10) 0.5972(7) 0.062(3) Uani 1 1 d . . .
N5 N 0.577(2) 1.009(2) 0.4792(11) 0.082(6) Uani 1 1 d . . .
C5 C 0.282(4) 0.110(2) -0.0163(16) 0.125(9) Uani 1 1 d . . .
H5A H 0.3096 0.0537 0.0137 0.149 Uiso 1 1 calc R . .
H5B H 0.3520 0.1106 -0.0502 0.149 Uiso 1 1 calc R . .
N6 N 0.386(2) 0.9281(13) 0.5060(10) 0.065(5) Uani 1 1 d . . .
C6 C 0.004(4) 0.065(3) -0.016(2) 0.136(12) Uani 1 1 d . . .
H6 H 0.0305 0.0105 0.0162 0.163 Uiso 1 1 calc R . .
N7 N 0.165(2) 1.4129(13) 0.4578(10) 0.060(5) Uani 1 1 d . . .
C7 C 0.141(4) 0.071(3) -0.0559(19) 0.140(11) Uiso 1 1 d . . .
H7A H 0.1416 -0.0127 -0.0890 0.168 Uiso 1 1 calc R . .
H7B H 0.1239 0.1263 -0.0875 0.168 Uiso 1 1 calc R . .
N8 N 0.365(2) 1.4324(14) 0.4257(11) 0.071(5) Uani 1 1 d . . .
C8 C -0.164(5) 0.034(4) -0.035(3) 0.25(3) Uani 1 1 d . . .
H8A H -0.2078 0.1111 -0.0268 0.379 Uiso 1 1 calc R . .
H8B H -0.1979 -0.0134 -0.0028 0.379 Uiso 1 1 calc R . .
H8C H -0.1919 -0.0150 -0.0859 0.379 Uiso 1 1 calc R . .
C9 C 0.041(3) 0.216(2) 0.0479(16) 0.111(8) Uani 1 1 d . . .
H9A H 0.0081 0.2766 0.0224 0.133 Uiso 1 1 calc R . .
H9B H -0.0159 0.2185 0.0878 0.133 Uiso 1 1 calc R . .
C10 C 0.185(3) 0.252(2) 0.0789(13) 0.067(6) Uani 1 1 d . . .
H10 H 0.2101 0.2059 0.1157 0.080 Uiso 1 1 calc R . .
C11 C 0.361(5) 0.660(4) 0.065(2) 0.23(2) Uani 1 1 d . . .
H11A H 0.4533 0.7050 0.0931 0.343 Uiso 1 1 calc R . .
H11B H 0.3774 0.5817 0.0323 0.343 Uiso 1 1 calc R . .
H11C H 0.2997 0.6437 0.0994 0.343 Uiso 1 1 calc R . .
C12 C 0.288(3) 0.741(2) 0.0192(13) 0.110(7) Uani 1 1 d . . .
H12 H 0.2876 0.8254 0.0532 0.132 Uiso 1 1 calc R . .
C13 C 0.389(4) 0.754(3) -0.0359(16) 0.145(10) Uani 1 1 d . . .
H13A H 0.3987 0.6722 -0.0670 0.218 Uiso 1 1 calc R . .
H13B H 0.4829 0.7951 -0.0089 0.218 Uiso 1 1 calc R . .
H13C H 0.3492 0.8042 -0.0666 0.218 Uiso 1 1 calc R . .
C14 C 0.138(3) 0.6930(19) -0.0147(11) 0.095(6) Uani 1 1 d . . .
H14 H 0.1083 0.7454 -0.0473 0.114 Uiso 1 1 calc R . .
C15 C 0.121(3) 0.562(3) -0.0640(19) 0.132(12) Uani 1 1 d . . .
H15A H 0.1550 0.5075 -0.0340 0.158 Uiso 1 1 calc R . .
H15B H 0.1842 0.5587 -0.1012 0.158 Uiso 1 1 calc R . .
C16 C -0.041(4) 0.504(4) -0.1065(17) 0.186(17) Uani 1 1 d . . .
H16A H -0.0648 0.5411 -0.1470 0.223 Uiso 1 1 calc R . .
H16B H -0.0430 0.4136 -0.1283 0.223 Uiso 1 1 calc R . .
C17 C -0.153(4) 0.526(3) -0.0563(16) 0.164(14) Uani 1 1 d . . .
H17 H -0.1436 0.4670 -0.0261 0.197 Uiso 1 1 calc R . .
C18 C -0.303(4) 0.498(4) -0.0992(19) 0.22(2) Uani 1 1 d . . .
H18A H -0.3657 0.5500 -0.0716 0.334 Uiso 1 1 calc R . .
H18B H -0.3380 0.4107 -0.1072 0.334 Uiso 1 1 calc R . .
H18C H -0.3027 0.5151 -0.1466 0.334 Uiso 1 1 calc R . .
C19 C -0.126(2) 0.662(2) -0.0006(11) 0.098(6) Uani 1 1 d . . .
H19A H -0.1527 0.7223 -0.0277 0.118 Uiso 1 1 calc R . .
H19B H -0.1881 0.6662 0.0370 0.118 Uiso 1 1 calc R . .
C20 C 0.025(3) 0.698(2) 0.0362(14) 0.092(8) Uani 1 1 d . . .
H20 H 0.0479 0.6453 0.0694 0.110 Uiso 1 1 calc R . .
C21 C 0.031(4) 0.851(3) 0.1637(15) 0.120(12) Uani 1 1 d . . .
H21A H 0.0815 0.7897 0.1821 0.144 Uiso 1 1 calc R . .
H21B H 0.0815 0.9345 0.1908 0.144 Uiso 1 1 calc R . .
C22 C -0.199(4) 0.937(2) 0.1718(17) 0.113(11) Uani 1 1 d . . .
H22 H -0.1798 1.0056 0.1529 0.136 Uiso 1 1 calc R . .
C23 C -0.326(3) 0.900(2) 0.2039(17) 0.098(9) Uani 1 1 d . . .
H23 H -0.4057 0.9444 0.2105 0.118 Uiso 1 1 calc R . .
C24 C -0.393(3) 0.741(3) 0.2553(19) 0.123(12) Uani 1 1 d . . .
H24A H -0.3448 0.7441 0.3043 0.185 Uiso 1 1 calc R . .
H24B H -0.4259 0.6552 0.2273 0.185 Uiso 1 1 calc R . .
H24C H -0.4748 0.7882 0.2597 0.185 Uiso 1 1 calc R . .
C04 C -0.166(3) 0.759(2) 0.2073(13) 0.071(6) Uani 1 1 d . . .
C03 C -0.023(3) 0.4163(15) 0.2335(11) 0.069(7) Uani 1 1 d . . .
C27 C 0.221(2) 0.424(2) 0.2021(17) 0.097(10) Uani 1 1 d . . .
H27A H 0.2360 0.5157 0.2220 0.117 Uiso 1 1 calc R . .
H27B H 0.3105 0.3920 0.2173 0.117 Uiso 1 1 calc R . .
C28 C 0.114(7) 0.268(4) 0.251(2) 0.15(2) Uani 1 1 d . . .
H28 H 0.1928 0.2221 0.2497 0.182 Uiso 1 1 calc R . .
C29 C 0.008(6) 0.250(2) 0.2717(15) 0.13(2) Uani 1 1 d . . .
H29 H -0.0079 0.1854 0.2937 0.158 Uiso 1 1 calc R . .
C30 C -0.2567(17) 0.3650(19) 0.2810(12) 0.091(7) Uani 1 1 d . . .
H30A H -0.2451 0.4173 0.3317 0.136 Uiso 1 1 calc R . .
H30B H -0.3146 0.2866 0.2763 0.136 Uiso 1 1 calc R . .
H30C H -0.3045 0.4074 0.2480 0.136 Uiso 1 1 calc R . .
C31 C 0.592(2) 1.092(2) 0.7158(16) 0.126(8) Uani 1 1 d . . .
H31A H 0.5878 1.1782 0.7430 0.189 Uiso 1 1 calc R . .
H31B H 0.5809 1.0848 0.6632 0.189 Uiso 1 1 calc R . .
H31C H 0.6844 1.0675 0.7318 0.189 Uiso 1 1 calc R . .
C32 C 0.470(2) 1.0068(18) 0.7306(11) 0.093(6) Uani 1 1 d . . .
H32 H 0.4632 0.9234 0.6946 0.112 Uiso 1 1 calc R . .
C33 C 0.515(3) 0.992(2) 0.8089(14) 0.121(8) Uani 1 1 d . . .
H33A H 0.6185 0.9902 0.8179 0.181 Uiso 1 1 calc R . .
H33B H 0.4655 0.9152 0.8124 0.181 Uiso 1 1 calc R . .
H33C H 0.4899 1.0625 0.8455 0.181 Uiso 1 1 calc R . .
C34 C 0.3152(17) 1.0511(14) 0.7246(9) 0.067(4) Uani 1 1 d . . .
H34 H 0.2507 0.9946 0.7418 0.080 Uiso 1 1 calc R . .
C35 C 0.312(3) 1.188(2) 0.7729(13) 0.112(8) Uani 1 1 d . . .
H35A H 0.3520 1.1942 0.8243 0.134 Uiso 1 1 calc R . .
H35B H 0.3742 1.2448 0.7559 0.134 Uiso 1 1 calc R . .
C36 C 0.176(4) 1.226(3) 0.7712(18) 0.123(12) Uani 1 1 d . . .
H36A H 0.1849 1.3131 0.8017 0.147 Uiso 1 1 calc R . .
H36B H 0.1165 1.1752 0.7936 0.147 Uiso 1 1 calc R . .
C37 C 0.096(2) 1.2169(15) 0.6915(12) 0.085(5) Uani 1 1 d . . .
H37 H 0.1532 1.2747 0.6717 0.102 Uiso 1 1 calc R . .
C38 C -0.066(3) 1.250(3) 0.684(2) 0.154(13) Uani 1 1 d . . .
H38A H -0.0669 1.3365 0.7118 0.232 Uiso 1 1 calc R . .
H38B H -0.1249 1.1959 0.7039 0.232 Uiso 1 1 calc R . .
H38C H -0.1043 1.2383 0.6325 0.232 Uiso 1 1 calc R . .
C39 C 0.0884(18) 1.0756(17) 0.6353(11) 0.080(5) Uani 1 1 d . . .
H39A H 0.0251 1.0151 0.6494 0.095 Uiso 1 1 calc R . .
H39B H 0.0538 1.0737 0.5840 0.095 Uiso 1 1 calc R . .
C40 C 0.247(2) 1.0485(16) 0.6455(11) 0.057(4) Uani 1 1 d . . .
H40 H 0.3075 1.1070 0.6275 0.068 Uiso 1 1 calc R . .
C41 C 0.504(3) 0.852(2) 0.5088(13) 0.076(7) Uani 1 1 d . . .
H41 H 0.4988 0.7746 0.5188 0.091 Uiso 1 1 calc R . .
C42 C 0.2424(18) 0.9091(17) 0.5306(12) 0.065(6) Uani 1 1 d . . .
H42A H 0.1834 0.9712 0.5185 0.078 Uiso 1 1 calc R . .
H42B H 0.1937 0.8265 0.5014 0.078 Uiso 1 1 calc R . .
C44 C 0.619(4) 0.910(4) 0.4952(16) 0.131(14) Uani 1 1 d . . .
H44 H 0.7124 0.8860 0.4967 0.157 Uiso 1 1 calc R . .
C45 C 0.686(2) 1.105(2) 0.4486(17) 0.098(8) Uani 1 1 d . . .
H45A H 0.6300 1.1635 0.4316 0.147 Uiso 1 1 calc R . .
H45B H 0.7268 1.0552 0.4080 0.147 Uiso 1 1 calc R . .
H45C H 0.7623 1.1497 0.4885 0.147 Uiso 1 1 calc R . .
C46 C 0.472(7) 1.415(3) 0.408(2) 0.24(3) Uani 1 1 d . . .
H46A H 0.4886 1.4594 0.3717 0.356 Uiso 1 1 calc R . .
H46B H 0.4724 1.3261 0.3858 0.356 Uiso 1 1 calc R . .
H46C H 0.5485 1.4443 0.4504 0.356 Uiso 1 1 calc R . .
C47 C 0.304(3) 1.5266(18) 0.4101(13) 0.078(6) Uani 1 1 d . . .
H47 H 0.3441 1.5893 0.3915 0.094 Uiso 1 1 calc R . .
C48 C 0.162(3) 1.510(2) 0.4284(15) 0.078(6) Uani 1 1 d . . .
H48 H 0.0854 1.5558 0.4215 0.094 Uiso 1 1 calc R . .
C02 C 0.2907(19) 1.3573(17) 0.4524(12) 0.056(5) Uani 1 1 d . . .
C50 C 0.045(2) 1.3741(19) 0.4916(12) 0.076(7) Uani 1 1 d . . .
H50A H -0.0395 1.4124 0.4764 0.091 Uiso 1 1 calc R . .
H50B H 0.0204 1.2833 0.4722 0.091 Uiso 1 1 calc R . .
C01 C 0.449(2) 1.0340(17) 0.4887(12) 0.059(5) Uani 1 1 d . . .
C52 C 0.086(2) 1.5355(17) 0.6006(12) 0.053(5) Uani 1 1 d . . .
H52 H 0.1294 1.5807 0.5690 0.064 Uiso 1 1 calc R . .
C53 C -0.0615(18) 1.5791(13) 0.6140(10) 0.067(4) Uani 1 1 d . . .
H53A H -0.1239 1.5626 0.5660 0.080 Uiso 1 1 calc R . .
H53B H -0.1060 1.5286 0.6420 0.080 Uiso 1 1 calc R . .
C54 C -0.0565(18) 1.7148(13) 0.6550(11) 0.077(5) Uani 1 1 d . . .
H54 H -0.0124 1.7652 0.6262 0.093 Uiso 1 1 calc R . .
C55 C -0.202(2) 1.759(2) 0.6687(16) 0.118(8) Uani 1 1 d . . .
H55A H -0.2230 1.7480 0.7152 0.177 Uiso 1 1 calc R . .
H55B H -0.2769 1.7114 0.6287 0.177 Uiso 1 1 calc R . .
H55C H -0.1979 1.8473 0.6710 0.177 Uiso 1 1 calc R . .
C56 C 0.039(2) 1.7387(16) 0.7266(11) 0.077(5) Uani 1 1 d . . .
H56A H -0.0079 1.6917 0.7558 0.093 Uiso 1 1 calc R . .
H56B H 0.0429 1.8276 0.7526 0.093 Uiso 1 1 calc R . .
C57 C 0.198(2) 1.7074(18) 0.7284(15) 0.086(6) Uani 1 1 d . . .
H57A H 0.2439 1.7165 0.7793 0.103 Uiso 1 1 calc R . .
H57B H 0.2544 1.7635 0.7080 0.103 Uiso 1 1 calc R . .
C58 C 0.188(2) 1.5660(15) 0.6791(9) 0.062(4) Uani 1 1 d . . .
H58 H 0.1438 1.5135 0.7068 0.075 Uiso 1 1 calc R . .
C59 C 0.3356(18) 1.5222(17) 0.6680(10) 0.080(5) Uani 1 1 d . . .
H59 H 0.3175 1.4329 0.6393 0.096 Uiso 1 1 calc R . .
C60 C 0.4225(18) 1.5917(18) 0.6241(13) 0.099(7) Uani 1 1 d . . .
H60A H 0.3628 1.5895 0.5779 0.148 Uiso 1 1 calc R . .
H60B H 0.5075 1.5513 0.6137 0.148 Uiso 1 1 calc R . .
H60C H 0.4517 1.6779 0.6531 0.148 Uiso 1 1 calc R . .
C61 C 0.438(3) 1.531(2) 0.7457(14) 0.130(9) Uani 1 1 d . . .
H61A H 0.5297 1.5030 0.7358 0.195 Uiso 1 1 calc R . .
H61B H 0.3910 1.4778 0.7709 0.195 Uiso 1 1 calc R . .
H61C H 0.4534 1.6165 0.7767 0.195 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 0.0574(9) 0.0419(7) 0.0735(11) 0.0178(7) 0.0253(7) 0.0160(6)
N1 0.113(18) 0.087(13) 0.069(13) -0.007(10) 0.007(12) 0.047(12)
O1 0.171(13) 0.043(8) 0.061(8) 0.008(6) 0.051(8) 0.015(8)
Cl1 0.097(5) 0.072(4) 0.140(7) 0.045(4) 0.070(4) 0.027(3)
C1 0.12(3) 0.36(7) 0.22(5) 0.03(4) -0.10(3) 0.04(3)
Ag2 0.0929(14) 0.0658(11) 0.0824(15) 0.0223(10) 0.0190(11) -0.0135(10)
N2 0.148(19) 0.077(13) 0.033(9) -0.011(8) 0.009(10) 0.046(13)
O2 0.099(12) 0.082(10) 0.096(13) 0.018(9) 0.055(9) 0.034(8)
Cl2 0.070(3) 0.042(3) 0.079(4) 0.016(3) 0.024(3) 0.012(2)
C2 0.39(8) 0.30(6) 0.14(3) 0.06(4) 0.15(4) 0.22(6)
Ag3 0.0883(13) 0.0622(10) 0.0724(13) 0.0167(9) 0.0178(10) -0.0089(10)
N3 0.108(14) 0.067(11) 0.078(13) 0.004(10) 0.044(11) -0.034(11)
Cl3 0.066(3) 0.042(3) 0.091(5) 0.015(3) 0.027(3) 0.012(2)
O3 0.077(9) 0.029(5) 0.073(9) 0.011(6) 0.015(7) -0.003(5)
C3 0.23(4) 0.32(6) 0.16(3) 0.07(3) 0.06(3) 0.04(4)
Ag4 0.0767(11) 0.0509(9) 0.0606(11) 0.0094(8) 0.0218(8) 0.0202(8)
N4 0.099(13) 0.052(9) 0.073(12) 0.016(9) 0.047(10) 0.048(9)
Cl4 0.074(3) 0.062(3) 0.088(4) 0.034(3) 0.034(3) 0.016(3)
C4 0.141(19) 0.088(13) 0.074(13) 0.026(10) 0.027(13) 0.033(13)
O4 0.103(8) 0.034(5) 0.047(7) 0.005(5) 0.010(6) 0.012(5)
N5 0.076(12) 0.110(14) 0.083(14) 0.036(11) 0.042(10) 0.057(10)
C5 0.19(3) 0.061(12) 0.117(19) 0.000(13) 0.062(18) 0.028(15)
N6 0.108(13) 0.029(6) 0.059(10) 0.014(6) 0.012(9) 0.021(7)
C6 0.13(2) 0.108(19) 0.18(3) 0.080(19) 0.00(2) 0.010(17)
N7 0.078(12) 0.029(7) 0.059(10) 0.007(7) -0.015(9) -0.003(7)
N8 0.123(15) 0.027(7) 0.066(12) -0.001(7) 0.051(10) 0.018(8)
C8 0.26(5) 0.18(4) 0.23(5) -0.02(3) -0.09(4) 0.03(3)
C9 0.14(2) 0.087(14) 0.14(2) 0.055(15) 0.064(18) 0.053(14)
C10 0.087(15) 0.055(11) 0.060(12) 0.011(9) 0.029(11) 0.014(10)
C11 0.26(5) 0.26(5) 0.23(4) 0.17(4) 0.01(3) 0.09(4)
C12 0.117(17) 0.088(13) 0.100(17) -0.001(12) -0.006(14) 0.003(12)
C13 0.20(3) 0.113(18) 0.13(2) 0.044(17) 0.05(2) -0.001(19)
C14 0.145(19) 0.086(12) 0.065(11) 0.022(9) 0.038(11) 0.043(12)
C15 0.14(2) 0.14(2) 0.12(2) 0.001(19) 0.062(19) 0.068(19)
C16 0.17(3) 0.25(4) 0.09(2) -0.03(2) 0.00(2) 0.07(3)
C17 0.22(3) 0.14(2) 0.11(2) -0.018(17) 0.09(2) -0.05(2)
C18 0.16(3) 0.26(5) 0.15(3) -0.06(3) -0.08(2) 0.02(3)
C19 0.109(16) 0.120(16) 0.080(13) 0.050(12) 0.017(11) 0.022(13)
C20 0.16(2) 0.064(13) 0.057(12) 0.017(10) 0.016(13) 0.022(12)
C21 0.20(3) 0.12(2) 0.073(17) 0.062(15) 0.040(18) 0.01(2)
C22 0.20(3) 0.050(11) 0.11(2) 0.024(12) 0.063(18) 0.047(15)
C23 0.088(16) 0.068(13) 0.11(2) -0.018(12) -0.016(14) 0.033(12)
C24 0.075(16) 0.18(3) 0.15(3) 0.09(2) 0.046(16) 0.029(17)
C04 0.104(17) 0.058(11) 0.048(12) 0.013(9) 0.006(11) 0.013(11)
C03 0.15(2) 0.025(7) 0.041(10) 0.012(7) 0.023(11) 0.011(10)
C27 0.070(14) 0.045(10) 0.16(3) -0.020(13) 0.059(15) 0.009(9)
C28 0.27(6) 0.11(3) 0.07(2) -0.004(17) 0.03(2) 0.11(3)
C29 0.32(6) 0.021(8) 0.037(13) -0.007(8) 0.00(2) 0.05(2)
C30 0.048(8) 0.097(13) 0.104(15) -0.018(11) 0.054(9) -0.041(9)
C31 0.097(16) 0.112(17) 0.16(2) 0.021(16) 0.020(15) -0.002(13)
C32 0.100(14) 0.071(10) 0.091(14) 0.001(9) 0.004(11) 0.006(10)
C33 0.105(16) 0.122(17) 0.116(19) 0.022(14) -0.022(14) 0.012(13)
C34 0.077(10) 0.058(8) 0.061(9) 0.010(7) 0.004(7) 0.019(7)
C35 0.15(2) 0.096(15) 0.080(15) 0.005(11) 0.009(13) 0.063(15)
C36 0.18(3) 0.095(18) 0.079(18) -0.002(14) 0.019(19) 0.03(2)
C37 0.090(12) 0.056(9) 0.114(16) 0.037(10) 0.019(11) -0.003(8)
C38 0.15(2) 0.120(19) 0.27(4) 0.10(2) 0.15(2) 0.065(17)
C39 0.069(10) 0.097(12) 0.097(13) 0.051(10) 0.040(9) 0.025(9)
C40 0.068(10) 0.044(9) 0.060(11) 0.015(8) 0.022(8) -0.002(7)
C41 0.101(17) 0.054(11) 0.064(13) 0.010(9) -0.019(13) 0.037(11)
C42 0.040(8) 0.059(9) 0.084(16) 0.021(9) -0.026(9) -0.005(7)
C44 0.15(3) 0.18(3) 0.072(17) 0.027(18) 0.017(17) 0.12(3)
C45 0.044(10) 0.121(19) 0.14(2) 0.034(15) 0.038(10) 0.015(10)
C46 0.52(10) 0.11(2) 0.13(3) 0.07(2) 0.12(5) 0.10(4)
C47 0.141(17) 0.037(9) 0.070(13) 0.016(8) 0.050(11) 0.024(10)
C48 0.085(13) 0.052(11) 0.100(17) 0.021(10) 0.022(11) 0.018(9)
C02 0.048(9) 0.044(9) 0.070(13) -0.005(8) 0.033(8) 0.002(8)
C50 0.086(16) 0.050(11) 0.072(15) 0.006(10) -0.028(12) 0.003(10)
C01 0.069(11) 0.057(10) 0.074(13) 0.031(9) 0.043(9) 0.047(9)
C52 0.064(11) 0.039(8) 0.057(10) 0.005(7) 0.030(8) 0.008(7)
C53 0.089(11) 0.047(7) 0.077(11) 0.023(7) 0.044(8) 0.012(7)
C54 0.087(11) 0.045(7) 0.113(15) 0.033(9) 0.036(10) 0.019(7)
C55 0.073(12) 0.084(12) 0.19(2) 0.010(14) 0.037(13) 0.025(10)
C56 0.097(13) 0.047(9) 0.081(13) 0.006(8) 0.018(10) 0.006(8)
C57 0.063(11) 0.064(10) 0.133(18) 0.034(11) 0.021(11) -0.013(9)
C58 0.086(11) 0.050(8) 0.050(9) 0.010(7) 0.016(8) 0.006(7)
C59 0.067(10) 0.079(11) 0.085(12) 0.019(9) -0.003(8) 0.001(8)
C60 0.046(9) 0.087(12) 0.141(18) -0.001(12) 0.010(9) -0.001(8)
C61 0.14(2) 0.113(17) 0.13(2) 0.035(15) -0.025(16) 0.018(15)

_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 C02 2.09(2) . ?
Ag1 C01 2.104(18) . ?
Ag1 Ag2 2.952(2) . ?
N1 C24 1.24(4) . ?
N1 C23 1.40(4) . ?
N1 C04 1.43(3) . ?
O1 C20 1.43(2) . ?
O1 C21 1.54(3) . ?
Cl1 Ag2 2.403(7) . ?
C1 C2 1.57(7) . ?
Ag2 Cl3 2.526(5) . ?
Ag2 Cl2 2.626(6) . ?
N2 C04 1.29(3) . ?
N2 C22 1.36(3) . ?
N2 C21 1.45(4) . ?
O2 C27 1.47(3) . ?
O2 C10 1.50(3) . ?
Cl2 Ag3 2.526(5) . ?
C2 C4 1.62(7) . ?
C2 C3 1.77(6) . ?
Ag3 Cl4 2.424(6) . ?
Ag3 Cl3 2.641(6) . ?
Ag3 Ag4 2.942(2) . ?
N3 C03 1.38(3) . ?
N3 C30 1.48(3) . ?
N3 C29 1.58(4) . ?
O3 C50 1.34(3) . ?
O3 C52 1.41(2) . ?
Ag4 C04 2.11(2) . ?
Ag4 C03 2.144(18) . ?
N4 C03 1.27(3) . ?
N4 C28 1.30(5) . ?
N4 C27 1.50(3) . ?
C4 C10 1.36(3) . ?
C4 C5 1.37(3) . ?
O4 C42 1.23(2) . ?
O4 C40 1.497(19) . ?
N5 C01 1.27(2) . ?
N5 C44 1.29(4) . ?
N5 C45 1.67(3) . ?
C5 C7 1.39(4) . ?
N6 C01 1.40(3) . ?
N6 C41 1.45(3) . ?
N6 C42 1.49(3) . ?
C6 C8 1.55(5) . ?
C6 C7 1.58(4) . ?
C6 C9 1.75(4) . ?
N7 C48 1.33(3) . ?
N7 C02 1.37(2) . ?
N7 C50 1.45(3) . ?
N8 C46 1.12(5) . ?
N8 C02 1.28(3) . ?
N8 C47 1.31(3) . ?
C9 C10 1.38(3) . ?
C11 C12 1.55(4) . ?
C12 C14 1.45(3) . ?
C12 C13 1.52(4) . ?
C14 C15 1.49(3) . ?
C14 C20 1.51(4) . ?
C15 C16 1.60(4) . ?
C16 C17 1.49(4) . ?
C17 C18 1.49(4) . ?
C17 C19 1.56(3) . ?
C19 C20 1.45(3) . ?
C22 C23 1.48(4) . ?
C28 C29 1.13(7) . ?
C31 C32 1.53(3) . ?
C32 C33 1.53(3) . ?
C32 C34 1.56(2) . ?
C34 C40 1.53(3) . ?
C34 C35 1.55(2) . ?
C35 C36 1.37(4) . ?
C36 C37 1.56(4) . ?
C37 C38 1.58(3) . ?
C37 C39 1.63(3) . ?
C39 C40 1.53(2) . ?
C41 C44 1.30(5) . ?
C47 C48 1.42(4) . ?
C52 C53 1.53(3) . ?
C52 C58 1.58(3) . ?
C53 C54 1.49(2) . ?
C54 C56 1.46(3) . ?
C54 C55 1.51(2) . ?
C56 C57 1.55(3) . ?
C57 C58 1.58(2) . ?
C58 C59 1.52(2) . ?
C59 C60 1.54(3) . ?
C59 C61 1.61(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
C02 Ag1 C01 168.7(7) . . ?
C02 Ag1 Ag2 107.3(5) . . ?
C01 Ag1 Ag2 72.3(6) . . ?
C24 N1 C23 122(3) . . ?
C24 N1 C04 131(3) . . ?
C23 N1 C04 106(3) . . ?
C20 O1 C21 116.7(19) . . ?
Cl1 Ag2 Cl3 130.0(2) . . ?
Cl1 Ag2 Cl2 129.7(2) . . ?
Cl3 Ag2 Cl2 95.12(19) . . ?
Cl1 Ag2 Ag1 89.96(19) . . ?
Cl3 Ag2 Ag1 127.41(18) . . ?
Cl2 Ag2 Ag1 74.36(13) . . ?
C04 N2 C22 119(3) . . ?
C04 N2 C21 121(2) . . ?
C22 N2 C21 120(3) . . ?
C27 O2 C10 117.4(19) . . ?
Ag3 Cl2 Ag2 85.22(17) . . ?
C1 C2 C4 96(4) . . ?
C1 C2 C3 120(4) . . ?
C4 C2 C3 122(3) . . ?
Cl4 Ag3 Cl2 130.5(2) . . ?
Cl4 Ag3 Cl3 128.6(2) . . ?
Cl2 Ag3 Cl3 94.74(19) . . ?
Cl4 Ag3 Ag4 90.56(15) . . ?
Cl2 Ag3 Ag4 127.61(17) . . ?
Cl3 Ag3 Ag4 74.65(14) . . ?
C03 N3 C30 125(2) . . ?
C03 N3 C29 94(2) . . ?
C30 N3 C29 140(2) . . ?
Ag2 Cl3 Ag3 84.91(17) . . ?
C50 O3 C52 113.2(17) . . ?
C04 Ag4 C03 175.6(10) . . ?
C04 Ag4 Ag3 70.2(6) . . ?
C03 Ag4 Ag3 111.4(5) . . ?
C03 N4 C28 120(3) . . ?
C03 N4 C27 122.6(19) . . ?
C28 N4 C27 117(3) . . ?
C10 C4 C5 122(2) . . ?
C10 C4 C2 112(2) . . ?
C5 C4 C2 107(3) . . ?
C42 O4 C40 113.6(15) . . ?
C01 N5 C44 118(3) . . ?
C01 N5 C45 120(2) . . ?
C44 N5 C45 122(2) . . ?
C4 C5 C7 105(3) . . ?
C01 N6 C41 103.1(19) . . ?
C01 N6 C42 128.6(15) . . ?
C41 N6 C42 127.3(18) . . ?
C8 C6 C7 140(4) . . ?
C8 C6 C9 106(3) . . ?
C7 C6 C9 98(2) . . ?
C48 N7 C02 113(2) . . ?
C48 N7 C50 122(2) . . ?
C02 N7 C50 125.3(17) . . ?
C5 C7 C6 122(3) . . ?
C46 N8 C02 124(3) . . ?
C46 N8 C47 117(3) . . ?
C02 N8 C47 118(2) . . ?
C10 C9 C6 114(2) . . ?
C4 C10 C9 114(2) . . ?
C4 C10 O2 116(2) . . ?
C9 C10 O2 102(2) . . ?
C14 C12 C13 115(2) . . ?
C14 C12 C11 114(3) . . ?
C13 C12 C11 105(3) . . ?
C12 C14 C15 113(2) . . ?
C12 C14 C20 118.1(19) . . ?
C15 C14 C20 107(2) . . ?
C14 C15 C16 116(2) . . ?
C17 C16 C15 113(2) . . ?
C18 C17 C16 112(3) . . ?
C18 C17 C19 111(3) . . ?
C16 C17 C19 112(3) . . ?
C20 C19 C17 113(2) . . ?
O1 C20 C19 107(2) . . ?
O1 C20 C14 106(2) . . ?
C19 C20 C14 116(2) . . ?
N2 C21 O1 112(2) . . ?
N2 C22 C23 100(3) . . ?
N1 C23 C22 109(3) . . ?
N2 C04 N1 106(2) . . ?
N2 C04 Ag4 132(2) . . ?
N1 C04 Ag4 122(2) . . ?
N4 C03 N3 106.1(19) . . ?
N4 C03 Ag4 132.4(17) . . ?
N3 C03 Ag4 120.5(19) . . ?
O2 C27 N4 107.8(18) . . ?
C29 C28 N4 102(4) . . ?
C28 C29 N3 117(4) . . ?
C31 C32 C33 107.3(17) . . ?
C31 C32 C34 116.2(18) . . ?
C33 C32 C34 109.5(18) . . ?
C40 C34 C35 105.0(14) . . ?
C40 C34 C32 114.5(15) . . ?
C35 C34 C32 113.8(15) . . ?
C36 C35 C34 115(2) . . ?
C35 C36 C37 114(3) . . ?
C36 C37 C38 117(2) . . ?
C36 C37 C39 111.4(17) . . ?
C38 C37 C39 105.6(16) . . ?
C40 C39 C37 103.0(15) . . ?
O4 C40 C34 106.7(14) . . ?
O4 C40 C39 105.0(14) . . ?
C34 C40 C39 116.2(16) . . ?
C44 C41 N6 109(2) . . ?
O4 C42 N6 117.0(14) . . ?
N5 C44 C41 105(3) . . ?
N8 C47 C48 103(2) . . ?
N7 C48 C47 104(2) . . ?
N8 C02 N7 100.9(19) . . ?
N8 C02 Ag1 127.2(14) . . ?
N7 C02 Ag1 131.8(15) . . ?
O3 C50 N7 114.7(15) . . ?
N5 C01 N6 104.3(17) . . ?
N5 C01 Ag1 127.6(17) . . ?
N6 C01 Ag1 128.0(14) . . ?
O3 C52 C53 110.9(15) . . ?
O3 C52 C58 108.7(16) . . ?
C53 C52 C58 108.0(15) . . ?
C54 C53 C52 115.2(14) . . ?
C56 C54 C53 107.9(15) . . ?
C56 C54 C55 109.0(18) . . ?
C53 C54 C55 115.8(15) . . ?
C54 C56 C57 119.6(17) . . ?
C56 C57 C58 106.1(14) . . ?
C59 C58 C57 113.7(15) . . ?
C59 C58 C52 109.5(14) . . ?
C57 C58 C52 114.1(15) . . ?
C58 C59 C60 114.6(15) . . ?
C58 C59 C61 112.6(17) . . ?
C60 C59 C61 108.0(16) . . ?

_diffrn_measured_fraction_theta_max 0.954
_diffrn_reflns_theta_full        30.52
_diffrn_measured_fraction_theta_full 0.954
_refine_diff_density_max         0.660
_refine_diff_density_min         -0.763
_refine_diff_density_rms         0.201