# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ol112

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H32 Ag Cl2 F3 N2 O4 P2 S'
_chemical_formula_weight         922.44

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   12.5125(3)
_cell_length_b                   13.1269(3)
_cell_length_c                   13.9163(3)
_cell_angle_alpha                117.169(2)
_cell_angle_beta                 102.567(2)
_cell_angle_gamma                101.203(2)
_cell_volume                     1867.91(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    17763
_cell_measurement_theta_min      0.9500
_cell_measurement_theta_max      1.0000

_exptl_crystal_description       'Irregular prism'
_exptl_crystal_colour            Colourless
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             932
_exptl_absorpt_coefficient_mu    0.884
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6189
_exptl_absorpt_correction_T_max  0.8937
_exptl_absorpt_process_details   SADABS


_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(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  'Xcalibur Oxford Diffraction'
_diffrn_measurement_method       w/-scans
_diffrn_detector_area_resol_mean 16.06
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            34877
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0228
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         4.18
_diffrn_reflns_theta_max         25.00
_reflns_number_total             6548
_reflns_number_gt                5955
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Crysalis CCD'
_computing_cell_refinement       'Crysalis CCD'
_computing_data_reduction        'Crysalis RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

One dissordered dichloromethane molecule has been found. A model has
been applied in which the carbon atom is in two possitions with half occupancies
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0774P)²+11.5637P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    riding
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6548
_refine_ls_number_parameters     477
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0600
_refine_ls_wR_factor_ref         0.1554
_refine_ls_wR_factor_gt          0.1509
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_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 0.90150(3) 0.68745(3) 0.89975(3) 0.02239(14) Uani 1 1 d . . .
P1 P 1.07416(10) 0.65958(11) 0.98831(10) 0.0179(3) Uani 1 1 d . . .
P2 P 0.87584(11) 0.83135(11) 0.84115(10) 0.0191(3) Uani 1 1 d . . .
N1 N 0.7248(4) 0.5345(4) 0.8425(4) 0.0228(9) Uani 1 1 d . . .
N2 N 0.8792(4) 0.4813(4) 0.6986(4) 0.0296(10) Uani 1 1 d . . .
C1 C 0.6433(5) 0.5374(5) 0.8921(5) 0.0266(11) Uani 1 1 d . . .
H1 H 0.6620 0.6008 0.9673 0.032 Uiso 1 1 calc R . .
C2 C 0.5334(5) 0.4510(5) 0.8369(5) 0.0308(12) Uani 1 1 d . . .
H2 H 0.4807 0.4568 0.8755 0.037 Uiso 1 1 calc R . .
C3 C 0.5009(5) 0.3551(5) 0.7238(5) 0.0328(13) Uani 1 1 d . . .
H3 H 0.4267 0.2971 0.6843 0.039 Uiso 1 1 calc R . .
C4 C 0.5853(5) 0.3510(5) 0.6737(5) 0.0312(12) Uani 1 1 d . . .
C5 C 0.5852(5) 0.2619(5) 0.5580(5) 0.0359(13) Uani 1 1 d . . .
C6 C 0.7053(5) 0.3096(5) 0.5588(5) 0.0317(12) Uani 1 1 d . . .
C7 C 0.7581(6) 0.2686(6) 0.4783(5) 0.0424(15) Uani 1 1 d . . .
H7 H 0.7185 0.1985 0.4060 0.051 Uiso 1 1 calc R . .
C8 C 0.8731(6) 0.3364(6) 0.5099(5) 0.0444(16) Uani 1 1 d . . .
H8 H 0.9123 0.3128 0.4581 0.053 Uiso 1 1 calc R . .
C9 C 0.9293(6) 0.4397(6) 0.6191(5) 0.0378(14) Uani 1 1 d . . .
H9 H 1.0066 0.4828 0.6385 0.045 Uiso 1 1 calc R . .
C10 C 0.7690(5) 0.4150(5) 0.6658(4) 0.0256(11) Uani 1 1 d . . .
C11 C 0.6940(4) 0.4408(4) 0.7364(4) 0.0239(11) Uani 1 1 d . . .
C21 C 1.1721(4) 0.6639(4) 0.9101(4) 0.0211(10) Uani 1 1 d . . .
C22 C 1.1876(5) 0.7552(5) 0.8846(5) 0.0310(12) Uani 1 1 d . . .
H22 H 1.1517 0.8131 0.9114 0.037 Uiso 1 1 calc R . .
C23 C 1.2549(6) 0.7613(6) 0.8203(6) 0.0395(14) Uani 1 1 d . . .
H23 H 1.2641 0.8226 0.8034 0.047 Uiso 1 1 calc R . .
C24 C 1.3097(5) 0.6753(5) 0.7804(5) 0.0353(13) Uani 1 1 d . . .
H24 H 1.3559 0.6794 0.7373 0.042 Uiso 1 1 calc R . .
C25 C 1.2949(5) 0.5849(5) 0.8051(5) 0.0310(12) Uani 1 1 d . . .
H25 H 1.3315 0.5276 0.7786 0.037 Uiso 1 1 calc R . .
C26 C 1.2261(4) 0.5773(5) 0.8692(4) 0.0246(11) Uani 1 1 d . . .
H26 H 1.2161 0.5150 0.8848 0.030 Uiso 1 1 calc R . .
C31 C 1.1643(4) 0.7609(4) 1.1402(4) 0.0210(10) Uani 1 1 d . . .
C32 C 1.2831(5) 0.7852(5) 1.1803(4) 0.0255(11) Uani 1 1 d . . .
H32 H 1.3200 0.7499 1.1289 0.031 Uiso 1 1 calc R . .
C33 C 1.3472(5) 0.8623(5) 1.2974(5) 0.0311(12) Uani 1 1 d . . .
H33 H 1.4273 0.8800 1.3241 0.037 Uiso 1 1 calc R . .
C34 C 1.2917(5) 0.9129(5) 1.3744(5) 0.0335(13) Uani 1 1 d . . .
H34 H 1.3345 0.9636 1.4529 0.040 Uiso 1 1 calc R . .
C35 C 1.1729(5) 0.8881(5) 1.3349(5) 0.0326(13) Uani 1 1 d . . .
H35 H 1.1359 0.9218 1.3867 0.039 Uiso 1 1 calc R . .
C37 C 1.0428(4) 0.5081(4) 0.9700(4) 0.0193(10) Uani 1 1 d . . .
H37A H 1.0094 0.4462 0.8885 0.023 Uiso 1 1 calc R . .
H37B H 1.1143 0.4988 1.0029 0.023 Uiso 1 1 calc R . .
C41 C 0.7441(4) 0.8685(4) 0.8493(4) 0.0217(10) Uani 1 1 d . . .
C42 C 0.6960(5) 0.8548(5) 0.9257(5) 0.0285(12) Uani 1 1 d . . .
H42 H 0.7306 0.8257 0.9695 0.034 Uiso 1 1 calc R . .
C43 C 0.5980(6) 0.8837(6) 0.9370(5) 0.0368(13) Uani 1 1 d . . .
H43 H 0.5667 0.8747 0.9886 0.044 Uiso 1 1 calc R . .
C44 C 0.5457(5) 0.9264(5) 0.8718(5) 0.0341(13) Uani 1 1 d . . .
H44 H 0.4797 0.9466 0.8801 0.041 Uiso 1 1 calc R . .
C45 C 0.5912(5) 0.9389(5) 0.7950(5) 0.0300(12) Uani 1 1 d . . .
H45 H 0.5550 0.9662 0.7503 0.036 Uiso 1 1 calc R . .
C46 C 0.6905(4) 0.9110(5) 0.7838(4) 0.0257(11) Uani 1 1 d . . .
H46 H 0.7216 0.9207 0.7323 0.031 Uiso 1 1 calc R . .
C51 C 0.8730(4) 0.7921(4) 0.6973(4) 0.0220(10) Uani 1 1 d . . .
C52 C 0.8051(6) 0.6748(5) 0.6075(5) 0.0372(14) Uani 1 1 d . . .
H52 H 0.7667 0.6195 0.6235 0.045 Uiso 1 1 calc R . .
C53 C 0.7937(7) 0.6391(6) 0.4950(5) 0.0473(17) Uani 1 1 d . . .
H53 H 0.7479 0.5602 0.4359 0.057 Uiso 1 1 calc R . .
C54 C 0.8499(5) 0.7199(5) 0.4698(5) 0.0345(13) Uani 1 1 d . . .
H54 H 0.8410 0.6961 0.3936 0.041 Uiso 1 1 calc R . .
C55 C 0.9193(5) 0.8355(5) 0.5577(5) 0.0293(12) Uani 1 1 d . . .
H55 H 0.9583 0.8900 0.5412 0.035 Uiso 1 1 calc R . .
C56 C 0.9314(5) 0.8716(5) 0.6716(4) 0.0260(11) Uani 1 1 d . . .
H56 H 0.9792 0.9499 0.7307 0.031 Uiso 1 1 calc R . .
C57 C 0.9909(4) 0.9797(4) 0.9371(4) 0.0213(10) Uani 1 1 d . . .
H57A H 1.0628 0.9745 0.9230 0.026 Uiso 1 1 calc R . .
H57B H 0.9698 1.0393 0.9213 0.026 Uiso 1 1 calc R . .
S2 S 0.20063(11) 0.19573(11) 0.77784(11) 0.0247(3) Uani 1 1 d . . .
F4 F 0.3995(4) 0.1660(4) 0.8444(4) 0.0587(11) Uani 1 1 d . . .
F5 F 0.2517(5) 0.0014(4) 0.7493(4) 0.0681(14) Uani 1 1 d . . .
F6 F 0.3208(4) 0.0809(4) 0.6610(4) 0.0588(12) Uani 1 1 d . . .
O14 O 0.1762(3) 0.2012(4) 0.8764(3) 0.0307(8) Uani 1 1 d . . .
O15 O 0.2720(3) 0.3096(3) 0.7996(3) 0.0312(8) Uani 1 1 d . . .
O16 O 0.1037(4) 0.1250(4) 0.6716(3) 0.0417(10) Uani 1 1 d . . .
C201 C 0.2971(6) 0.1055(6) 0.7565(6) 0.0408(15) Uani 1 1 d . . .
O1 O 0.5071(4) 0.1705(4) 0.4813(4) 0.0494(12) Uani 1 1 d . . .
Cl2 Cl 0.5284(6) 0.5811(6) 0.6493(6) 0.180(2) Uiso 1 1 d D . .
C36 C 1.1089(5) 0.8131(5) 1.2179(5) 0.0266(11) Uani 1 1 d . . .
H36 H 1.0292 0.7974 1.1912 0.032 Uiso 1 1 calc R . .
Cl1 Cl 0.5094(10) 0.4167(9) 0.4445(10) 0.279(4) Uiso 1 1 d D . .
C300 C 0.601(3) 0.479(4) 0.5876(10) 0.26(4) Uiso 0.56(6) 1 d PD . 1
C301 C 0.429(3) 0.437(3) 0.537(2) 0.23(4) Uiso 0.44(6) 1 d PD . 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
Ag1 N1 2.367(4) . ?
Ag1 P2 2.4217(12) . ?
Ag1 P1 2.4249(13) . ?
P1 C21 1.817(5) . ?
P1 C31 1.823(5) . ?
P1 C37 1.834(5) . ?
P2 C51 1.814(5) . ?
P2 C41 1.820(5) . ?
P2 C57 1.830(5) . ?
N1 C11 1.323(7) . ?
N1 C1 1.348(7) . ?
N2 C10 1.328(7) . ?
N2 C9 1.340(7) . ?
C1 C2 1.381(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.393(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.384(8) . ?
C3 H3 0.9300 . ?
C4 C11 1.386(7) . ?
C4 C5 1.495(8) . ?
C5 O1 1.206(7) . ?
C5 C6 1.507(9) . ?
C6 C7 1.374(9) . ?
C6 C10 1.394(7) . ?
C7 C8 1.388(10) . ?
C7 H7 0.9300 . ?
C8 C9 1.388(9) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C11 1.478(7) . ?
C21 C22 1.388(7) . ?
C21 C26 1.396(7) . ?
C22 C23 1.373(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.395(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.371(8) . ?
C24 H24 0.9300 . ?
C25 C26 1.388(8) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C31 C32 1.383(7) . ?
C31 C36 1.398(7) . ?
C32 C33 1.391(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.387(9) . ?
C33 H33 0.9300 . ?
C34 C35 1.382(9) . ?
C34 H34 0.9300 . ?
C35 C36 1.387(8) . ?
C35 H35 0.9300 . ?
C37 C37 1.534(9) 2_767 ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C41 C46 1.391(7) . ?
C41 C42 1.392(7) . ?
C42 C43 1.373(8) . ?
C42 H42 0.9300 . ?
C43 C44 1.383(8) . ?
C43 H43 0.9300 . ?
C44 C45 1.372(8) . ?
C44 H44 0.9300 . ?
C45 C46 1.383(8) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C51 C56 1.383(7) . ?
C51 C52 1.388(7) . ?
C52 C53 1.377(8) . ?
C52 H52 0.9300 . ?
C53 C54 1.378(9) . ?
C53 H53 0.9300 . ?
C54 C55 1.373(8) . ?
C54 H54 0.9300 . ?
C55 C56 1.393(7) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C57 C57 1.526(9) 2_777 ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
S2 O16 1.430(4) . ?
S2 O15 1.440(4) . ?
S2 O14 1.443(4) . ?
S2 C201 1.827(6) . ?
F4 C201 1.343(8) . ?
F5 C201 1.322(7) . ?
F6 C201 1.333(7) . ?
Cl2 Cl1 1.304(11) 2_666 ?
Cl2 C300 1.761(2) . ?
Cl2 C301 1.761(2) . ?
C36 H36 0.9300 . ?
Cl1 Cl2 1.304(11) 2_666 ?
Cl1 C301 1.760(2) . ?
Cl1 C300 1.760(2) . ?
Cl1 C301 1.80(4) 2_666 ?
Cl1 Cl1 2.12(2) 2_666 ?
Cl1 C300 2.23(2) 2_666 ?
C300 Cl1 2.23(2) 2_666 ?
C301 Cl1 1.80(4) 2_666 ?

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 P2 113.18(11) . . ?
N1 Ag1 P1 114.43(11) . . ?
P2 Ag1 P1 132.08(4) . . ?
C21 P1 C31 105.1(2) . . ?
C21 P1 C37 104.7(2) . . ?
C31 P1 C37 103.4(2) . . ?
C21 P1 Ag1 107.41(16) . . ?
C31 P1 Ag1 122.67(17) . . ?
C37 P1 Ag1 112.11(16) . . ?
C51 P2 C41 104.5(2) . . ?
C51 P2 C57 104.6(2) . . ?
C41 P2 C57 102.8(2) . . ?
C51 P2 Ag1 117.65(16) . . ?
C41 P2 Ag1 114.02(16) . . ?
C57 P2 Ag1 111.78(16) . . ?
C11 N1 C1 115.6(4) . . ?
C11 N1 Ag1 113.4(3) . . ?
C1 N1 Ag1 130.0(3) . . ?
C10 N2 C9 114.8(5) . . ?
N1 C1 C2 123.3(5) . . ?
N1 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C1 C2 C3 120.4(5) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C4 C3 C2 116.2(5) . . ?
C4 C3 H3 121.9 . . ?
C2 C3 H3 121.9 . . ?
C3 C4 C11 119.3(5) . . ?
C3 C4 C5 131.9(5) . . ?
C11 C4 C5 108.8(5) . . ?
O1 C5 C4 127.9(6) . . ?
O1 C5 C6 127.2(6) . . ?
C4 C5 C6 105.0(5) . . ?
C7 C6 C10 118.9(6) . . ?
C7 C6 C5 132.8(5) . . ?
C10 C6 C5 108.3(5) . . ?
C6 C7 C8 117.0(6) . . ?
C6 C7 H7 121.5 . . ?
C8 C7 H7 121.5 . . ?
C9 C8 C7 119.6(6) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
N2 C9 C8 124.2(6) . . ?
N2 C9 H9 117.9 . . ?
C8 C9 H9 117.9 . . ?
N2 C10 C6 125.4(5) . . ?
N2 C10 C11 125.8(5) . . ?
C6 C10 C11 108.9(5) . . ?
N1 C11 C4 125.1(5) . . ?
N1 C11 C10 125.8(5) . . ?
C4 C11 C10 109.1(5) . . ?
C22 C21 C26 119.0(5) . . ?
C22 C21 P1 117.1(4) . . ?
C26 C21 P1 123.7(4) . . ?
C23 C22 C21 121.0(5) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C22 C23 C24 119.9(5) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C25 C24 C23 119.5(5) . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C24 C25 C26 121.1(5) . . ?
C24 C25 H25 119.5 . . ?
C26 C25 H25 119.5 . . ?
C25 C26 C21 119.5(5) . . ?
C25 C26 H26 120.3 . . ?
C21 C26 H26 120.3 . . ?
C32 C31 C36 119.8(5) . . ?
C32 C31 P1 122.6(4) . . ?
C36 C31 P1 117.6(4) . . ?
C31 C32 C33 120.0(5) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C34 C33 C32 120.0(5) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C35 C34 C33 120.2(5) . . ?
C35 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C34 C35 C36 120.1(5) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C37 C37 P1 109.6(4) 2_767 . ?
C37 C37 H37A 109.7 2_767 . ?
P1 C37 H37A 109.7 . . ?
C37 C37 H37B 109.7 2_767 . ?
P1 C37 H37B 109.7 . . ?
H37A C37 H37B 108.2 . . ?
C46 C41 C42 118.9(5) . . ?
C46 C41 P2 123.0(4) . . ?
C42 C41 P2 118.0(4) . . ?
C43 C42 C41 120.5(5) . . ?
C43 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?
C42 C43 C44 120.1(5) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C45 C44 C43 120.1(5) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C44 C45 C46 120.3(5) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C45 C46 C41 120.1(5) . . ?
C45 C46 H46 119.9 . . ?
C41 C46 H46 119.9 . . ?
C56 C51 C52 118.4(5) . . ?
C56 C51 P2 124.4(4) . . ?
C52 C51 P2 117.2(4) . . ?
C53 C52 C51 121.0(5) . . ?
C53 C52 H52 119.5 . . ?
C51 C52 H52 119.5 . . ?
C52 C53 C54 120.3(5) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 H53 119.8 . . ?
C55 C54 C53 119.5(5) . . ?
C55 C54 H54 120.2 . . ?
C53 C54 H54 120.2 . . ?
C54 C55 C56 120.3(5) . . ?
C54 C55 H55 119.9 . . ?
C56 C55 H55 119.9 . . ?
C51 C56 C55 120.5(5) . . ?
C51 C56 H56 119.7 . . ?
C55 C56 H56 119.7 . . ?
C57 C57 P2 110.3(4) 2_777 . ?
C57 C57 H57A 109.6 2_777 . ?
P2 C57 H57A 109.6 . . ?
C57 C57 H57B 109.6 2_777 . ?
P2 C57 H57B 109.6 . . ?
H57A C57 H57B 108.1 . . ?
O16 S2 O15 115.9(2) . . ?
O16 S2 O14 114.9(2) . . ?
O15 S2 O14 114.6(2) . . ?
O16 S2 C201 103.3(3) . . ?
O15 S2 C201 102.8(3) . . ?
O14 S2 C201 102.6(3) . . ?
F5 C201 F6 108.3(5) . . ?
F5 C201 F4 107.4(6) . . ?
F6 C201 F4 106.7(5) . . ?
F5 C201 S2 111.9(5) . . ?
F6 C201 S2 111.3(4) . . ?
F4 C201 S2 111.1(4) . . ?
Cl1 Cl2 C300 92.2(11) 2_666 . ?
Cl1 Cl2 C301 70.1(19) 2_666 . ?
C300 Cl2 C301 68.6(19) . . ?
C35 C36 C31 119.9(5) . . ?
C35 C36 H36 120.0 . . ?
C31 C36 H36 120.0 . . ?
Cl2 Cl1 C301 121(2) 2_666 . ?
Cl2 Cl1 C300 154(2) 2_666 . ?
C301 Cl1 C300 68.6(19) . . ?
Cl2 Cl1 C301 67.0(14) 2_666 2_666 ?
C301 Cl1 C301 106.9(13) . 2_666 ?
C300 Cl1 C301 87(2) . 2_666 ?
Cl2 Cl1 Cl1 95.5(9) 2_666 2_666 ?
C301 Cl1 Cl1 54.3(14) . 2_666 ?
C300 Cl1 Cl1 69.5(8) . 2_666 ?
C301 Cl1 Cl1 52.6(6) 2_666 2_666 ?
Cl2 Cl1 C300 52.0(8) 2_666 2_666 ?
C301 Cl1 C300 75(2) . 2_666 ?
C300 Cl1 C300 117.1(8) . 2_666 ?
C301 Cl1 C300 58(2) 2_666 2_666 ?
Cl1 Cl1 C300 47.6(4) 2_666 2_666 ?
Cl1 C300 Cl2 94.9(6) . . ?
Cl1 C300 Cl1 62.9(8) . 2_666 ?
Cl2 C300 Cl1 35.7(4) . 2_666 ?
Cl1 C301 Cl2 94.9(6) . . ?
Cl1 C301 Cl1 73.1(13) . 2_666 ?
Cl2 C301 Cl1 43.0(6) . 2_666 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Ag1 P1 C21 126.3(2) . . . . ?
P2 Ag1 P1 C21 -46.66(18) . . . . ?
N1 Ag1 P1 C31 -112.0(2) . . . . ?
P2 Ag1 P1 C31 75.0(2) . . . . ?
N1 Ag1 P1 C37 11.8(2) . . . . ?
P2 Ag1 P1 C37 -161.12(17) . . . . ?
N1 Ag1 P2 C51 -85.6(2) . . . . ?
P1 Ag1 P2 C51 87.4(2) . . . . ?
N1 Ag1 P2 C41 37.2(2) . . . . ?
P1 Ag1 P2 C41 -149.78(17) . . . . ?
N1 Ag1 P2 C57 153.3(2) . . . . ?
P1 Ag1 P2 C57 -33.71(19) . . . . ?
P2 Ag1 N1 C11 85.4(4) . . . . ?
P1 Ag1 N1 C11 -88.9(4) . . . . ?
P2 Ag1 N1 C1 -81.9(4) . . . . ?
P1 Ag1 N1 C1 103.8(4) . . . . ?
C11 N1 C1 C2 -1.4(8) . . . . ?
Ag1 N1 C1 C2 165.8(4) . . . . ?
N1 C1 C2 C3 -0.7(9) . . . . ?
C1 C2 C3 C4 1.8(8) . . . . ?
C2 C3 C4 C11 -0.8(8) . . . . ?
C2 C3 C4 C5 177.6(6) . . . . ?
C3 C4 C5 O1 -0.4(11) . . . . ?
C11 C4 C5 O1 178.2(6) . . . . ?
C3 C4 C5 C6 -179.0(6) . . . . ?
C11 C4 C5 C6 -0.5(6) . . . . ?
O1 C5 C6 C7 1.5(12) . . . . ?
C4 C5 C6 C7 -179.8(7) . . . . ?
O1 C5 C6 C10 -177.7(6) . . . . ?
C4 C5 C6 C10 1.0(6) . . . . ?
C10 C6 C7 C8 -0.1(9) . . . . ?
C5 C6 C7 C8 -179.2(6) . . . . ?
C6 C7 C8 C9 0.7(10) . . . . ?
C10 N2 C9 C8 0.5(9) . . . . ?
C7 C8 C9 N2 -0.9(10) . . . . ?
C9 N2 C10 C6 0.2(8) . . . . ?
C9 N2 C10 C11 -179.8(5) . . . . ?
C7 C6 C10 N2 -0.4(9) . . . . ?
C5 C6 C10 N2 179.0(5) . . . . ?
C7 C6 C10 C11 179.6(5) . . . . ?
C5 C6 C10 C11 -1.0(6) . . . . ?
C1 N1 C11 C4 2.4(8) . . . . ?
Ag1 N1 C11 C4 -166.8(4) . . . . ?
C1 N1 C11 C10 -177.6(5) . . . . ?
Ag1 N1 C11 C10 13.1(6) . . . . ?
C3 C4 C11 N1 -1.4(9) . . . . ?
C5 C4 C11 N1 179.9(5) . . . . ?
C3 C4 C11 C10 178.7(5) . . . . ?
C5 C4 C11 C10 -0.1(6) . . . . ?
N2 C10 C11 N1 0.8(9) . . . . ?
C6 C10 C11 N1 -179.2(5) . . . . ?
N2 C10 C11 C4 -179.3(5) . . . . ?
C6 C10 C11 C4 0.7(6) . . . . ?
C31 P1 C21 C22 -87.2(4) . . . . ?
C37 P1 C21 C22 164.2(4) . . . . ?
Ag1 P1 C21 C22 44.9(4) . . . . ?
C31 P1 C21 C26 96.7(4) . . . . ?
C37 P1 C21 C26 -11.9(5) . . . . ?
Ag1 P1 C21 C26 -131.2(4) . . . . ?
C26 C21 C22 C23 -0.1(9) . . . . ?
P1 C21 C22 C23 -176.4(5) . . . . ?
C21 C22 C23 C24 -0.5(10) . . . . ?
C22 C23 C24 C25 0.5(10) . . . . ?
C23 C24 C25 C26 0.1(9) . . . . ?
C24 C25 C26 C21 -0.7(8) . . . . ?
C22 C21 C26 C25 0.7(8) . . . . ?
P1 C21 C26 C25 176.7(4) . . . . ?
C21 P1 C31 C32 -25.9(5) . . . . ?
C37 P1 C31 C32 83.6(4) . . . . ?
Ag1 P1 C31 C32 -148.6(4) . . . . ?
C21 P1 C31 C36 155.5(4) . . . . ?
C37 P1 C31 C36 -94.9(4) . . . . ?
Ag1 P1 C31 C36 32.8(4) . . . . ?
C36 C31 C32 C33 -0.7(7) . . . . ?
P1 C31 C32 C33 -179.3(4) . . . . ?
C31 C32 C33 C34 1.4(8) . . . . ?
C32 C33 C34 C35 -0.8(8) . . . . ?
C33 C34 C35 C36 -0.3(8) . . . . ?
C21 P1 C37 C37 -178.4(4) . . . 2_767 ?
C31 P1 C37 C37 71.8(5) . . . 2_767 ?
Ag1 P1 C37 C37 -62.3(5) . . . 2_767 ?
C51 P2 C41 C46 -26.2(5) . . . . ?
C57 P2 C41 C46 82.8(4) . . . . ?
Ag1 P2 C41 C46 -156.0(4) . . . . ?
C51 P2 C41 C42 154.5(4) . . . . ?
C57 P2 C41 C42 -96.5(4) . . . . ?
Ag1 P2 C41 C42 24.7(4) . . . . ?
C46 C41 C42 C43 -0.6(8) . . . . ?
P2 C41 C42 C43 178.7(5) . . . . ?
C41 C42 C43 C44 0.3(9) . . . . ?
C42 C43 C44 C45 0.5(9) . . . . ?
C43 C44 C45 C46 -1.1(9) . . . . ?
C44 C45 C46 C41 0.9(8) . . . . ?
C42 C41 C46 C45 0.0(8) . . . . ?
P2 C41 C46 C45 -179.3(4) . . . . ?
C41 P2 C51 C56 96.7(5) . . . . ?
C57 P2 C51 C56 -11.0(5) . . . . ?
Ag1 P2 C51 C56 -135.7(4) . . . . ?
C41 P2 C51 C52 -81.7(5) . . . . ?
C57 P2 C51 C52 170.6(5) . . . . ?
Ag1 P2 C51 C52 45.9(5) . . . . ?
C56 C51 C52 C53 -1.6(9) . . . . ?
P2 C51 C52 C53 177.0(6) . . . . ?
C51 C52 C53 C54 0.0(11) . . . . ?
C52 C53 C54 C55 1.3(11) . . . . ?
C53 C54 C55 C56 -0.9(9) . . . . ?
C52 C51 C56 C55 1.9(8) . . . . ?
P2 C51 C56 C55 -176.5(4) . . . . ?
C54 C55 C56 C51 -0.7(8) . . . . ?
C51 P2 C57 C57 -175.9(5) . . . 2_777 ?
C41 P2 C57 C57 75.2(5) . . . 2_777 ?
Ag1 P2 C57 C57 -47.6(5) . . . 2_777 ?
O16 S2 C201 F5 -66.9(5) . . . . ?
O15 S2 C201 F5 172.1(5) . . . . ?
O14 S2 C201 F5 52.9(5) . . . . ?
O16 S2 C201 F6 54.4(5) . . . . ?
O15 S2 C201 F6 -66.5(5) . . . . ?
O14 S2 C201 F6 174.2(5) . . . . ?
O16 S2 C201 F4 173.1(4) . . . . ?
O15 S2 C201 F4 52.1(5) . . . . ?
O14 S2 C201 F4 -67.1(5) . . . . ?
C34 C35 C36 C31 1.0(8) . . . . ?
C32 C31 C36 C35 -0.4(7) . . . . ?
P1 C31 C36 C35 178.2(4) . . . . ?
Cl2 Cl1 C300 Cl2 75(4) 2_666 . . . ?
C301 Cl1 C300 Cl2 -42(2) . . . . ?
C301 Cl1 C300 Cl2 67(2) 2_666 . . . ?
Cl1 Cl1 C300 Cl2 16.4(15) 2_666 . . . ?
C300 Cl1 C300 Cl2 16.4(15) 2_666 . . . ?
Cl2 Cl1 C300 Cl1 59(2) 2_666 . . 2_666 ?
C301 Cl1 C300 Cl1 -58.5(18) . . . 2_666 ?
C301 Cl1 C300 Cl1 51.1(12) 2_666 . . 2_666 ?
C300 Cl1 C300 Cl1 0.000(2) 2_666 . . 2_666 ?
Cl1 Cl2 C300 Cl1 -26(2) 2_666 . . . ?
C301 Cl2 C300 Cl1 42(2) . . . . ?
C301 Cl2 C300 Cl1 68(2) . . . 2_666 ?
Cl2 Cl1 C301 Cl2 -110(2) 2_666 . . . ?
C300 Cl1 C301 Cl2 42(2) . . . . ?
C301 Cl1 C301 Cl2 -37.5(12) 2_666 . . . ?
Cl1 Cl1 C301 Cl2 -37.5(12) 2_666 . . . ?
C300 Cl1 C301 Cl2 -86(2) 2_666 . . . ?
Cl2 Cl1 C301 Cl1 -72.9(10) 2_666 . . 2_666 ?
C300 Cl1 C301 Cl1 79.5(17) . . . 2_666 ?
C301 Cl1 C301 Cl1 0.000(2) 2_666 . . 2_666 ?
C300 Cl1 C301 Cl1 -48.5(15) 2_666 . . 2_666 ?
Cl1 Cl2 C301 Cl1 59(2) 2_666 . . . ?
C300 Cl2 C301 Cl1 -42(2) . . . . ?
C300 Cl2 C301 Cl1 -100.7(18) . . . 2_666 ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C2 H2 O15 0.93 2.58 3.229(7) 127.6 .
C1 H1 O14 0.93 2.54 3.314(7) 140.6 2_667
C42 H42 O14 0.93 2.42 3.326(6) 165.4 2_667
C36 H36 O14 0.93 2.54 3.459(7) 167.9 2_667
C43 H43 F4 0.93 2.58 3.385(7) 145.1 2_667

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         3.260
_refine_diff_density_min         -2.327
_refine_diff_density_rms         0.135
_database_code_depnum_ccdc_archive 'CCDC 976340'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_lola52as

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H46 Ag B10 Cl2 F3 N2 O4 P2 S'
_chemical_formula_weight         900.53

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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   10.550(2)
_cell_length_b                   11.130(2)
_cell_length_c                   18.140(4)
_cell_angle_alpha                73.23(3)
_cell_angle_beta                 80.37(3)
_cell_angle_gamma                78.91(3)
_cell_volume                     1987.1(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9979
_cell_measurement_theta_min      4.352
_cell_measurement_theta_max      56.452

_exptl_crystal_description       'Irregular prism'
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             916
_exptl_absorpt_coefficient_mu    0.825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8524
_exptl_absorpt_correction_T_max  0.9522
_exptl_absorpt_process_details   
;
SADABS; Area-Detector Absorption Correction. Bruker-AXS
within SAINT+ package, v. 6.02 (1999).
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27004
_diffrn_reflns_av_R_equivalents  0.0246
_diffrn_reflns_av_sigmaI/netI    0.0235
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.93
_diffrn_reflns_theta_max         26.00
_reflns_number_total             7782
_reflns_number_gt                7135
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_cell_refinement       'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_data_reduction        'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v.'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0259P)²+1.2897P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    riding
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7782
_refine_ls_number_parameters     477
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0239
_refine_ls_wR_factor_ref         0.0580
_refine_ls_wR_factor_gt          0.0562
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.169540(13) 0.429475(13) 0.243182(8) 0.01568(5) Uani 1 1 d . . .
B3 B 0.1279(2) 0.3763(2) 0.47452(12) 0.0156(4) Uani 1 1 d . . .
H113 H 0.0682 0.4690 0.4535 0.019 Uiso 1 1 calc R . .
B4 B 0.0576(2) 0.2369(2) 0.52505(12) 0.0178(4) Uani 1 1 d . . .
H114 H -0.0481 0.2389 0.5403 0.021 Uiso 1 1 calc R . .
B5 B 0.1607(2) 0.1093(2) 0.49503(12) 0.0179(4) Uani 1 1 d . . .
H115 H 0.1234 0.0264 0.4903 0.021 Uiso 1 1 calc R . .
B6 B 0.2901(2) 0.1760(2) 0.42771(13) 0.0170(4) Uani 1 1 d . . .
H116 H 0.3341 0.1400 0.3773 0.020 Uiso 1 1 calc R . .
B7 B 0.3830(2) 0.2350(2) 0.48019(13) 0.0184(4) Uani 1 1 d . . .
H117 H 0.4888 0.2332 0.4659 0.022 Uiso 1 1 calc R . .
B8 B 0.2795(2) 0.3617(2) 0.51038(12) 0.0176(4) Uani 1 1 d . . .
H118 H 0.3165 0.4440 0.5162 0.021 Uiso 1 1 calc R . .
B9 B 0.1465(2) 0.3015(2) 0.57442(12) 0.0191(4) Uani 1 1 d . . .
H119 H 0.0979 0.3453 0.6210 0.023 Uiso 1 1 calc R . .
B10 B 0.1702(2) 0.1345(2) 0.58621(13) 0.0213(5) Uani 1 1 d . . .
H120 H 0.1384 0.0683 0.6412 0.026 Uiso 1 1 calc R . .
B11 B 0.3153(2) 0.0937(2) 0.52578(13) 0.0206(5) Uani 1 1 d . . .
H111 H 0.3775 0.0008 0.5405 0.025 Uiso 1 1 calc R . .
B12 B 0.3066(2) 0.2108(2) 0.57742(13) 0.0210(5) Uani 1 1 d . . .
H112 H 0.3623 0.1937 0.6265 0.025 Uiso 1 1 calc R . .
C1 C 0.13278(17) 0.25450(17) 0.43338(10) 0.0142(4) Uani 1 1 d . . .
C2 C 0.27413(17) 0.33451(17) 0.42373(10) 0.0139(4) Uani 1 1 d . . .
C11 C -0.01491(18) 0.68419(18) 0.13110(11) 0.0193(4) Uani 1 1 d . . .
H11 H -0.0546 0.7106 0.1748 0.023 Uiso 1 1 calc R . .
C12 C -0.04985(19) 0.75617(18) 0.05927(12) 0.0219(4) Uani 1 1 d . . .
H12 H -0.1115 0.8290 0.0559 0.026 Uiso 1 1 calc R . .
C13 C 0.00624(19) 0.72068(19) -0.00771(11) 0.0216(4) Uani 1 1 d . . .
H13 H -0.0153 0.7685 -0.0564 0.026 Uiso 1 1 calc R . .
C14 C 0.09538(18) 0.61101(18) 0.00169(11) 0.0184(4) Uani 1 1 d . . .
C15 C 0.17273(18) 0.53911(18) -0.05402(11) 0.0198(4) Uani 1 1 d . . .
C16 C 0.24921(18) 0.42506(18) -0.00472(11) 0.0181(4) Uani 1 1 d . . .
C17 C 0.33183(18) 0.32116(18) -0.02077(11) 0.0197(4) Uani 1 1 d . . .
H17 H 0.3540 0.3129 -0.0711 0.024 Uiso 1 1 calc R . .
C18 C 0.38022(18) 0.22951(18) 0.04237(11) 0.0200(4) Uani 1 1 d . . .
H18 H 0.4365 0.1577 0.0347 0.024 Uiso 1 1 calc R . .
C19 C 0.34526(18) 0.24441(18) 0.11650(11) 0.0187(4) Uani 1 1 d . . .
H19 H 0.3796 0.1812 0.1573 0.022 Uiso 1 1 calc R . .
C20 C 0.21919(17) 0.43121(17) 0.07199(11) 0.0157(4) Uani 1 1 d . . .
C21 C 0.12456(17) 0.54538(17) 0.07584(10) 0.0152(4) Uani 1 1 d . . .
C31 C 0.02504(18) 0.14145(17) 0.33030(11) 0.0181(4) Uani 1 1 d . . .
H31 H -0.0248 0.0922 0.3757 0.022 Uiso 1 1 calc R . .
C32 C -0.0522(2) 0.1796(2) 0.26026(12) 0.0240(4) Uani 1 1 d . . .
H32A H -0.0046 0.2306 0.2164 0.036 Uiso 1 1 calc R . .
H32B H -0.1351 0.2275 0.2724 0.036 Uiso 1 1 calc R . .
H32C H -0.0651 0.1047 0.2482 0.036 Uiso 1 1 calc R . .
C33 C 0.1537(2) 0.06073(19) 0.31090(13) 0.0267(5) Uani 1 1 d . . .
H33A H 0.1376 -0.0041 0.2899 0.040 Uiso 1 1 calc R . .
H33B H 0.1951 0.0219 0.3571 0.040 Uiso 1 1 calc R . .
H33C H 0.2094 0.1136 0.2734 0.040 Uiso 1 1 calc R . .
C41 C -0.12175(17) 0.36565(18) 0.38161(10) 0.0166(4) Uani 1 1 d . . .
H41 H -0.1099 0.4080 0.4199 0.020 Uiso 1 1 calc R . .
C42 C -0.17750(18) 0.47030(18) 0.31429(11) 0.0199(4) Uani 1 1 d . . .
H42A H -0.1927 0.4330 0.2756 0.030 Uiso 1 1 calc R . .
H42B H -0.1167 0.5288 0.2919 0.030 Uiso 1 1 calc R . .
H42C H -0.2580 0.5146 0.3332 0.030 Uiso 1 1 calc R . .
C43 C -0.21824(18) 0.2735(2) 0.42229(12) 0.0227(4) Uani 1 1 d . . .
H43A H -0.2949 0.3183 0.4448 0.034 Uiso 1 1 calc R . .
H43B H -0.1788 0.2069 0.4624 0.034 Uiso 1 1 calc R . .
H43C H -0.2414 0.2373 0.3852 0.034 Uiso 1 1 calc R . .
C51 C 0.48937(17) 0.41069(18) 0.29693(11) 0.0178(4) Uani 1 1 d . . .
H51 H 0.5404 0.4184 0.3353 0.021 Uiso 1 1 calc R . .
C52 C 0.51676(19) 0.5110(2) 0.22042(11) 0.0239(4) Uani 1 1 d . . .
H52A H 0.6077 0.4981 0.2019 0.036 Uiso 1 1 calc R . .
H52B H 0.4927 0.5942 0.2288 0.036 Uiso 1 1 calc R . .
H52C H 0.4670 0.5036 0.1826 0.036 Uiso 1 1 calc R . .
C53 C 0.52881(19) 0.27904(19) 0.28332(12) 0.0230(4) Uani 1 1 d . . .
H53A H 0.4696 0.2661 0.2525 0.035 Uiso 1 1 calc R . .
H53B H 0.5263 0.2159 0.3323 0.035 Uiso 1 1 calc R . .
H53C H 0.6154 0.2721 0.2566 0.035 Uiso 1 1 calc R . .
C61 C 0.29500(19) 0.60240(17) 0.35597(11) 0.0196(4) Uani 1 1 d . . .
H61 H 0.2302 0.5956 0.4019 0.024 Uiso 1 1 calc R . .
C62 C 0.2361(2) 0.71088(19) 0.29204(13) 0.0309(5) Uani 1 1 d . . .
H62A H 0.2216 0.7887 0.3073 0.046 Uiso 1 1 calc R . .
H62B H 0.1549 0.6931 0.2837 0.046 Uiso 1 1 calc R . .
H62C H 0.2949 0.7190 0.2450 0.046 Uiso 1 1 calc R . .
C63 C 0.4166(2) 0.6334(2) 0.37822(13) 0.0284(5) Uani 1 1 d . . .
H63A H 0.4778 0.6547 0.3327 0.043 Uiso 1 1 calc R . .
H63B H 0.4555 0.5608 0.4152 0.043 Uiso 1 1 calc R . .
H63C H 0.3926 0.7040 0.4007 0.043 Uiso 1 1 calc R . .
C100 C 0.30233(19) -0.0178(2) 0.82570(13) 0.0253(4) Uani 1 1 d . . .
C101 C 0.2876(2) 0.9189(2) 0.08318(13) 0.0270(5) Uani 1 1 d . . .
H10A H 0.3422 0.9233 0.1201 0.032 Uiso 1 1 calc R . .
H10B H 0.3119 0.9773 0.0338 0.032 Uiso 1 1 calc R . .
Cl1 Cl 0.12283(5) 0.96515(5) 0.11580(4) 0.03404(13) Uani 1 1 d . . .
Cl2 Cl 0.31433(5) 0.76285(5) 0.07237(3) 0.03119(12) Uani 1 1 d . . .
F1 F 0.18097(13) 0.00477(15) 0.85914(11) 0.0578(5) Uani 1 1 d . . .
F2 F 0.35051(13) -0.13576(11) 0.86173(7) 0.0332(3) Uani 1 1 d . . .
F3 F 0.29711(15) -0.01654(13) 0.75307(8) 0.0438(4) Uani 1 1 d . . .
N1 N 0.07386(14) 0.57763(14) 0.14081(9) 0.0157(3) Uani 1 1 d . . .
N2 N 0.26386(15) 0.34571(14) 0.13323(9) 0.0164(3) Uani 1 1 d . . .
O1 O 0.17119(15) 0.56661(14) -0.12328(8) 0.0285(3) Uani 1 1 d . . .
O2 O 0.52321(14) 0.05998(15) 0.79103(9) 0.0312(3) Uani 1 1 d . . .
O3 O 0.32931(17) 0.21717(14) 0.79531(10) 0.0384(4) Uani 1 1 d . . .
O4 O 0.39997(15) 0.07322(15) 0.91403(8) 0.0316(3) Uani 1 1 d . . .
P1 P 0.04356(4) 0.29273(4) 0.34738(3) 0.01315(10) Uani 1 1 d . . .
P2 P 0.31443(4) 0.44996(4) 0.32888(3) 0.01331(10) Uani 1 1 d . . .
S1 S 0.39968(5) 0.09700(5) 0.83155(3) 0.02103(10) Uani 1 1 d . . .


_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 2.3252(18) . ?
Ag1 N2 2.4269(17) . ?
Ag1 P1 2.4358(11) . ?
Ag1 P2 2.4370(8) . ?
B3 C2 1.715(3) . ?
B3 C1 1.715(3) . ?
B3 B4 1.786(3) . ?
B3 B8 1.787(3) . ?
B3 B9 1.789(3) . ?
B4 C1 1.692(3) . ?
B4 B9 1.764(3) . ?
B4 B10 1.770(3) . ?
B4 B5 1.775(3) . ?
B5 C1 1.683(3) . ?
B5 B11 1.772(3) . ?
B5 B10 1.777(3) . ?
B5 B6 1.793(3) . ?
B6 C2 1.722(3) . ?
B6 C1 1.722(3) . ?
B6 B11 1.788(3) . ?
B6 B7 1.795(3) . ?
B7 C2 1.687(3) . ?
B7 B8 1.770(3) . ?
B7 B11 1.776(3) . ?
B7 B12 1.780(3) . ?
B8 C2 1.696(3) . ?
B8 B9 1.770(3) . ?
B8 B12 1.770(3) . ?
B9 B10 1.782(3) . ?
B9 B12 1.794(3) . ?
B10 B12 1.770(3) . ?
B10 B11 1.791(3) . ?
B11 B12 1.792(3) . ?
C1 C2 1.839(2) . ?
C1 P1 1.8588(19) . ?
C2 P2 1.866(2) . ?
C11 N1 1.350(2) . ?
C11 C12 1.386(3) . ?
C12 C13 1.389(3) . ?
C13 C14 1.377(3) . ?
C14 C21 1.387(3) . ?
C14 C15 1.506(3) . ?
C15 O1 1.206(2) . ?
C15 C16 1.501(3) . ?
C16 C17 1.380(3) . ?
C16 C20 1.393(3) . ?
C17 C18 1.391(3) . ?
C18 C19 1.382(3) . ?
C19 N2 1.356(2) . ?
C20 N2 1.324(2) . ?
C20 C21 1.468(3) . ?
C21 N1 1.328(2) . ?
C31 C33 1.525(3) . ?
C31 C32 1.536(3) . ?
C31 P1 1.8486(19) . ?
C41 C43 1.532(3) . ?
C41 C42 1.533(3) . ?
C41 P1 1.8627(19) . ?
C51 C53 1.523(3) . ?
C51 C52 1.534(3) . ?
C51 P2 1.8470(19) . ?
C61 C62 1.527(3) . ?
C61 C63 1.533(3) . ?
C61 P2 1.8642(19) . ?
C100 F3 1.324(2) . ?
C100 F2 1.330(2) . ?
C100 F1 1.332(2) . ?
C100 S1 1.822(2) . ?
C101 Cl1 1.767(2) . ?
C101 Cl2 1.768(2) . ?
O2 S1 1.4340(16) . ?
O3 S1 1.4305(17) . ?
O4 S1 1.4426(15) . ?

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 N2 77.34(6) . . ?
N1 Ag1 P1 121.93(4) . . ?
N2 Ag1 P1 116.11(4) . . ?
N1 Ag1 P2 131.21(4) . . ?
N2 Ag1 P2 118.51(4) . . ?
P1 Ag1 P2 93.54(3) . . ?
C2 B3 C1 64.85(11) . . ?
C2 B3 B4 109.50(15) . . ?
C1 B3 B4 57.77(11) . . ?
C2 B3 B8 57.89(11) . . ?
C1 B3 B8 109.35(15) . . ?
B4 B3 B8 107.53(15) . . ?
C2 B3 B9 105.68(15) . . ?
C1 B3 B9 105.36(15) . . ?
B4 B3 B9 59.12(12) . . ?
B8 B3 B9 59.32(12) . . ?
C1 B4 B9 107.47(15) . . ?
C1 B4 B10 106.05(15) . . ?
B9 B4 B10 60.56(12) . . ?
C1 B4 B5 58.02(12) . . ?
B9 B4 B5 108.56(15) . . ?
B10 B4 B5 60.17(12) . . ?
C1 B4 B3 59.00(11) . . ?
B9 B4 B3 60.52(12) . . ?
B10 B4 B3 107.67(15) . . ?
B5 B4 B3 106.06(15) . . ?
C1 B5 B11 107.24(15) . . ?
C1 B5 B4 58.52(11) . . ?
B11 B5 B4 108.27(15) . . ?
C1 B5 B10 106.14(15) . . ?
B11 B5 B10 60.62(13) . . ?
B4 B5 B10 59.77(13) . . ?
C1 B5 B6 59.30(11) . . ?
B11 B5 B6 60.21(12) . . ?
B4 B5 B6 106.73(15) . . ?
B10 B5 B6 107.82(15) . . ?
C2 B6 C1 64.55(11) . . ?
C2 B6 B11 105.00(15) . . ?
C1 B6 B11 104.84(15) . . ?
C2 B6 B5 108.65(15) . . ?
C1 B6 B5 57.17(11) . . ?
B11 B6 B5 59.32(12) . . ?
C2 B6 B7 57.29(11) . . ?
C1 B6 B7 108.64(14) . . ?
B11 B6 B7 59.41(12) . . ?
B5 B6 B7 107.46(15) . . ?
C2 B7 B8 58.69(11) . . ?
C2 B7 B11 107.07(15) . . ?
B8 B7 B11 108.07(16) . . ?
C2 B7 B12 106.41(15) . . ?
B8 B7 B12 59.83(13) . . ?
B11 B7 B12 60.55(13) . . ?
C2 B7 B6 59.17(11) . . ?
B8 B7 B6 106.66(14) . . ?
B11 B7 B6 60.12(12) . . ?
B12 B7 B6 107.85(15) . . ?
C2 B8 B9 107.36(14) . . ?
C2 B8 B7 58.20(11) . . ?
B9 B8 B7 108.83(16) . . ?
C2 B8 B12 106.43(15) . . ?
B9 B8 B12 60.88(13) . . ?
B7 B8 B12 60.35(13) . . ?
C2 B8 B3 58.92(11) . . ?
B9 B8 B3 60.40(12) . . ?
B7 B8 B3 106.25(14) . . ?
B12 B8 B3 108.04(15) . . ?
B4 B9 B8 109.30(15) . . ?
B4 B9 B10 59.88(12) . . ?
B8 B9 B10 107.47(16) . . ?
B4 B9 B3 60.35(12) . . ?
B8 B9 B3 60.28(12) . . ?
B10 B9 B3 107.00(15) . . ?
B4 B9 B12 107.86(15) . . ?
B8 B9 B12 59.58(12) . . ?
B10 B9 B12 59.35(13) . . ?
B3 B9 B12 106.93(15) . . ?
B4 B10 B12 108.65(16) . . ?
B4 B10 B5 60.06(12) . . ?
B12 B10 B5 108.53(16) . . ?
B4 B10 B9 59.55(12) . . ?
B12 B10 B9 60.66(13) . . ?
B5 B10 B9 107.67(15) . . ?
B4 B10 B11 107.66(15) . . ?
B12 B10 B11 60.43(13) . . ?
B5 B10 B11 59.56(12) . . ?
B9 B10 B11 108.07(16) . . ?
B5 B11 B7 109.24(15) . . ?
B5 B11 B6 60.47(12) . . ?
B7 B11 B6 60.47(12) . . ?
B5 B11 B10 59.82(12) . . ?
B7 B11 B10 107.51(16) . . ?
B6 B11 B10 107.40(15) . . ?
B5 B11 B12 107.76(16) . . ?
B7 B11 B12 59.84(12) . . ?
B6 B11 B12 107.58(15) . . ?
B10 B11 B12 59.20(13) . . ?
B10 B12 B8 107.96(15) . . ?
B10 B12 B7 108.26(15) . . ?
B8 B12 B7 59.82(12) . . ?
B10 B12 B11 60.37(13) . . ?
B8 B12 B11 107.32(15) . . ?
B7 B12 B11 59.61(13) . . ?
B10 B12 B9 59.99(12) . . ?
B8 B12 B9 59.54(12) . . ?
B7 B12 B9 107.34(15) . . ?
B11 B12 B9 107.51(15) . . ?
B5 C1 B4 63.46(12) . . ?
B5 C1 B3 113.73(14) . . ?
B4 C1 B3 63.23(12) . . ?
B5 C1 B6 63.54(12) . . ?
B4 C1 B6 113.98(15) . . ?
B3 C1 B6 108.27(14) . . ?
B5 C1 C2 108.26(13) . . ?
B4 C1 C2 108.07(13) . . ?
B3 C1 C2 57.57(10) . . ?
B6 C1 C2 57.71(10) . . ?
B5 C1 P1 124.70(13) . . ?
B4 C1 P1 123.21(12) . . ?
B3 C1 P1 116.28(12) . . ?
B6 C1 P1 118.26(12) . . ?
C2 C1 P1 117.43(11) . . ?
B7 C2 B8 63.11(12) . . ?
B7 C2 B3 113.57(15) . . ?
B8 C2 B3 63.20(12) . . ?
B7 C2 B6 63.54(12) . . ?
B8 C2 B6 113.60(15) . . ?
B3 C2 B6 108.30(14) . . ?
B7 C2 C1 108.18(13) . . ?
B8 C2 C1 107.81(13) . . ?
B3 C2 C1 57.58(10) . . ?
B6 C2 C1 57.74(10) . . ?
B7 C2 P2 125.58(13) . . ?
B8 C2 P2 123.04(13) . . ?
B3 C2 P2 115.29(12) . . ?
B6 C2 P2 119.12(12) . . ?
C1 C2 P2 117.28(11) . . ?
N1 C11 C12 123.22(18) . . ?
C11 C12 C13 120.66(18) . . ?
C14 C13 C12 116.57(18) . . ?
C13 C14 C21 118.70(17) . . ?
C13 C14 C15 133.11(17) . . ?
C21 C14 C15 108.18(16) . . ?
O1 C15 C16 127.65(18) . . ?
O1 C15 C14 127.03(18) . . ?
C16 C15 C14 105.30(15) . . ?
C17 C16 C20 118.94(18) . . ?
C17 C16 C15 133.19(17) . . ?
C20 C16 C15 107.77(16) . . ?
C16 C17 C18 116.36(17) . . ?
C19 C18 C17 120.47(18) . . ?
N2 C19 C18 123.86(18) . . ?
N2 C20 C16 126.07(17) . . ?
N2 C20 C21 124.30(16) . . ?
C16 C20 C21 109.57(16) . . ?
N1 C21 C14 126.15(17) . . ?
N1 C21 C20 124.67(17) . . ?
C14 C21 C20 109.17(16) . . ?
C33 C31 C32 108.49(16) . . ?
C33 C31 P1 113.91(14) . . ?
C32 C31 P1 105.27(13) . . ?
C43 C41 C42 111.61(15) . . ?
C43 C41 P1 116.06(13) . . ?
C42 C41 P1 109.39(13) . . ?
C53 C51 C52 109.16(16) . . ?
C53 C51 P2 114.26(13) . . ?
C52 C51 P2 105.42(13) . . ?
C62 C61 C63 111.47(17) . . ?
C62 C61 P2 109.45(14) . . ?
C63 C61 P2 116.22(14) . . ?
F3 C100 F2 106.81(16) . . ?
F3 C100 F1 108.10(18) . . ?
F2 C100 F1 106.65(19) . . ?
F3 C100 S1 111.95(16) . . ?
F2 C100 S1 111.77(14) . . ?
F1 C100 S1 111.29(14) . . ?
Cl1 C101 Cl2 111.25(12) . . ?
C21 N1 C11 114.69(16) . . ?
C21 N1 Ag1 108.13(12) . . ?
C11 N1 Ag1 137.18(13) . . ?
C20 N2 C19 114.29(16) . . ?
C20 N2 Ag1 105.33(11) . . ?
C19 N2 Ag1 140.37(13) . . ?
C31 P1 C1 107.96(9) . . ?
C31 P1 C41 106.67(9) . . ?
C1 P1 C41 103.31(8) . . ?
C31 P1 Ag1 115.65(7) . . ?
C1 P1 Ag1 105.53(6) . . ?
C41 P1 Ag1 116.72(7) . . ?
C51 P2 C61 106.18(9) . . ?
C51 P2 C2 108.10(9) . . ?
C61 P2 C2 102.78(9) . . ?
C51 P2 Ag1 114.55(6) . . ?
C61 P2 Ag1 118.86(7) . . ?
C2 P2 Ag1 105.32(6) . . ?
O3 S1 O2 115.98(11) . . ?
O3 S1 O4 114.63(10) . . ?
O2 S1 O4 114.24(10) . . ?
O3 S1 C100 104.02(10) . . ?
O2 S1 C100 102.96(9) . . ?
O4 S1 C100 102.59(10) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.584
_refine_diff_density_min         -0.291
_refine_diff_density_rms         0.056
_database_code_depnum_ccdc_archive 'CCDC 976341'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ol78

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H21 Ag F3 N2 O4 P S'
_chemical_formula_weight         701.39

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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   P-1

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

_cell_length_a                   8.9627(18)
_cell_length_b                   12.895(3)
_cell_length_c                   13.264(3)
_cell_angle_alpha                84.53(3)
_cell_angle_beta                 70.92(3)
_cell_angle_gamma                76.81(3)
_cell_volume                     1410.2(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    373(2)
_cell_measurement_reflns_used    20103
_cell_measurement_theta_min      4.2673
_cell_measurement_theta_max      28.8170

_exptl_crystal_description       'Irregular prism'
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             704
_exptl_absorpt_coefficient_mu    0.905
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6126
_exptl_absorpt_correction_T_max  0.8914
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      373(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  'Xcalibur Oxford Diffraction'
_diffrn_measurement_method       ω-scans
_diffrn_detector_area_resol_mean 16.06
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            78513
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_av_sigmaI/netI    0.0098
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         4.28
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4945
_reflns_number_gt                4742
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Crysalis CCD'
_computing_cell_refinement       'Crysalis RED'
_computing_data_reduction        'Crysalis RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0187P)²+1.6245P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    riding
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4945
_refine_ls_number_parameters     379
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0217
_refine_ls_R_factor_gt           0.0204
_refine_ls_wR_factor_ref         0.0486
_refine_ls_wR_factor_gt          0.0480
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.381534(17) 0.612735(11) 0.286124(11) 0.01954(5) Uani 1 1 d . . .
C1 C 0.3045(2) 0.50728(14) 0.56946(14) 0.0169(4) Uani 1 1 d . . .
H1 H 0.3587 0.5526 0.5873 0.020 Uiso 1 1 calc R . .
C2 C 0.2376(2) 0.43609(15) 0.64751(15) 0.0181(4) Uani 1 1 d . . .
H2 H 0.2474 0.4354 0.7152 0.022 Uiso 1 1 calc R . .
C3 C 0.1560(2) 0.36598(14) 0.62492(14) 0.0173(4) Uani 1 1 d . . .
H3 H 0.1111 0.3175 0.6758 0.021 Uiso 1 1 calc R . .
C4 C 0.1456(2) 0.37238(14) 0.52277(14) 0.0155(4) Uani 1 1 d . . .
C5 C 0.0679(2) 0.31363(14) 0.46809(15) 0.0188(4) Uani 1 1 d . . .
C6 C 0.1014(2) 0.36055(14) 0.35597(15) 0.0178(4) Uani 1 1 d . . .
C7 C 0.0581(2) 0.34309(16) 0.26931(16) 0.0226(4) Uani 1 1 d . . .
H7 H 0.0032 0.2897 0.2704 0.027 Uiso 1 1 calc R . .
C8 C 0.1006(2) 0.40934(17) 0.18029(16) 0.0237(4) Uani 1 1 d . . .
H8 H 0.0730 0.4009 0.1202 0.028 Uiso 1 1 calc R . .
C9 C 0.1836(2) 0.48784(16) 0.18023(15) 0.0198(4) Uani 1 1 d . . .
H9 H 0.2100 0.5309 0.1194 0.024 Uiso 1 1 calc R . .
C10 C 0.1857(2) 0.44076(14) 0.34856(14) 0.0140(3) Uani 1 1 d . . .
C11 C 0.2159(2) 0.44686(13) 0.45035(14) 0.0137(3) Uani 1 1 d . . .
C21 C 0.2352(2) 0.88387(14) 0.28143(14) 0.0159(4) Uani 1 1 d D . .
C22 C 0.1761(2) 0.97291(15) 0.34520(15) 0.0209(4) Uani 1 1 d D . .
H22 H 0.2334 0.9867 0.3878 0.025 Uiso 1 1 calc R . .
C23 C 0.0317(2) 1.04147(16) 0.34555(17) 0.0254(4) Uani 1 1 d D . .
H23 H -0.0082 1.1004 0.3891 0.030 Uiso 1 1 calc R . .
C24 C -0.0528(2) 1.02216(16) 0.28119(16) 0.0249(4) Uani 1 1 d D . .
H24 H -0.1482 1.0689 0.2804 0.030 Uiso 1 1 calc R . .
C25 C 0.0048(2) 0.93327(17) 0.21807(16) 0.0250(4) Uani 1 1 d D . .
H25 H -0.0523 0.9201 0.1751 0.030 Uiso 1 1 calc R . .
C26 C 0.1472(2) 0.86385(15) 0.21877(14) 0.0202(4) Uani 1 1 d D . .
H26 H 0.1844 0.8035 0.1772 0.024 Uiso 1 1 calc R . .
C31 C 0.4771(2) 0.81794(14) 0.39011(14) 0.0150(4) Uani 1 1 d D . .
C32 C 0.5982(2) 0.87335(14) 0.37958(14) 0.0171(4) Uani 1 1 d D . .
H32 H 0.6498 0.9010 0.3132 0.021 Uiso 1 1 calc R . .
C33 C 0.6422(2) 0.88741(14) 0.46786(15) 0.0196(4) Uani 1 1 d D . .
H33 H 0.7234 0.9241 0.4604 0.024 Uiso 1 1 calc R . .
C34 C 0.5650(2) 0.84665(15) 0.56707(15) 0.0206(4) Uani 1 1 d D . .
H34 H 0.5947 0.8560 0.6260 0.025 Uiso 1 1 calc R . .
C35 C 0.4438(2) 0.79216(15) 0.57854(15) 0.0214(4) Uani 1 1 d D . .
H35 H 0.3916 0.7654 0.6452 0.026 Uiso 1 1 calc R . .
C36 C 0.4002(2) 0.77750(15) 0.49054(15) 0.0195(4) Uani 1 1 d D . .
H36 H 0.3192 0.7405 0.4985 0.023 Uiso 1 1 calc R . .
C41 C 0.5764(2) 0.82568(15) 0.16101(14) 0.0169(4) Uani 1 1 d D . .
C42 C 0.5711(2) 0.93022(16) 0.12256(16) 0.0236(4) Uani 1 1 d D . .
H42 H 0.4815 0.9833 0.1528 0.028 Uiso 1 1 calc R . .
C43 C 0.6999(3) 0.95516(18) 0.03879(17) 0.0304(5) Uani 1 1 d D . .
H43 H 0.6954 1.0248 0.0122 0.036 Uiso 1 1 calc R . .
C44 C 0.8345(3) 0.87715(19) -0.00509(16) 0.0303(5) Uani 1 1 d D . .
H44 H 0.9211 0.8947 -0.0602 0.036 Uiso 1 1 calc R . .
C45 C 0.8410(2) 0.77322(18) 0.03255(16) 0.0277(5) Uani 1 1 d D . .
H45 H 0.9322 0.7209 0.0034 0.033 Uiso 1 1 calc R . .
C46 C 0.7108(2) 0.74687(16) 0.11420(15) 0.0216(4) Uani 1 1 d D . .
H46 H 0.7135 0.6764 0.1377 0.026 Uiso 1 1 calc R . .
C50 C 0.5944(2) 0.31575(16) 0.08671(15) 0.0229(4) Uani 1 1 d . . .
F1 F 0.49088(15) 0.26586(11) 0.15907(10) 0.0362(3) Uani 1 1 d . . .
F2 F 0.51095(15) 0.38784(11) 0.03583(10) 0.0339(3) Uani 1 1 d . . .
F3 F 0.69439(17) 0.24438(12) 0.01551(11) 0.0454(4) Uani 1 1 d . . .
N1 N 0.29536(17) 0.51424(12) 0.46942(12) 0.0152(3) Uani 1 1 d . . .
N2 N 0.22808(17) 0.50485(12) 0.26432(11) 0.0149(3) Uani 1 1 d . . .
O1 O -0.00940(17) 0.24635(11) 0.50670(12) 0.0262(3) Uani 1 1 d . . .
O2 O 0.58454(16) 0.43933(11) 0.23212(11) 0.0262(3) Uani 1 1 d . . .
O3 O 0.80192(16) 0.28430(11) 0.18654(11) 0.0226(3) Uani 1 1 d . . .
O4 O 0.79932(18) 0.43544(13) 0.06237(12) 0.0325(4) Uani 1 1 d . . .
P1 P 0.42127(5) 0.78793(4) 0.27728(4) 0.01442(10) Uani 1 1 d . . .
S50 S 0.70855(5) 0.37596(4) 0.14823(3) 0.01600(10) Uani 1 1 d . . .


_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 N2 2.2629(16) . ?
Ag1 P1 2.3524(7) . ?
Ag1 O2 2.5339(17) . ?
Ag1 N1 2.5983(17) . ?
C1 N1 1.349(2) . ?
C1 C2 1.392(3) . ?
C2 C3 1.392(3) . ?
C3 C4 1.382(3) . ?
C4 C11 1.395(3) . ?
C4 C5 1.503(3) . ?
C5 O1 1.205(2) . ?
C5 C6 1.512(3) . ?
C6 C7 1.380(3) . ?
C6 C10 1.393(3) . ?
C7 C8 1.390(3) . ?
C8 C9 1.386(3) . ?
C9 N2 1.352(2) . ?
C10 N2 1.329(2) . ?
C10 C11 1.473(2) . ?
C11 N1 1.330(2) . ?
C21 C22 1.389(3) . ?
C21 C26 1.393(3) . ?
C21 P1 1.824(2) . ?
C22 C23 1.390(3) . ?
C23 C24 1.383(3) . ?
C24 C25 1.383(3) . ?
C25 C26 1.384(3) . ?
C31 C32 1.394(3) . ?
C31 C36 1.397(3) . ?
C31 P1 1.8243(19) . ?
C32 C33 1.391(3) . ?
C33 C34 1.388(3) . ?
C34 C35 1.384(3) . ?
C35 C36 1.387(3) . ?
C41 C42 1.391(3) . ?
C41 C46 1.394(3) . ?
C41 P1 1.8197(19) . ?
C42 C43 1.391(3) . ?
C43 C44 1.380(3) . ?
C44 C45 1.380(3) . ?
C45 C46 1.390(3) . ?
C50 F1 1.330(2) . ?
C50 F2 1.331(2) . ?
C50 F3 1.333(2) . ?
C50 S50 1.828(2) . ?
O2 S50 1.4463(15) . ?
O3 S50 1.4380(15) . ?
O4 S50 1.4350(15) . ?

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
N2 Ag1 P1 146.69(4) . . ?
N2 Ag1 O2 77.44(5) . . ?
P1 Ag1 O2 130.18(4) . . ?
N2 Ag1 N1 75.60(6) . . ?
P1 Ag1 N1 120.26(4) . . ?
O2 Ag1 N1 83.41(6) . . ?
N1 C1 C2 123.78(17) . . ?
C3 C2 C1 120.50(17) . . ?
C4 C3 C2 116.31(17) . . ?
C3 C4 C11 118.89(17) . . ?
C3 C4 C5 132.78(17) . . ?
C11 C4 C5 108.32(16) . . ?
O1 C5 C4 127.24(18) . . ?
O1 C5 C6 127.52(18) . . ?
C4 C5 C6 105.19(15) . . ?
C7 C6 C10 118.84(18) . . ?
C7 C6 C5 133.21(17) . . ?
C10 C6 C5 107.83(16) . . ?
C6 C7 C8 116.65(18) . . ?
C9 C8 C7 120.60(18) . . ?
N2 C9 C8 123.19(18) . . ?
N2 C10 C6 125.61(17) . . ?
N2 C10 C11 124.77(16) . . ?
C6 C10 C11 109.59(16) . . ?
N1 C11 C4 126.12(16) . . ?
N1 C11 C10 124.84(16) . . ?
C4 C11 C10 109.03(15) . . ?
C22 C21 C26 119.19(17) . . ?
C22 C21 P1 123.49(15) . . ?
C26 C21 P1 117.29(14) . . ?
C21 C22 C23 120.19(18) . . ?
C24 C23 C22 120.13(19) . . ?
C25 C24 C23 119.93(19) . . ?
C24 C25 C26 120.14(19) . . ?
C25 C26 C21 120.39(18) . . ?
C32 C31 C36 119.06(17) . . ?
C32 C31 P1 123.21(14) . . ?
C36 C31 P1 117.62(14) . . ?
C33 C32 C31 120.29(17) . . ?
C34 C33 C32 120.02(17) . . ?
C35 C34 C33 120.15(18) . . ?
C34 C35 C36 119.98(18) . . ?
C35 C36 C31 120.50(17) . . ?
C42 C41 C46 119.36(18) . . ?
C42 C41 P1 122.74(15) . . ?
C46 C41 P1 117.74(14) . . ?
C43 C42 C41 119.9(2) . . ?
C44 C43 C42 120.4(2) . . ?
C45 C44 C43 120.20(19) . . ?
C44 C45 C46 119.9(2) . . ?
C45 C46 C41 120.28(19) . . ?
F1 C50 F2 107.82(16) . . ?
F1 C50 F3 107.76(17) . . ?
F2 C50 F3 107.46(16) . . ?
F1 C50 S50 111.36(13) . . ?
F2 C50 S50 112.02(14) . . ?
F3 C50 S50 110.24(14) . . ?
C11 N1 C1 114.40(16) . . ?
C11 N1 Ag1 102.12(11) . . ?
C1 N1 Ag1 143.48(12) . . ?
C10 N2 C9 115.11(16) . . ?
C10 N2 Ag1 112.21(11) . . ?
C9 N2 Ag1 132.43(13) . . ?
S50 O2 Ag1 148.10(9) . . ?
C41 P1 C21 105.87(9) . . ?
C41 P1 C31 104.03(8) . . ?
C21 P1 C31 105.84(9) . . ?
C41 P1 Ag1 117.26(7) . . ?
C21 P1 Ag1 110.51(6) . . ?
C31 P1 Ag1 112.46(6) . . ?
O4 S50 O3 115.50(9) . . ?
O4 S50 O2 115.24(10) . . ?
O3 S50 O2 113.85(9) . . ?
O4 S50 C50 103.96(9) . . ?
O3 S50 C50 102.39(9) . . ?
O2 S50 C50 103.58(9) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C35 H35 O3 0.93 2.47 3.384(3) 167.2 2_666
C7 H7 O3 0.93 2.42 3.107(2) 130.1 1_455
C9 H9 O4 0.93 2.43 3.240(2) 145.0 2_665
C26 H26 F3 0.93 2.50 3.265(2) 139.1 2_665
C23 H23 O1 0.93 2.55 3.436(3) 158.8 1_565

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.429
_refine_diff_density_min         -0.388
_refine_diff_density_rms         0.050


_database_code_depnum_ccdc_archive 'CCDC 976342'
