# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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_Complex_1(kp03_07)
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H18 Ag2 F6 N4 O9 S2'
_chemical_formula_weight         900.28

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'
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           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   13.7574(9)
_cell_length_b                   11.2371(8)
_cell_length_c                   19.0368(12)
_cell_angle_alpha                90.000
_cell_angle_beta                 95.529(2)
_cell_angle_gamma                90.000
_cell_volume                     2929.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    8857
_cell_measurement_theta_min      2.64
_cell_measurement_theta_max      38.95

_exptl_crystal_description       rhomb
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1768
_exptl_absorpt_coefficient_mu    1.577
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.523
_exptl_absorpt_correction_T_max  0.729
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII 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            22092
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0160
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.34
_diffrn_reflns_theta_max         26.00
_reflns_number_total             2862
_reflns_number_gt                2803
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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.
The CF3SO3- anion was disordered over two sites with site occupancy of 0.36 and 0.64. 
 The CF3SO3- anion and H2O molecule were modelled with several DFIX restraints. 
;

_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)+(0.0206P)²+5.7462P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2862
_refine_ls_number_parameters     271
_refine_ls_number_restraints     32
_refine_ls_R_factor_all          0.0204
_refine_ls_R_factor_gt           0.0199
_refine_ls_wR_factor_ref         0.0525
_refine_ls_wR_factor_gt          0.0522
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_restrained_S_all      1.152
_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
C1 C 0.80830(15) 0.20098(18) 0.17557(10) 0.0172(4) Uani 1 1 d . . .
H1 H 0.8264 0.2765 0.1617 0.021 Uiso 1 1 calc R . .
C2 C 0.86015(14) 0.14950(17) 0.23347(10) 0.0161(4) Uani 1 1 d . . .
H2 H 0.9118 0.1898 0.2581 0.019 Uiso 1 1 calc R . .
C3 C 0.83376(14) 0.03624(17) 0.25431(10) 0.0157(4) Uani 1 1 d . . .
C4 C 0.75595(15) -0.01973(19) 0.21554(11) 0.0192(4) Uani 1 1 d . . .
H4 H 0.7369 -0.0957 0.2279 0.023 Uiso 1 1 calc R . .
C5 C 0.70720(15) 0.03769(19) 0.15876(11) 0.0204(4) Uani 1 1 d . . .
H5 H 0.6547 -0.0003 0.1337 0.024 Uiso 1 1 calc R . .
C6 C 0.89038(14) -0.02852(18) 0.31384(10) 0.0161(4) Uani 1 1 d . . .
C7 C 0.95047(14) 0.04095(17) 0.36988(10) 0.0154(4) Uani 1 1 d . . .
C8 C 0.92339(14) 0.15216(17) 0.39358(10) 0.0162(4) Uani 1 1 d . . .
H8 H 0.8653 0.1873 0.3751 0.019 Uiso 1 1 calc R . .
C9 C 0.98398(15) 0.20971(18) 0.44489(10) 0.0176(4) Uani 1 1 d . . .
H9 H 0.9656 0.2842 0.4603 0.021 Uiso 1 1 calc R . .
C10 C 1.09367(15) 0.05352(18) 0.45166(10) 0.0172(4) Uani 1 1 d . . .
H10 H 1.1512 0.0192 0.4719 0.021 Uiso 1 1 calc R . .
C11 C 1.03719(15) -0.00873(17) 0.40035(10) 0.0165(4) Uani 1 1 d . . .
H11 H 1.0569 -0.0834 0.3862 0.020 Uiso 1 1 calc R . .
C12 C 0.63149(16) 0.15156(18) 0.38942(13) 0.0312(5) Uani 1 1 d D . .
N1 N 0.73306(12) 0.14718(15) 0.13835(9) 0.0177(3) Uani 1 1 d . . .
N2 N 1.06854(12) 0.16226(15) 0.47353(8) 0.0171(3) Uani 1 1 d . . .
O1 O 0.89121(11) -0.13650(13) 0.31526(8) 0.0219(3) Uani 1 1 d . . .
S2 S 0.64405(4) 0.00370(5) 0.42645(3) 0.02116(12) Uani 1 1 d D A .
Ag1 Ag 0.655652(11) 0.244144(14) 0.054178(8) 0.02055(7) Uani 1 1 d . . .
O2 O 0.5000 -0.1299(2) 0.2500 0.0720(12) Uani 1 2 d SD . .
H2A H 0.518(4) -0.077(3) 0.2839(17) 0.108 Uiso 1 1 d D . .
O11 O 0.5708(15) -0.0612(10) 0.3815(12) 0.032(4) Uani 0.36(4) 1 d PD A 1
O12 O 0.622(2) 0.0164(12) 0.4975(5) 0.050(4) Uani 0.36(4) 1 d PD A 1
O13 O 0.7426(9) -0.0288(15) 0.4160(14) 0.026(4) Uani 0.36(4) 1 d PD A 1
F11 F 0.5420(7) 0.197(3) 0.3882(12) 0.029(3) Uani 0.36(4) 1 d PD A 1
F12 F 0.6616(10) 0.1631(13) 0.3266(5) 0.033(2) Uani 0.36(4) 1 d PD A 1
F13 F 0.6892(9) 0.2201(12) 0.4349(6) 0.044(3) Uani 0.36(4) 1 d PD A 1
O12A O 0.6399(12) 0.0241(8) 0.5005(3) 0.060(3) Uani 0.64(4) 1 d PD A 2
O11A O 0.5618(8) -0.0578(6) 0.3915(7) 0.036(2) Uani 0.64(4) 1 d PD A 2
O13A O 0.7379(6) -0.0363(9) 0.4072(8) 0.025(2) Uani 0.64(4) 1 d PD A 2
F12A F 0.6951(5) 0.2312(7) 0.4153(11) 0.084(3) Uani 0.64(4) 1 d PD A 2
F13A F 0.6382(13) 0.1447(13) 0.3193(4) 0.072(3) Uani 0.64(4) 1 d PD A 2
F11A F 0.5417(5) 0.1918(15) 0.3967(8) 0.033(2) Uani 0.64(4) 1 d PD A 2


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 N1 1.341(3) . ?
C1 C2 1.381(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.392(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.391(3) . ?
C3 C6 1.500(3) . ?
C4 C5 1.376(3) . ?
C4 H4 0.9300 . ?
C5 N1 1.348(3) . ?
C5 H5 0.9300 . ?
C6 O1 1.214(3) . ?
C6 C7 1.504(3) . ?
C7 C8 1.392(3) . ?
C7 C11 1.392(3) . ?
C8 C9 1.382(3) . ?
C8 H8 0.9300 . ?
C9 N2 1.346(3) . ?
C9 H9 0.9300 . ?
C10 N2 1.347(3) . ?
C10 C11 1.379(3) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 F12 1.309(8) . ?
C12 F12A 1.313(6) . ?
C12 F11 1.333(9) . ?
C12 F11A 1.336(5) . ?
C12 F13A 1.349(6) . ?
C12 F13 1.357(6) . ?
C12 S2 1.807(2) . ?
N1 Ag1 2.1354(17) . ?
N2 Ag1 2.1318(17) 8_556 ?
S2 O12 1.419(8) . ?
S2 O11A 1.434(5) . ?
S2 O12A 1.435(5) . ?
S2 O13 1.437(8) . ?
S2 O13A 1.447(5) . ?
S2 O11 1.454(7) . ?
Ag1 N2 2.1318(17) 8_455 ?
O2 H2A 0.891(10) . ?

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 C1 C2 123.10(19) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C1 C2 C3 118.81(18) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 118.08(18) . . ?
C4 C3 C6 119.92(18) . . ?
C2 C3 C6 121.89(18) . . ?
C5 C4 C3 119.79(19) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
N1 C5 C4 122.14(19) . . ?
N1 C5 H5 118.9 . . ?
C4 C5 H5 118.9 . . ?
O1 C6 C3 120.32(18) . . ?
O1 C6 C7 119.99(17) . . ?
C3 C6 C7 119.61(17) . . ?
C8 C7 C11 118.06(18) . . ?
C8 C7 C6 123.38(17) . . ?
C11 C7 C6 118.55(18) . . ?
C9 C8 C7 119.16(18) . . ?
C9 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
N2 C9 C8 122.66(19) . . ?
N2 C9 H9 118.7 . . ?
C8 C9 H9 118.7 . . ?
N2 C10 C11 122.37(18) . . ?
N2 C10 H10 118.8 . . ?
C11 C10 H10 118.8 . . ?
C10 C11 C7 119.58(18) . . ?
C10 C11 H11 120.2 . . ?
C7 C11 H11 120.2 . . ?
F12 C12 F12A 91.0(9) . . ?
F12 C12 F11 108.6(9) . . ?
F12A C12 F11 108.9(13) . . ?
F12 C12 F11A 116.0(12) . . ?
F12A C12 F11A 108.7(6) . . ?
F11 C12 F11A 7.5(19) . . ?
F12 C12 F13A 17.1(9) . . ?
F12A C12 F13A 107.7(5) . . ?
F11 C12 F13A 99.0(13) . . ?
F11A C12 F13A 105.9(5) . . ?
F12 C12 F13 108.0(6) . . ?
F12A C12 F13 17.5(10) . . ?
F11 C12 F13 105.9(8) . . ?
F11A C12 F13 103.4(10) . . ?
F13A C12 F13 124.9(8) . . ?
F12 C12 S2 114.9(7) . . ?
F12A C12 S2 116.4(7) . . ?
F11 C12 S2 114.6(14) . . ?
F11A C12 S2 109.0(8) . . ?
F13A C12 S2 108.7(6) . . ?
F13 C12 S2 104.1(7) . . ?
C1 N1 C5 118.09(17) . . ?
C1 N1 Ag1 118.05(14) . . ?
C5 N1 Ag1 123.75(14) . . ?
C9 N2 C10 118.14(17) . . ?
C9 N2 Ag1 120.01(14) . 8_556 ?
C10 N2 Ag1 121.80(13) . 8_556 ?
O12 S2 O11A 105.2(16) . . ?
O12 S2 O12A 10.3(17) . . ?
O11A S2 O12A 115.4(5) . . ?
O12 S2 O13 116.4(7) . . ?
O11A S2 O13 121.8(15) . . ?
O12A S2 O13 107.7(16) . . ?
O12 S2 O13A 123.1(15) . . ?
O11A S2 O13A 114.6(4) . . ?
O12A S2 O13A 114.8(5) . . ?
O13 S2 O13A 7.7(17) . . ?
O12 S2 O11 114.4(7) . . ?
O11A S2 O11 9.4(17) . . ?
O12A S2 O11 124.6(15) . . ?
O13 S2 O11 113.7(7) . . ?
O13A S2 O11 106.3(15) . . ?
O12 S2 C12 105.0(5) . . ?
O11A S2 C12 102.7(3) . . ?
O12A S2 C12 103.0(4) . . ?
O13 S2 C12 103.6(6) . . ?
O13A S2 C12 103.9(3) . . ?
O11 S2 C12 101.3(5) . . ?
N2 Ag1 N1 175.71(6) 8_455 . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.426
_refine_diff_density_min         -0.503
_refine_diff_density_rms         0.069
_database_code_depnum_ccdc_archive 'CCDC 982462'
#######################################################################
#
#                 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_Complex_2(kp03_11c)
# start Validation Reply Form
_vrf_PLAT780_Complex_2kp03_11c   
;
PROBLEM: Coordinates do not Form a Properly Connected Set     Please Do ! 
RESPONSE: The atoms comprising the ligand are connected to each other and the donor atoms
of this molecule are connected to the Ag atoms. The atoms comprising the ClO4- 
counteranion are fully connected, and are proximate to the Ag-containing
moiety. 

;
# end Validation Reply Form 
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H18 Ag2 Cl2 N4 O11'
_chemical_formula_weight         801.04

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   C2/c

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

_cell_length_a                   12.4586(5)
_cell_length_b                   9.8846(4)
_cell_length_c                   21.2874(9)
_cell_angle_alpha                90.000
_cell_angle_beta                 102.7935(18)
_cell_angle_gamma                90.000
_cell_volume                     2556.6(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    9878
_cell_measurement_theta_min      3.35
_cell_measurement_theta_max      36.79

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.081
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1576
_exptl_absorpt_coefficient_mu    1.811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6863
_exptl_absorpt_correction_T_max  0.7472
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            39118
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_sigmaI/netI    0.0217
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.96
_diffrn_reflns_theta_max         36.89
_reflns_number_total             6449
_reflns_number_gt                5860
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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)+(0.0750P)²+1.9767P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6449
_refine_ls_number_parameters     189
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_ref         0.1269
_refine_ls_wR_factor_gt          0.0923
_refine_ls_goodness_of_fit_ref   1.209
_refine_ls_restrained_S_all      1.209
_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
C1 C 0.70164(14) -0.27034(18) 0.35442(8) 0.0150(3) Uani 1 1 d . . .
H1 H 0.6713 -0.1858 0.3587 0.018 Uiso 1 1 calc R . .
C2 C 0.65774(13) -0.34730(17) 0.30045(8) 0.0134(2) Uani 1 1 d . . .
H2 H 0.5987 -0.3151 0.2693 0.016 Uiso 1 1 calc R . .
C3 C 0.70342(13) -0.47375(17) 0.29352(8) 0.0131(2) Uani 1 1 d . . .
C4 C 0.79217(15) -0.51716(19) 0.34125(9) 0.0175(3) Uani 1 1 d . . .
H4 H 0.8251 -0.6004 0.3377 0.021 Uiso 1 1 calc R . .
C5 C 0.83074(15) -0.43467(19) 0.39397(9) 0.0172(3) Uani 1 1 d . . .
H5 H 0.8896 -0.4645 0.4259 0.021 Uiso 1 1 calc R . .
C6 C 0.65559(14) -0.56951(17) 0.23975(8) 0.0137(3) Uani 1 1 d . . .
C7 C 0.59383(13) -0.51376(17) 0.17670(8) 0.0128(2) Uani 1 1 d . . .
C8 C 0.50548(14) -0.58722(17) 0.14074(8) 0.0145(3) Uani 1 1 d . . .
H8 H 0.4874 -0.6718 0.1545 0.017 Uiso 1 1 calc R . .
C9 C 0.44537(15) -0.53120(18) 0.08405(8) 0.0150(3) Uani 1 1 d . . .
H9 H 0.3855 -0.5789 0.0604 0.018 Uiso 1 1 calc R . .
C10 C 0.55996(15) -0.34327(18) 0.09464(8) 0.0151(3) Uani 1 1 d . . .
H10 H 0.5800 -0.2624 0.0780 0.018 Uiso 1 1 calc R . .
C11 C 0.62328(14) -0.39132(18) 0.15233(8) 0.0140(3) Uani 1 1 d . . .
H11 H 0.6841 -0.3430 0.1743 0.017 Uiso 1 1 calc R . .
N1 N 0.78631(14) -0.31315(15) 0.40076(8) 0.0154(3) Uani 1 1 d . . .
N2 N 0.47053(13) -0.40964(16) 0.06182(7) 0.0145(2) Uani 1 1 d . . .
O1 O 0.66436(15) -0.69122(13) 0.24847(8) 0.0196(3) Uani 1 1 d . . .
O2 O 1.0000 -0.4264(3) 0.7500 0.0346(6) Uani 1 2 d S . .
H2A H 0.972(4) -0.450(4) 0.720(2) 0.041 Uiso 1 1 d . . .
O11 O 0.75247(13) -0.54273(19) 0.53887(9) 0.0264(3) Uani 1 1 d . . .
O12 O 0.92374(14) -0.43143(15) 0.56026(9) 0.0232(3) Uani 1 1 d . . .
O13 O 0.88380(15) -0.59105(19) 0.63429(8) 0.0262(3) Uani 1 1 d . . .
O14 O 0.91312(15) -0.66341(17) 0.53377(9) 0.0252(3) Uani 1 1 d . . .
Cl1 Cl 0.86827(3) -0.55823(4) 0.56664(2) 0.01469(8) Uani 1 1 d . . .
Ag1 Ag 0.865966(12) -0.191435(14) 0.481217(6) 0.01713(6) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 N1 1.343(2) . ?
C1 C2 1.386(2) . ?
C1 H1 0.9300 . ?
C2 C3 1.395(2) . ?
C2 H2 0.9300 . ?
C3 C4 1.393(2) . ?
C3 C6 1.503(2) . ?
C4 C5 1.384(3) . ?
C4 H4 0.9300 . ?
C5 N1 1.344(2) . ?
C5 H5 0.9300 . ?
C6 O1 1.218(2) . ?
C6 C7 1.497(2) . ?
C7 C8 1.397(2) . ?
C7 C11 1.397(2) . ?
C8 C9 1.387(2) . ?
C8 H8 0.9300 . ?
C9 N2 1.353(2) . ?
C9 H9 0.9300 . ?
C10 N2 1.347(2) . ?
C10 C11 1.388(2) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
N1 Ag1 2.1478(17) . ?
N2 Ag1 2.1562(16) 8_445 ?
O2 H2A 0.70(4) . ?
O11 Cl1 1.4411(17) . ?
O12 Cl1 1.4521(17) . ?
O13 Cl1 1.4467(17) . ?
O14 Cl1 1.4339(17) . ?
Ag1 N2 2.1562(16) 8_546 ?
Ag1 Ag1 3.3695(11) 7_646 ?

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 C1 C2 122.52(16) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C1 C2 C3 118.97(16) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 H2 120.5 . . ?
C4 C3 C2 118.38(16) . . ?
C4 C3 C6 118.56(15) . . ?
C2 C3 C6 122.87(15) . . ?
C5 C4 C3 119.13(17) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
N1 C5 C4 122.44(17) . . ?
N1 C5 H5 118.8 . . ?
C4 C5 H5 118.8 . . ?
O1 C6 C7 120.74(16) . . ?
O1 C6 C3 119.92(16) . . ?
C7 C6 C3 119.30(15) . . ?
C8 C7 C11 119.12(15) . . ?
C8 C7 C6 119.09(15) . . ?
C11 C7 C6 121.79(15) . . ?
C9 C8 C7 118.51(16) . . ?
C9 C8 H8 120.7 . . ?
C7 C8 H8 120.7 . . ?
N2 C9 C8 122.44(16) . . ?
N2 C9 H9 118.8 . . ?
C8 C9 H9 118.8 . . ?
N2 C10 C11 122.33(16) . . ?
N2 C10 H10 118.8 . . ?
C11 C10 H10 118.8 . . ?
C10 C11 C7 118.70(16) . . ?
C10 C11 H11 120.7 . . ?
C7 C11 H11 120.7 . . ?
C1 N1 C5 118.55(16) . . ?
C1 N1 Ag1 123.93(12) . . ?
C5 N1 Ag1 117.25(13) . . ?
C10 N2 C9 118.69(15) . . ?
C10 N2 Ag1 118.13(12) . 8_445 ?
C9 N2 Ag1 122.94(12) . 8_445 ?
O14 Cl1 O11 109.87(11) . . ?
O14 Cl1 O13 110.03(11) . . ?
O11 Cl1 O13 109.46(11) . . ?
O14 Cl1 O12 109.59(11) . . ?
O11 Cl1 O12 108.90(11) . . ?
O13 Cl1 O12 108.97(11) . . ?
N1 Ag1 N2 170.12(6) . 8_546 ?
N1 Ag1 Ag1 74.20(5) . 7_646 ?
N2 Ag1 Ag1 111.66(4) 8_546 7_646 ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        36.89
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.573
_refine_diff_density_min         -1.687
_refine_diff_density_rms         0.389
_database_code_depnum_ccdc_archive 'CCDC 982463'
#######################################################################
#
#                 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_Complex_3(kp03_49a)

# start Validation Reply Form
_vrf_PLAT780_Complex_3kp03_49a   
;
PROBLEM: Coordinates do not Form a Properly Connected Set     Please Do ! 
RESPONSE: The atoms comprising the ligand are connected to each other and the donor atoms
of this molecule are connected to the Ag atoms. The atoms comprising the CH3CN molecules 
and the ClO4- counteranions are fully connected, and are proximate to the Ag-containing
moiety. 
;
_vrf_PLAT420_Complex_3kp03_49a   
;
PROBLEM: D-H Without Acceptor       O3     -   H3B    ...     Please Check 
RESPONSE: See refinement special details
;
# end Validation Reply Form 
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H27 Ag2 Cl2 N7 O11'
_chemical_formula_weight         924.21

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

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                   7.5345(3)
_cell_length_b                   19.1191(10)
_cell_length_c                   23.0434(11)
_cell_angle_alpha                90
_cell_angle_beta                 92.045(1)
_cell_angle_gamma                90
_cell_volume                     3317.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    9643
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      25.35

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.85
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1840
_exptl_absorpt_coefficient_mu    1.412
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6359
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'

_exptl_special_details           
;
;

_diffrn_ambient_temperature      90(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 APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            39984
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_sigmaI/netI    0.0328
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.38
_diffrn_reflns_theta_max         25.51
_reflns_number_total             6105
_reflns_number_gt                5056
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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.
When attempted to model H2O molecule engaging with 
O3-H3B...O22 H-bonding interaction we found that the restrained S all 
parameter refined to 9.916 and the C-C precision dropped from 0.0063 to 0.056.
This suggested to us an undue bias of the structure. H3B atom was involved in weak 
bifurcated H-bonding to the O atoms of two adjacent ClO4- anions.   
;

_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)+(0.0371P)²+12.7661P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6105
_refine_ls_number_parameters     460
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0620
_refine_ls_R_factor_gt           0.0495
_refine_ls_wR_factor_ref         0.1157
_refine_ls_wR_factor_gt          0.1094
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.015
_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
C1 C 1.0258(6) 0.7708(2) 0.05181(19) 0.0248(10) Uani 1 1 d . . .
H1 H 1.0782 0.7270 0.0561 0.030 Uiso 1 1 calc R . .
C2 C 1.0077(6) 0.7986(2) -0.00332(17) 0.0207(9) Uani 1 1 d . . .
H2 H 1.0469 0.7740 -0.0353 0.025 Uiso 1 1 calc R . .
C3 C 0.9292(5) 0.8644(2) -0.01004(17) 0.0189(9) Uani 1 1 d . . .
C4 C 0.8764(6) 0.8995(2) 0.03956(18) 0.0220(9) Uani 1 1 d . . .
H4 H 0.8267 0.9440 0.0367 0.026 Uiso 1 1 calc R . .
C5 C 0.8989(6) 0.8673(2) 0.09287(19) 0.0269(10) Uani 1 1 d . . .
H5 H 0.8620 0.8908 0.1256 0.032 Uiso 1 1 calc R . .
C6 C 0.9030(6) 0.9004(2) -0.06767(18) 0.0229(9) Uani 1 1 d . . .
C7 C 0.9286(6) 0.8619(2) -0.12347(18) 0.0216(9) Uani 1 1 d . . .
C8 C 0.8719(6) 0.7936(2) -0.13345(18) 0.0227(9) Uani 1 1 d . . .
H8 H 0.8203 0.7681 -0.1041 0.027 Uiso 1 1 calc R . .
C9 C 0.8933(6) 0.7642(2) -0.18736(19) 0.0261(10) Uani 1 1 d . . .
H9 H 0.8537 0.7187 -0.1937 0.031 Uiso 1 1 calc R . .
C10 C 1.0223(6) 0.8647(2) -0.22134(18) 0.0264(10) Uani 1 1 d . . .
H10 H 1.0737 0.8890 -0.2514 0.032 Uiso 1 1 calc R . .
C11 C 1.0045(6) 0.8982(2) -0.16895(18) 0.0244(10) Uani 1 1 d . . .
H11 H 1.0424 0.9442 -0.1639 0.029 Uiso 1 1 calc R . .
C12 C 0.3974(6) 0.7627(2) -0.18064(19) 0.0263(10) Uani 1 1 d . . .
H12 H 0.3661 0.7160 -0.1857 0.032 Uiso 1 1 calc R . .
C13 C 0.3807(6) 0.7925(2) -0.12648(18) 0.0237(10) Uani 1 1 d . . .
H13 H 0.3379 0.7663 -0.0960 0.028 Uiso 1 1 calc R . .
C14 C 0.4285(6) 0.8620(2) -0.11810(17) 0.0212(9) Uani 1 1 d . . .
C15 C 0.4872(6) 0.8996(2) -0.16567(18) 0.0239(9) Uani 1 1 d . . .
H15 H 0.5170 0.9467 -0.1619 0.029 Uiso 1 1 calc R . .
C16 C 0.5004(6) 0.8660(2) -0.21843(18) 0.0272(10) Uani 1 1 d . . .
H16 H 0.5411 0.8910 -0.2499 0.033 Uiso 1 1 calc R . .
C17 C 0.4079(6) 0.9008(2) -0.06207(19) 0.0244(10) Uani 1 1 d . . .
C18 C 0.4329(6) 0.8645(2) -0.00433(17) 0.0200(9) Uani 1 1 d . . .
C19 C 0.5096(6) 0.7988(2) 0.00266(18) 0.0208(9) Uani 1 1 d . . .
H19 H 0.5526 0.7747 -0.0290 0.025 Uiso 1 1 calc R . .
C20 C 0.5206(6) 0.7698(2) 0.05808(18) 0.0255(10) Uani 1 1 d . . .
H20 H 0.5701 0.7255 0.0626 0.031 Uiso 1 1 calc R . .
C21 C 0.3948(6) 0.8670(2) 0.09828(19) 0.0265(10) Uani 1 1 d . . .
H21 H 0.3582 0.8909 0.1309 0.032 Uiso 1 1 calc R . .
C22 C 0.3765(6) 0.8990(2) 0.04497(18) 0.0235(9) Uani 1 1 d . . .
H22 H 0.3267 0.9435 0.0419 0.028 Uiso 1 1 calc R . .
C23 C 1.1795(7) 0.9051(3) 0.2572(2) 0.0389(12) Uani 1 1 d . . .
C24 C 1.1784(8) 0.9681(3) 0.2922(3) 0.0510(15) Uani 1 1 d . . .
H24A H 1.2773 0.9673 0.3196 0.076 Uiso 1 1 calc R . .
H24B H 1.0697 0.9704 0.3127 0.076 Uiso 1 1 calc R . .
H24C H 1.1874 1.0083 0.2676 0.076 Uiso 1 1 calc R . .
C25 C 0.2508(6) 0.5966(3) 0.1220(2) 0.0306(11) Uani 1 1 d . . .
C26 C 0.3120(8) 0.5342(3) 0.0929(2) 0.0447(14) Uani 1 1 d . . .
H26A H 0.2118 0.5093 0.0763 0.067 Uiso 1 1 calc R . .
H26B H 0.3746 0.5047 0.1204 0.067 Uiso 1 1 calc R . .
H26C H 0.3900 0.5473 0.0627 0.067 Uiso 1 1 calc R . .
C27 C 0.2597(7) 0.1186(3) 0.3888(3) 0.0433(13) Uani 1 1 d . . .
C28 C 0.1981(10) 0.0934(3) 0.4451(3) 0.0576(17) Uani 1 1 d . . .
H28A H 0.2737 0.1117 0.4758 0.086 Uiso 1 1 calc R . .
H28B H 0.2020 0.0432 0.4459 0.086 Uiso 1 1 calc R . .
H28C H 0.0784 0.1088 0.4501 0.086 Uiso 1 1 calc R . .
N1 N 0.9719(5) 0.80353(19) 0.09967(15) 0.0246(8) Uani 1 1 d . . .
N2 N 0.9682(5) 0.79788(19) -0.23106(15) 0.0254(8) Uani 1 1 d . . .
N3 N 0.4564(5) 0.7020(2) 0.27403(15) 0.0257(8) Uani 1 1 d . . .
N4 N 0.4634(5) 0.80262(19) 0.10511(15) 0.0253(8) Uani 1 1 d . . .
N5 N 1.1830(6) 0.8549(2) 0.23059(19) 0.0398(10) Uani 1 1 d . . .
N6 N 0.2038(6) 0.6452(2) 0.14527(18) 0.0375(10) Uani 1 1 d . . .
N7 N 0.3068(6) 0.1393(3) 0.34691(19) 0.0432(11) Uani 1 1 d . . .
O1 O 0.8624(5) 0.96199(17) -0.06979(14) 0.0352(8) Uani 1 1 d . . .
O2 O 0.3688(5) 0.96229(17) -0.06365(14) 0.0359(8) Uani 1 1 d . . .
O3 O 0.6817(6) 0.6619(2) 0.9281(2) 0.0585(12) Uani 1 1 d D . .
H3B H 0.763(5) 0.639(3) 0.915(3) 0.070 Uiso 1 1 d D . .
H3A H 0.600(5) 0.634(3) 0.931(3) 0.070 Uiso 1 1 d D . .
O11 O 0.1323(7) 0.6580(2) 0.89350(18) 0.0633(12) Uani 1 1 d . . .
O12 O 0.3512(5) 0.5776(2) 0.9214(2) 0.0627(13) Uani 1 1 d . . .
O13 O 0.0673(6) 0.5667(2) 0.9553(2) 0.0714(14) Uani 1 1 d . . .
O14 O 0.2530(6) 0.6585(2) 0.98815(17) 0.0577(11) Uani 1 1 d . . .
O21 O 0.4731(8) 0.4557(3) 0.2590(4) 0.157(4) Uani 1 1 d . . .
O22 O 0.2618(12) 0.4143(3) 0.1919(2) 0.137(3) Uani 1 1 d . . .
O23 O 0.3021(7) 0.3584(2) 0.27781(19) 0.0657(13) Uani 1 1 d . . .
O24 O 0.1819(6) 0.4696(2) 0.2775(2) 0.0698(13) Uani 1 1 d . . .
Cl1 Cl 0.19998(17) 0.61520(6) 0.93941(5) 0.0324(3) Uani 1 1 d . . .
Cl2 Cl 0.30709(18) 0.42545(6) 0.24996(5) 0.0375(3) Uani 1 1 d . . .
Ag1 Ag 1.01056(6) 0.75530(2) 0.186003(14) 0.03606(13) Uani 1 1 d . . .
Ag2 Ag 0.47336(5) 0.75143(2) 0.189536(14) 0.03411(13) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 N1 1.343(6) . ?
C1 C2 1.379(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.398(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.396(6) . ?
C3 C6 1.503(6) . ?
C4 C5 1.379(6) . ?
C4 H4 0.9300 . ?
C5 N1 1.345(6) . ?
C5 H5 0.9300 . ?
C6 O1 1.216(5) . ?
C6 C7 1.500(6) . ?
C7 C8 1.391(6) . ?
C7 C11 1.396(6) . ?
C8 C9 1.378(6) . ?
C8 H8 0.9300 . ?
C9 N2 1.337(6) . ?
C9 H9 0.9300 . ?
C10 N2 1.358(6) . ?
C10 C11 1.377(6) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 N3 1.333(6) 4_575 ?
C12 C13 1.382(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.388(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.396(6) . ?
C14 C17 1.502(6) . ?
C15 C16 1.382(6) . ?
C15 H15 0.9300 . ?
C16 N3 1.350(6) 4_575 ?
C16 H16 0.9300 . ?
C17 O2 1.213(5) . ?
C17 C18 1.506(6) . ?
C18 C19 1.390(6) . ?
C18 C22 1.393(6) . ?
C19 C20 1.392(6) . ?
C19 H19 0.9300 . ?
C20 N4 1.337(6) . ?
C20 H20 0.9300 . ?
C21 N4 1.342(6) . ?
C21 C22 1.375(6) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 N5 1.139(7) . ?
C23 C24 1.451(8) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 N6 1.134(6) . ?
C25 C26 1.453(7) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 N7 1.113(7) . ?
C27 C28 1.474(8) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
N1 Ag1 2.203(4) . ?
N2 Ag1 2.198(3) 4_575 ?
N3 C12 1.333(6) 4_576 ?
N3 C16 1.350(6) 4_576 ?
N3 Ag2 2.172(4) . ?
N4 Ag2 2.177(4) . ?
N5 Ag1 2.505(4) . ?
O3 H3B 0.81(2) . ?
O3 H3A 0.81(2) . ?
O11 Cl1 1.418(4) . ?
O12 Cl1 1.421(4) . ?
O13 Cl1 1.421(4) . ?
O14 Cl1 1.440(4) . ?
O21 Cl2 1.387(6) . ?
O22 Cl2 1.386(5) . ?
O23 Cl2 1.435(4) . ?
O24 Cl2 1.431(4) . ?
Ag1 N2 2.198(3) 4_576 ?

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 C1 C2 123.7(4) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C1 C2 C3 118.4(4) . . ?
C1 C2 H2 120.8 . . ?
C3 C2 H2 120.8 . . ?
C4 C3 C2 118.3(4) . . ?
C4 C3 C6 118.1(4) . . ?
C2 C3 C6 123.5(4) . . ?
C5 C4 C3 119.0(4) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N1 C5 C4 123.1(4) . . ?
N1 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
O1 C6 C7 118.7(4) . . ?
O1 C6 C3 120.2(4) . . ?
C7 C6 C3 121.0(4) . . ?
C8 C7 C11 118.3(4) . . ?
C8 C7 C6 123.7(4) . . ?
C11 C7 C6 117.9(4) . . ?
C9 C8 C7 119.1(4) . . ?
C9 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
N2 C9 C8 123.3(4) . . ?
N2 C9 H9 118.4 . . ?
C8 C9 H9 118.4 . . ?
N2 C10 C11 123.0(4) . . ?
N2 C10 H10 118.5 . . ?
C11 C10 H10 118.5 . . ?
C10 C11 C7 118.8(4) . . ?
C10 C11 H11 120.6 . . ?
C7 C11 H11 120.6 . . ?
N3 C12 C13 122.9(4) 4_575 . ?
N3 C12 H12 118.6 4_575 . ?
C13 C12 H12 118.6 . . ?
C12 C13 C14 119.2(4) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
C13 C14 C15 118.2(4) . . ?
C13 C14 C17 123.9(4) . . ?
C15 C14 C17 117.8(4) . . ?
C16 C15 C14 119.0(4) . . ?
C16 C15 H15 120.5 . . ?
C14 C15 H15 120.5 . . ?
N3 C16 C15 122.4(4) 4_575 . ?
N3 C16 H16 118.8 4_575 . ?
C15 C16 H16 118.8 . . ?
O2 C17 C14 119.0(4) . . ?
O2 C17 C18 119.7(4) . . ?
C14 C17 C18 121.3(4) . . ?
C19 C18 C22 118.1(4) . . ?
C19 C18 C17 123.8(4) . . ?
C22 C18 C17 118.0(4) . . ?
C18 C19 C20 118.5(4) . . ?
C18 C19 H19 120.7 . . ?
C20 C19 H19 120.7 . . ?
N4 C20 C19 123.1(4) . . ?
N4 C20 H20 118.5 . . ?
C19 C20 H20 118.5 . . ?
N4 C21 C22 122.7(4) . . ?
N4 C21 H21 118.7 . . ?
C22 C21 H21 118.7 . . ?
C21 C22 C18 119.5(4) . . ?
C21 C22 H22 120.2 . . ?
C18 C22 H22 120.2 . . ?
N5 C23 C24 178.4(6) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N6 C25 C26 179.3(5) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N7 C27 C28 178.2(6) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C1 N1 C5 117.5(4) . . ?
C1 N1 Ag1 120.8(3) . . ?
C5 N1 Ag1 121.7(3) . . ?
C9 N2 C10 117.5(4) . . ?
C9 N2 Ag1 120.7(3) . 4_575 ?
C10 N2 Ag1 121.8(3) . 4_575 ?
C12 N3 C16 118.3(4) 4_576 4_576 ?
C12 N3 Ag2 120.9(3) 4_576 . ?
C16 N3 Ag2 120.8(3) 4_576 . ?
C20 N4 C21 118.0(4) . . ?
C20 N4 Ag2 120.8(3) . . ?
C21 N4 Ag2 121.2(3) . . ?
C23 N5 Ag1 147.0(4) . . ?
H3B O3 H3A 106(3) . . ?
O11 Cl1 O12 110.1(3) . . ?
O11 Cl1 O13 109.3(3) . . ?
O12 Cl1 O13 108.9(3) . . ?
O11 Cl1 O14 109.4(3) . . ?
O12 Cl1 O14 108.4(3) . . ?
O13 Cl1 O14 110.7(3) . . ?
O22 Cl2 O21 113.5(5) . . ?
O22 Cl2 O24 112.1(4) . . ?
O21 Cl2 O24 107.0(3) . . ?
O22 Cl2 O23 106.5(3) . . ?
O21 Cl2 O23 110.1(4) . . ?
O24 Cl2 O23 107.5(3) . . ?
N2 Ag1 N1 163.80(14) 4_576 . ?
N2 Ag1 N5 94.84(14) 4_576 . ?
N1 Ag1 N5 95.87(14) . . ?
N3 Ag2 N4 174.59(14) . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        25.51
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         1.002
_refine_diff_density_min         -0.661
_refine_diff_density_rms         0.100
_database_code_depnum_ccdc_archive 'CCDC 982464'
#######################################################################
#
#                 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_Complex_4(kp03_10h)
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H25 Ag2 Cl2 N7 O10'
_chemical_formula_weight         906.19

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

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                   7.8231(5)
_cell_length_b                   18.8411(11)
_cell_length_c                   22.8612(13)
_cell_angle_alpha                90.000
_cell_angle_beta                 90.874(3)
_cell_angle_gamma                90.000
_cell_volume                     3369.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    9961
_cell_measurement_theta_min      2.8016
_cell_measurement_theta_max      27.1347

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.787
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1800
_exptl_absorpt_coefficient_mu    1.387
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5760
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'

_exptl_special_details           
;
 Analysis of the X-ray data indicated that crystals might carry a well-defined twin.
However, a twin law that superimposed all or half of the reflections could not be found.
The twinning was evident in both data collections for 4.  As a result the precision of 
the data for 4 was not high.
;

_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            38976
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_sigmaI/netI    0.0394
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.80
_diffrn_reflns_theta_max         28.28
_reflns_number_total             8285
_reflns_number_gt                6571
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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.
Both the ClO4- anions were disordered with the site occupancy of 0.50. The disordered 
 ClO4- anions were modelled with a series of DELU, SIMU and DFIX restraints.
;

_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)+(0.0720P)²+22.2009P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8285
_refine_ls_number_parameters     522
_refine_ls_number_restraints     106
_refine_ls_R_factor_all          0.0838
_refine_ls_R_factor_gt           0.0687
_refine_ls_wR_factor_ref         0.1792
_refine_ls_wR_factor_gt          0.1704
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.078
_refine_ls_shift/su_max          0.004
_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
N6 N 0.7841(8) 0.3277(3) 0.3454(2) 0.0391(13) Uani 1 1 d . . .
C1 C 0.5563(8) 0.3435(3) 0.2190(2) 0.0255(12) Uani 1 1 d . . .
H1 H 0.6011 0.3663 0.2518 0.031 Uiso 1 1 calc R . .
C2 C 0.5219(7) 0.3833(3) 0.1695(2) 0.0232(11) Uani 1 1 d . . .
H2 H 0.5418 0.4320 0.1694 0.028 Uiso 1 1 calc R . .
C3 C 0.4575(7) 0.3497(3) 0.1200(2) 0.0187(10) Uani 1 1 d . . .
C4 C 0.4259(7) 0.2776(3) 0.1227(2) 0.0214(10) Uani 1 1 d . . .
H4 H 0.3808 0.2536 0.0904 0.026 Uiso 1 1 calc R . .
C5 C 0.4630(8) 0.2412(3) 0.1749(2) 0.0236(11) Uani 1 1 d . . .
H5 H 0.4410 0.1927 0.1765 0.028 Uiso 1 1 calc R . .
C6 C 0.4158(7) 0.1053(3) 0.5673(2) 0.0200(10) Uani 1 1 d . . .
C7 C 0.4640(7) 0.1304(3) 0.5069(2) 0.0174(9) Uani 1 1 d . . .
C8 C 0.4151(7) 0.0892(3) 0.4591(2) 0.0194(10) Uani 1 1 d . . .
H8 H 0.3555 0.0471 0.4646 0.023 Uiso 1 1 calc R . .
C9 C 0.4561(7) 0.1114(3) 0.4032(2) 0.0234(11) Uani 1 1 d . . .
H9 H 0.4247 0.0829 0.3717 0.028 Uiso 1 1 calc R . .
C10 C 0.5882(7) 0.2120(3) 0.4390(2) 0.0231(11) Uani 1 1 d . . .
H10 H 0.6468 0.2541 0.4324 0.028 Uiso 1 1 calc R . .
C11 C 0.5548(7) 0.1924(3) 0.4963(2) 0.0189(10) Uani 1 1 d . . .
H11 H 0.5929 0.2205 0.5273 0.023 Uiso 1 1 calc R . .
C12 C 1.0746(8) 0.3495(3) 0.2220(2) 0.0263(12) Uani 1 1 d . . .
H12 H 1.1306 0.3723 0.2528 0.032 Uiso 1 1 calc R . .
C13 C 1.0389(7) 0.3876(3) 0.1718(2) 0.0225(11) Uani 1 1 d . . .
H13 H 1.0675 0.4354 0.1696 0.027 Uiso 1 1 calc R . .
C14 C 0.9599(7) 0.3539(3) 0.1248(2) 0.0170(9) Uani 1 1 d . . .
C15 C 0.9170(7) 0.2823(3) 0.1308(2) 0.0221(10) Uani 1 1 d . . .
H15 H 0.8642 0.2578 0.1001 0.026 Uiso 1 1 calc R . .
C16 C 0.9549(7) 0.2484(3) 0.1835(2) 0.0232(11) Uani 1 1 d . . .
H16 H 0.9245 0.2009 0.1874 0.028 Uiso 1 1 calc R . .
C17 C 0.9165(7) 0.1031(3) 0.5713(2) 0.0191(10) Uani 1 1 d . . .
C18 C 0.9615(6) 0.1306(3) 0.5117(2) 0.0171(9) Uani 1 1 d . . .
C19 C 0.9126(7) 0.0914(3) 0.4627(2) 0.0204(10) Uani 1 1 d . . .
H19 H 0.8556 0.0484 0.4669 0.024 Uiso 1 1 calc R . .
C20 C 0.9499(7) 0.1170(3) 0.4075(2) 0.0232(11) Uani 1 1 d . . .
H20 H 0.9147 0.0907 0.3750 0.028 Uiso 1 1 calc R . .
C21 C 1.0856(7) 0.2153(3) 0.4464(2) 0.0234(11) Uani 1 1 d . . .
H21 H 1.1459 0.2573 0.4410 0.028 Uiso 1 1 calc R . .
C22 C 1.0517(7) 0.1934(3) 0.5033(2) 0.0196(10) Uani 1 1 d . . .
H22 H 1.0887 0.2204 0.5351 0.023 Uiso 1 1 calc R . .
C23 C 1.2610(8) 0.0772(3) 0.2463(2) 0.0271(12) Uani 1 1 d . . .
C24 C 1.2543(13) 0.0133(4) 0.2133(4) 0.055(2) Uani 1 1 d . . .
H24A H 1.3684 -0.0026 0.2057 0.082 Uiso 1 1 calc R . .
H24B H 1.1949 0.0218 0.1769 0.082 Uiso 1 1 calc R . .
H24C H 1.1949 -0.0224 0.2350 0.082 Uiso 1 1 calc R . .
C25 C 0.8659(8) 0.3664(4) 0.3717(3) 0.0355(14) Uani 1 1 d . . .
C26 C 0.9698(10) 0.4160(4) 0.4044(4) 0.0462(17) Uani 1 1 d . . .
H26A H 1.0213 0.4491 0.3780 0.069 Uiso 1 1 calc R . .
H26B H 1.0578 0.3907 0.4254 0.069 Uiso 1 1 calc R . .
H26C H 0.8998 0.4412 0.4315 0.069 Uiso 1 1 calc R . .
C27 C 1.3676(9) 0.3680(4) 0.3742(3) 0.0361(14) Uani 1 1 d . . .
C28 C 1.4420(12) 0.4293(5) 0.4039(3) 0.061(3) Uani 1 1 d . . .
H28A H 1.3658 0.4454 0.4336 0.092 Uiso 1 1 calc R . .
H28B H 1.4595 0.4667 0.3761 0.092 Uiso 1 1 calc R . .
H28C H 1.5496 0.4162 0.4215 0.092 Uiso 1 1 calc R . .
N1 N 0.5278(6) 0.2727(2) 0.2219(2) 0.0239(10) Uani 1 1 d . . .
N2 N 0.5390(6) 0.1723(2) 0.39275(19) 0.0222(9) Uani 1 1 d . . .
N3 N 1.0320(7) 0.2802(3) 0.2284(2) 0.0257(10) Uani 1 1 d . . .
N4 N 1.0343(6) 0.1779(2) 0.39872(19) 0.0241(10) Uani 1 1 d . . .
N5 N 1.2690(9) 0.1298(3) 0.2722(2) 0.0449(15) Uani 1 1 d . . .
N7 N 1.3044(7) 0.3216(3) 0.3510(2) 0.0329(11) Uani 1 1 d . . .
O1 O 0.3422(6) 0.0500(2) 0.57338(17) 0.0276(9) Uani 1 1 d . . .
O2 O 0.8458(6) 0.0469(2) 0.57687(17) 0.0289(9) Uani 1 1 d . . .
Cl1 Cl 0.25949(18) 0.55381(7) 0.25751(6) 0.0272(3) Uani 1 1 d D . .
O11A O 0.0949(14) 0.5824(9) 0.2371(7) 0.069(4) Uani 0.50 1 d PDU A 1
O12A O 0.338(2) 0.6108(6) 0.2850(6) 0.074(5) Uani 0.50 1 d PDU A 1
O13A O 0.231(2) 0.4932(5) 0.2884(6) 0.070(4) Uani 0.50 1 d PDU A 1
O14A O 0.345(2) 0.5382(9) 0.2038(5) 0.073(6) Uani 0.50 1 d PDU A 1
O11B O 0.176(2) 0.6144(8) 0.2304(8) 0.101(7) Uani 0.50 1 d PDU A 2
O12B O 0.3490(19) 0.5833(7) 0.3065(5) 0.063(4) Uani 0.50 1 d PDU A 2
O13B O 0.1170(15) 0.5127(6) 0.2791(6) 0.059(3) Uani 0.50 1 d PDU A 2
O14B O 0.357(2) 0.5187(11) 0.2195(10) 0.170(16) Uani 0.50 1 d PDU A 2
Cl2A Cl 0.2608(18) 0.1071(8) 0.0569(7) 0.047(2) Uani 0.50 1 d PD B 1
O21A O 0.397(2) 0.0993(6) 0.0933(6) 0.099(6) Uani 0.50 1 d PDU B 1
O22A O 0.2269(17) 0.0423(5) 0.0258(4) 0.044(3) Uani 0.50 1 d PDU B 1
O23A O 0.108(2) 0.1198(11) 0.0893(7) 0.122(8) Uani 0.50 1 d PDU B 1
O24A O 0.284(3) 0.1633(8) 0.0170(7) 0.061(8) Uani 0.50 1 d PDU B 1
Cl2B Cl 0.2182(18) 0.1050(8) 0.0564(7) 0.047(2) Uani 0.50 1 d PD C 2
O21B O 0.188(2) 0.1382(8) 0.1097(6) 0.078(6) Uani 0.50 1 d PDU C 2
O22B O 0.334(3) 0.0523(10) 0.0596(9) 0.143(8) Uani 0.50 1 d PDU C 2
O23B O 0.056(3) 0.0728(11) 0.0383(10) 0.170(9) Uani 0.50 1 d PDU C 2
O24B O 0.257(3) 0.1575(10) 0.0143(9) 0.075(9) Uani 0.50 1 d PDU C 2
Ag1 Ag 0.56189(7) 0.21536(2) 0.304402(18) 0.03230(15) Uani 1 1 d . . .
Ag2 Ag 1.09072(8) 0.22255(3) 0.311134(18) 0.03998(17) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.265 0.631 0.463 34 18 ' '
2 0.265 0.869 -0.037 34 17 ' '
3 0.734 0.131 0.037 34 18 ' '
4 0.734 0.369 0.537 34 18 ' '
_platon_squeeze_details          
;
The PLATON SQUEEZE procedure was used to treat regions of diffuse
solvent which could not be sensibly modelled in terms of atomic
sites. Their contribution to the diffraction pattern was removed
and modified F(obs)**2 written to a new HKL file. 
Total electron count is 70 electrons in a total void volume of 141 Å³.
The number of electrons thus located are included in the
formula, formula weight, calculated density, mu and F(000).
This residual electron density was assigned to one molecule of MeCN solvent
[70/4 = 17.5 e per asymmetric unit; CH3CN = 22 e]
;

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
N6 C25 1.134(9) . ?
C1 N1 1.353(7) . ?
C1 C2 1.380(7) . ?
C1 H1 0.9300 . ?
C2 C3 1.385(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.382(7) . ?
C3 C6 1.505(7) 4_565 ?
C4 C5 1.404(7) . ?
C4 H4 0.9300 . ?
C5 N1 1.323(7) . ?
C5 H5 0.9300 . ?
C6 O1 1.199(6) . ?
C6 C3 1.505(7) 4_566 ?
C6 C7 1.513(7) . ?
C7 C8 1.388(7) . ?
C7 C11 1.390(7) . ?
C8 C9 1.387(7) . ?
C8 H8 0.9300 . ?
C9 N2 1.342(7) . ?
C9 H9 0.9300 . ?
C10 N2 1.347(7) . ?
C10 C11 1.390(7) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 N3 1.356(7) . ?
C12 C13 1.377(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.385(7) . ?
C13 H13 0.9300 . ?
C14 C15 1.397(7) . ?
C14 C17 1.502(7) 4_565 ?
C15 C16 1.392(7) . ?
C15 H15 0.9300 . ?
C16 N3 1.326(7) . ?
C16 H16 0.9300 . ?
C17 O2 1.201(6) . ?
C17 C14 1.502(7) 4_566 ?
C17 C18 1.504(7) . ?
C18 C19 1.390(7) . ?
C18 C22 1.394(7) . ?
C19 C20 1.387(7) . ?
C19 H19 0.9300 . ?
C20 N4 1.341(7) . ?
C20 H20 0.9300 . ?
C21 N4 1.354(7) . ?
C21 C22 1.393(7) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 N5 1.156(8) . ?
C23 C24 1.420(9) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.440(11) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 N7 1.131(9) . ?
C27 C28 1.457(10) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
N1 Ag1 2.186(4) . ?
N2 Ag1 2.186(4) . ?
N3 Ag2 2.223(5) . ?
N4 Ag2 2.222(4) . ?
N5 Ag2 2.415(6) . ?
Cl1 O14B 1.340(11) . ?
Cl1 O13A 1.363(9) . ?
Cl1 O12A 1.384(10) . ?
Cl1 O12B 1.424(10) . ?
Cl1 O14A 1.435(9) . ?
Cl1 O11B 1.450(12) . ?
Cl1 O13B 1.450(9) . ?
Cl1 O11A 1.466(10) . ?
Cl2A O21A 1.351(14) . ?
Cl2A O24A 1.411(14) . ?
Cl2A O22A 1.435(14) . ?
Cl2A O23A 1.434(15) . ?
Cl2B O22B 1.346(14) . ?
Cl2B O21B 1.393(14) . ?
Cl2B O24B 1.416(14) . ?
Cl2B O23B 1.460(16) . ?

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 C1 C2 123.1(5) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C1 C2 C3 118.9(5) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 H2 120.5 . . ?
C4 C3 C2 118.5(5) . . ?
C4 C3 C6 123.5(5) . 4_565 ?
C2 C3 C6 117.9(5) . 4_565 ?
C3 C4 C5 118.9(5) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
N1 C5 C4 122.9(5) . . ?
N1 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
O1 C6 C3 119.7(5) . 4_566 ?
O1 C6 C7 120.2(5) . . ?
C3 C6 C7 120.1(4) 4_566 . ?
C8 C7 C11 117.9(4) . . ?
C8 C7 C6 118.3(4) . . ?
C11 C7 C6 123.8(4) . . ?
C9 C8 C7 119.4(5) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
N2 C9 C8 122.8(5) . . ?
N2 C9 H9 118.6 . . ?
C8 C9 H9 118.6 . . ?
N2 C10 C11 122.5(5) . . ?
N2 C10 H10 118.8 . . ?
C11 C10 H10 118.8 . . ?
C10 C11 C7 119.4(5) . . ?
C10 C11 H11 120.3 . . ?
C7 C11 H11 120.3 . . ?
N3 C12 C13 123.0(5) . . ?
N3 C12 H12 118.5 . . ?
C13 C12 H12 118.5 . . ?
C12 C13 C14 119.3(5) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
C13 C14 C15 118.2(5) . . ?
C13 C14 C17 118.5(5) . 4_565 ?
C15 C14 C17 123.2(4) . 4_565 ?
C16 C15 C14 118.6(5) . . ?
C16 C15 H15 120.7 . . ?
C14 C15 H15 120.7 . . ?
N3 C16 C15 123.4(5) . . ?
N3 C16 H16 118.3 . . ?
C15 C16 H16 118.3 . . ?
O2 C17 C14 119.1(5) . 4_566 ?
O2 C17 C18 120.9(5) . . ?
C14 C17 C18 120.0(4) 4_566 . ?
C19 C18 C22 118.2(5) . . ?
C19 C18 C17 118.8(5) . . ?
C22 C18 C17 122.9(4) . . ?
C20 C19 C18 119.4(5) . . ?
C20 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
N4 C20 C19 123.0(5) . . ?
N4 C20 H20 118.5 . . ?
C19 C20 H20 118.5 . . ?
N4 C21 C22 122.6(5) . . ?
N4 C21 H21 118.7 . . ?
C22 C21 H21 118.7 . . ?
C21 C22 C18 119.0(5) . . ?
C21 C22 H22 120.5 . . ?
C18 C22 H22 120.5 . . ?
N5 C23 C24 178.4(7) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N6 C25 C26 179.3(8) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N7 C27 C28 177.5(8) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C5 N1 C1 117.6(5) . . ?
C5 N1 Ag1 121.2(4) . . ?
C1 N1 Ag1 120.8(4) . . ?
C9 N2 C10 117.9(5) . . ?
C9 N2 Ag1 121.9(4) . . ?
C10 N2 Ag1 119.6(4) . . ?
C16 N3 C12 117.5(5) . . ?
C16 N3 Ag2 121.5(4) . . ?
C12 N3 Ag2 121.0(4) . . ?
C20 N4 C21 117.8(5) . . ?
C20 N4 Ag2 124.3(4) . . ?
C21 N4 Ag2 117.9(4) . . ?
C23 N5 Ag2 141.5(6) . . ?
O14B Cl1 O13A 91.2(13) . . ?
O14B Cl1 O12A 115.0(12) . . ?
O13A Cl1 O12A 119.3(8) . . ?
O14B Cl1 O12B 115.1(11) . . ?
O13A Cl1 O12B 90.1(8) . . ?
O12A Cl1 O12B 29.6(7) . . ?
O14B Cl1 O14A 21.3(14) . . ?
O13A Cl1 O14A 110.6(8) . . ?
O12A Cl1 O14A 109.7(9) . . ?
O12B Cl1 O14A 121.5(12) . . ?
O14B Cl1 O11B 111.6(12) . . ?
O13A Cl1 O11B 143.6(10) . . ?
O12A Cl1 O11B 77.2(10) . . ?
O12B Cl1 O11B 104.0(8) . . ?
O14A Cl1 O11B 90.4(11) . . ?
O14B Cl1 O13B 114.0(9) . . ?
O13A Cl1 O13B 40.8(7) . . ?
O12A Cl1 O13B 126.8(8) . . ?
O12B Cl1 O13B 108.2(8) . . ?
O14A Cl1 O13B 123.4(10) . . ?
O11B Cl1 O13B 102.8(9) . . ?
O14B Cl1 O11A 118.8(14) . . ?
O13A Cl1 O11A 108.9(8) . . ?
O12A Cl1 O11A 104.1(9) . . ?
O12B Cl1 O11A 121.7(10) . . ?
O14A Cl1 O11A 102.7(8) . . ?
O11B Cl1 O11A 35.5(8) . . ?
O13B Cl1 O11A 68.2(7) . . ?
O21A Cl2A O24A 111.8(13) . . ?
O21A Cl2A O22A 110.5(11) . . ?
O24A Cl2A O22A 110.1(12) . . ?
O21A Cl2A O23A 110.7(13) . . ?
O24A Cl2A O23A 109.0(12) . . ?
O22A Cl2A O23A 104.4(12) . . ?
O22B Cl2B O21B 114.0(14) . . ?
O22B Cl2B O24B 113.6(13) . . ?
O21B Cl2B O24B 108.8(13) . . ?
O22B Cl2B O23B 106.9(13) . . ?
O21B Cl2B O23B 106.0(13) . . ?
O24B Cl2B O23B 107.0(13) . . ?
N1 Ag1 N2 165.83(18) . . ?
N4 Ag2 N3 155.55(18) . . ?
N4 Ag2 N5 100.50(18) . . ?
N3 Ag2 N5 98.78(19) . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        28.28
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         2.541
_refine_diff_density_min         -1.304
_refine_diff_density_rms         0.151
_database_code_depnum_ccdc_archive 'CCDC 982465'
#######################################################################
#
#                 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_Complex_5(kp03_43A)

# start Validation Reply Form
_vrf_PLAT021_Complex_5kp03_43a   
;
PROBLEM: Ratio Unique / Expected Reflections too High ...      7.751       
RESPONSE: The data set were not merged to resolve twinning issue.
See experimental special details
;
_vrf_PLAT221_Complex_5kp03_43a   
;
PROBLEM: Large Solv./Anion  C     Ueq(max)/Ueq(min) Range        8.2 Ratio 
RESPONSE: The CH3CN molecule was disordered. 
See refine special details
;
# end Validation Reply Form 
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H28 Ag2 F12 N8 O2 P2'
_chemical_formula_weight         1038.26

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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   P2(1)/c

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                   7.9890(5)
_cell_length_b                   22.9536(15)
_cell_length_c                   20.1547(15)
_cell_angle_alpha                90
_cell_angle_beta                 91.046(3)
_cell_angle_gamma                90
_cell_volume                     3695.3(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    9915
_cell_measurement_theta_min      2.2
_cell_measurement_theta_max      26.35

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.66
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.12
_exptl_crystal_density_diffrn    1.861
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2036
_exptl_absorpt_coefficient_mu    1.249
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4927
_exptl_absorpt_correction_T_max  0.8645
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'

_exptl_special_details           
;
The crystals were of poor quality.  Two different data sets were collected and solved, 
both of which were of poor quality because of weakly diffracting crystals. 
The solution reported herein represents the best quality solution.  
;

_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            58540
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0529
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.34
_diffrn_reflns_theta_max         26.39
_reflns_number_total             58540
_reflns_number_gt                48549
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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.
A CH3CN molecule was disordered and the C and N atoms of this molecule were refined
isotropically and the hydrogen atoms of this molecule were not placed.
The disordered CH3CN molecule was modelled with site occupancy of 0.6 and 0.4 using SAME 
command and modelled with a series of DFIX and FLAT restraints. 
;

_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)+(0.1147P)²+14.0278P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         58540
_refine_ls_number_parameters     502
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0694
_refine_ls_wR_factor_ref         0.2414
_refine_ls_wR_factor_gt          0.2074
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_restrained_S_all      1.156
_refine_ls_shift/su_max          0.007
_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 0.22253(3) 0.504417(10) -0.001717(15) 0.02910(9) Uani 1 1 d . . .
Ag2 Ag 0.28338(3) 1.002754(10) -0.007451(16) 0.03093(9) Uani 1 1 d . . .
C1 C 0.3467(4) 0.37813(13) -0.01434(18) 0.0247(7) Uani 1 1 d . . .
H1 H 0.3850 0.3860 0.0297 0.030 Uiso 1 1 calc R . .
C2 C 0.3768(4) 0.32383(14) -0.04011(18) 0.0287(8) Uani 1 1 d . . .
H2 H 0.4328 0.2949 -0.0144 0.034 Uiso 1 1 calc R . .
C3 C 0.3234(4) 0.31229(13) -0.10489(18) 0.0257(8) Uani 1 1 d . . .
C4 C 0.2376(4) 0.35585(13) -0.14063(17) 0.0253(7) Uani 1 1 d . . .
H4 H 0.1984 0.3490 -0.1847 0.030 Uiso 1 1 calc R . .
C5 C 0.2115(4) 0.40879(13) -0.11027(17) 0.0242(7) Uani 1 1 d . . .
H5 H 0.1525 0.4382 -0.1341 0.029 Uiso 1 1 calc R . .
C6 C 0.3626(5) 0.25689(16) -0.1413(2) 0.0421(11) Uani 1 1 d . . .
C7 C 0.3303(4) 0.19802(13) -0.10957(18) 0.0243(8) Uani 1 1 d . . .
C8 C 0.3732(4) 0.14861(13) -0.14445(17) 0.0246(7) Uani 1 1 d . . .
H8 H 0.4201 0.1520 -0.1872 0.030 Uiso 1 1 calc R . .
C9 C 0.3483(4) 0.09527(14) -0.11752(18) 0.0255(8) Uani 1 1 d . . .
H9 H 0.3767 0.0618 -0.1426 0.031 Uiso 1 1 calc R . .
C10 C 0.2397(4) 0.13581(13) -0.02277(16) 0.0219(7) Uani 1 1 d . . .
H10 H 0.1930 0.1315 0.0200 0.026 Uiso 1 1 calc R . .
C11 C 0.2586(4) 0.19113(13) -0.04794(16) 0.0223(7) Uani 1 1 d . . .
H11 H 0.2231 0.2241 -0.0234 0.027 Uiso 1 1 calc R . .
N2 N 0.2842(3) 0.08780(11) -0.05588(14) 0.0243(6) Uani 1 1 d . . .
C12 C 0.2564(4) 0.59932(14) 0.10778(17) 0.0244(7) Uani 1 1 d . . .
H21 H 0.3007 0.5678 0.1331 0.029 Uiso 1 1 calc R . .
C13 C 0.2331(4) 0.65234(13) 0.13920(17) 0.0256(7) Uani 1 1 d . . .
H22 H 0.2593 0.6568 0.1851 0.031 Uiso 1 1 calc R . .
C14 C 0.1698(4) 0.69961(13) 0.10169(17) 0.0222(7) Uani 1 1 d . . .
C15 C 0.1307(4) 0.69028(14) 0.03449(17) 0.0242(7) Uani 1 1 d . . .
H24 H 0.0873 0.7210 0.0077 0.029 Uiso 1 1 calc R . .
C16 C 0.1564(4) 0.63585(13) 0.00789(18) 0.0237(7) Uani 1 1 d . . .
H25 H 0.1287 0.6298 -0.0376 0.028 Uiso 1 1 calc R . .
C17 C 0.1338(4) 0.75650(14) 0.13611(19) 0.0260(8) Uani 1 1 d . . .
C18 C 0.1729(4) 0.81276(13) 0.10095(17) 0.0201(7) Uani 1 1 d . . .
C19 C 0.1131(4) 0.86463(13) 0.12780(18) 0.0276(8) Uani 1 1 d . . .
H28 H 0.0495 0.8638 0.1672 0.033 Uiso 1 1 calc R . .
C20 C 0.1460(4) 0.91683(14) 0.09742(18) 0.0285(8) Uani 1 1 d . . .
H29 H 0.1057 0.9517 0.1168 0.034 Uiso 1 1 calc R . .
C21 C 0.2939(4) 0.87038(13) 0.01604(16) 0.0223(7) Uani 1 1 d . . .
H30 H 0.3586 0.8724 -0.0230 0.027 Uiso 1 1 calc R . .
C22 C 0.2672(4) 0.81634(13) 0.04392(17) 0.0228(7) Uani 1 1 d . . .
H31 H 0.3124 0.7822 0.0245 0.027 Uiso 1 1 calc R . .
N5 N 0.0277(3) 0.46558(12) 0.09247(16) 0.0282(7) Uani 1 1 d . . .
C23 C 0.0325(3) 0.44793(14) 0.14510(18) 0.0222(7) Uani 1 1 d . . .
C24 C 0.0356(4) 0.42545(16) 0.21300(17) 0.0299(8) Uani 1 1 d . . .
H42A H 0.0091 0.4570 0.2439 0.036 Uiso 1 1 calc R . .
H42B H 0.1472 0.4100 0.2237 0.036 Uiso 1 1 calc R . .
H42C H -0.0475 0.3943 0.2169 0.036 Uiso 1 1 calc R . .
N7 N 0.4803(3) 1.04287(12) 0.09036(15) 0.0247(6) Uani 1 1 d . . .
C27 C 0.4798(3) 1.06308(14) 0.14155(18) 0.0215(7) Uani 1 1 d . . .
C28 C 0.4846(4) 1.08901(15) 0.20751(18) 0.0296(8) Uani 1 1 d . . .
H52A H 0.4117 1.0669 0.2369 0.036 Uiso 1 1 calc R . .
H52B H 0.4459 1.1295 0.2048 0.036 Uiso 1 1 calc R . .
H52C H 0.5997 1.0881 0.2252 0.036 Uiso 1 1 calc R . .
N6 N 0.4699(4) 0.73139(16) 0.41931(19) 0.0537(10) Uani 1 1 d D . .
C25 C 0.3905(5) 0.74366(17) 0.3747(2) 0.0381(10) Uani 1 1 d D . .
C26 C 0.2897(5) 0.75789(17) 0.3176(2) 0.0417(10) Uani 1 1 d D . .
H62A H 0.2047 0.7276 0.3105 0.050 Uiso 1 1 calc R . .
H62B H 0.3607 0.7604 0.2786 0.050 Uiso 1 1 calc R . .
H62C H 0.2345 0.7955 0.3246 0.050 Uiso 1 1 calc R . .
N8A N 0.0897(8) 0.2836(3) 0.0862(4) 0.081(2) Uiso 0.60 1 d PD A 1
C29A C 0.1475(5) 0.2731(2) 0.1337(2) 0.0170(11) Uiso 0.60 1 d PD A 1
N8B N 0.0458(6) 0.2333(2) 0.0853(3) 0.0155(13) Uiso 0.40 1 d PD A 2
C29B C 0.1176(11) 0.2419(5) 0.1308(6) 0.140(8) Uiso 0.40 1 d PD A 2
C30 C 0.2218(7) 0.2576(3) 0.1939(3) 0.105(2) Uiso 1 1 d D . .
N1 N 0.2670(3) 0.42057(11) -0.04727(14) 0.0237(6) Uani 1 1 d . . .
N3 N 0.2195(3) 0.59036(11) 0.04352(14) 0.0233(6) Uani 1 1 d . . .
N4 N 0.2338(3) 0.92016(11) 0.04100(14) 0.0225(6) Uani 1 1 d . . .
O1 O 0.4289(5) 0.25926(11) -0.19407(18) 0.0818(13) Uani 1 1 d . . .
O2 O 0.0693(3) 0.75630(10) 0.18999(13) 0.0357(6) Uani 1 1 d . . .
P1 P 0.46245(9) 0.56849(4) -0.17616(5) 0.0234(2) Uani 1 1 d . . .
F11 F 0.3406(2) 0.60015(8) -0.12512(10) 0.0343(5) Uani 1 1 d . . .
F12 F 0.3774(2) 0.60376(10) -0.23633(11) 0.0482(6) Uani 1 1 d . . .
F13 F 0.5973(2) 0.61951(9) -0.16507(12) 0.0442(6) Uani 1 1 d . . .
F14 F 0.5463(2) 0.53276(9) -0.11597(13) 0.0489(6) Uani 1 1 d . . .
F15 F 0.3282(2) 0.51771(8) -0.18646(11) 0.0324(5) Uani 1 1 d . . .
F16 F 0.5841(2) 0.53716(10) -0.22705(13) 0.0493(6) Uani 1 1 d . . .
P2 P 0.02055(9) 0.92082(4) -0.16680(5) 0.0233(2) Uani 1 1 d . . .
F21 F 0.0755(3) 0.90731(15) -0.23976(13) 0.0872(11) Uani 1 1 d . . .
F22 F 0.1619(2) 0.87803(9) -0.13885(14) 0.0507(7) Uani 1 1 d . . .
F23 F -0.1106(3) 0.86901(9) -0.16793(17) 0.0790(11) Uani 1 1 d . . .
F24 F -0.1207(2) 0.96400(8) -0.19423(11) 0.0317(5) Uani 1 1 d . . .
F25 F 0.1507(2) 0.97302(9) -0.16365(12) 0.0418(6) Uani 1 1 d . . .
F26 F -0.0328(3) 0.93543(11) -0.09274(12) 0.0570(7) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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 2.164(2) . ?
Ag1 N3 2.173(3) . ?
Ag1 N5 2.632(3) . ?
Ag2 N4 2.172(3) . ?
Ag2 N2 2.182(3) 1_565 ?
C1 N1 1.334(4) . ?
C1 C2 1.373(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.392(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.404(4) . ?
C3 C6 1.504(5) . ?
C4 C5 1.378(4) . ?
C4 H4 0.9500 . ?
C5 N1 1.364(4) . ?
C5 H5 0.9500 . ?
C6 O1 1.198(5) . ?
C6 C7 1.519(5) . ?
C7 C8 1.381(4) . ?
C7 C11 1.386(4) . ?
C8 C9 1.355(4) . ?
C8 H8 0.9500 . ?
C9 N2 1.363(4) . ?
C9 H9 0.9500 . ?
C10 N2 1.340(4) . ?
C10 C11 1.377(4) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
N2 Ag2 2.183(3) 1_545 ?
C12 N3 1.339(4) . ?
C12 C13 1.386(4) . ?
C12 H21 0.9500 . ?
C13 C14 1.411(4) . ?
C13 H22 0.9500 . ?
C14 C15 1.401(5) . ?
C14 C17 1.509(4) . ?
C15 C16 1.376(4) . ?
C15 H24 0.9500 . ?
C16 N3 1.359(4) . ?
C16 H25 0.9500 . ?
C17 O2 1.210(4) . ?
C17 C18 1.508(4) . ?
C18 C22 1.388(4) . ?
C18 C19 1.396(4) . ?
C19 C20 1.373(4) . ?
C19 H28 0.9500 . ?
C20 N4 1.349(4) . ?
C20 H29 0.9500 . ?
C21 N4 1.341(4) . ?
C21 C22 1.380(4) . ?
C21 H30 0.9500 . ?
C22 H31 0.9500 . ?
N5 C23 1.135(4) . ?
C23 C24 1.462(5) . ?
C24 H42A 0.9800 . ?
C24 H42B 0.9800 . ?
C24 H42C 0.9800 . ?
N7 C27 1.131(4) . ?
C27 C28 1.456(5) . ?
C28 H52A 0.9800 . ?
C28 H52B 0.9800 . ?
C28 H52C 0.9800 . ?
N6 C25 1.126(5) . ?
C25 C26 1.431(6) . ?
C26 H62A 0.9800 . ?
C26 H62B 0.9800 . ?
C26 H62C 0.9800 . ?
N8A C29A 1.082(8) . ?
C29A C30 1.387(7) . ?
N8B C29B 1.092(10) . ?
C29B C30 1.549(10) . ?
P1 F15 1.5950(18) . ?
P1 F16 1.597(2) . ?
P1 F12 1.599(2) . ?
P1 F14 1.601(2) . ?
P1 F11 1.6029(19) . ?
P1 F13 1.6037(19) . ?
P2 F21 1.573(3) . ?
P2 F23 1.585(2) . ?
P2 F25 1.587(2) . ?
P2 F22 1.592(2) . ?
P2 F24 1.5935(19) . ?
P2 F26 1.595(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
N1 Ag1 N3 171.14(9) . . ?
N1 Ag1 N5 96.23(9) . . ?
N3 Ag1 N5 89.64(9) . . ?
N4 Ag2 N2 169.63(9) . 1_565 ?
N1 C1 C2 124.0(3) . . ?
N1 C1 H1 118.0 . . ?
C2 C1 H1 118.0 . . ?
C1 C2 C3 118.4(3) . . ?
C1 C2 H2 120.8 . . ?
C3 C2 H2 120.8 . . ?
C2 C3 C4 119.0(3) . . ?
C2 C3 C6 123.7(3) . . ?
C4 C3 C6 117.1(3) . . ?
C5 C4 C3 118.5(3) . . ?
C5 C4 H4 120.8 . . ?
C3 C4 H4 120.8 . . ?
N1 C5 C4 122.6(3) . . ?
N1 C5 H5 118.7 . . ?
C4 C5 H5 118.7 . . ?
O1 C6 C3 119.6(3) . . ?
O1 C6 C7 119.7(3) . . ?
C3 C6 C7 120.5(3) . . ?
C8 C7 C11 118.2(3) . . ?
C8 C7 C6 118.1(3) . . ?
C11 C7 C6 123.7(3) . . ?
C9 C8 C7 119.9(3) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C8 C9 N2 122.6(3) . . ?
C8 C9 H9 118.7 . . ?
N2 C9 H9 118.7 . . ?
N2 C10 C11 122.9(3) . . ?
N2 C10 H10 118.6 . . ?
C11 C10 H10 118.6 . . ?
C10 C11 C7 119.0(3) . . ?
C10 C11 H11 120.5 . . ?
C7 C11 H11 120.5 . . ?
C10 N2 C9 117.3(3) . . ?
C10 N2 Ag2 120.7(2) . 1_545 ?
C9 N2 Ag2 121.6(2) . 1_545 ?
N3 C12 C13 123.2(3) . . ?
N3 C12 H21 118.4 . . ?
C13 C12 H21 118.4 . . ?
C12 C13 C14 118.7(3) . . ?
C12 C13 H22 120.7 . . ?
C14 C13 H22 120.7 . . ?
C15 C14 C13 118.2(3) . . ?
C15 C14 C17 122.4(3) . . ?
C13 C14 C17 119.2(3) . . ?
C16 C15 C14 118.9(3) . . ?
C16 C15 H24 120.6 . . ?
C14 C15 H24 120.6 . . ?
N3 C16 C15 123.2(3) . . ?
N3 C16 H25 118.4 . . ?
C15 C16 H25 118.4 . . ?
O2 C17 C18 121.3(3) . . ?
O2 C17 C14 119.8(3) . . ?
C18 C17 C14 118.8(3) . . ?
C22 C18 C19 117.7(3) . . ?
C22 C18 C17 124.0(3) . . ?
C19 C18 C17 118.2(3) . . ?
C20 C19 C18 120.1(3) . . ?
C20 C19 H28 119.9 . . ?
C18 C19 H28 119.9 . . ?
N4 C20 C19 122.2(3) . . ?
N4 C20 H29 118.9 . . ?
C19 C20 H29 118.9 . . ?
N4 C21 C22 123.6(3) . . ?
N4 C21 H30 118.2 . . ?
C22 C21 H30 118.2 . . ?
C21 C22 C18 118.7(3) . . ?
C21 C22 H31 120.6 . . ?
C18 C22 H31 120.6 . . ?
C23 N5 Ag1 141.7(2) . . ?
N5 C23 C24 179.0(3) . . ?
C23 C24 H42A 109.5 . . ?
C23 C24 H42B 109.5 . . ?
H42A C24 H42B 109.5 . . ?
C23 C24 H42C 109.5 . . ?
H42A C24 H42C 109.5 . . ?
H42B C24 H42C 109.5 . . ?
N7 C27 C28 178.3(3) . . ?
C27 C28 H52A 109.5 . . ?
C27 C28 H52B 109.5 . . ?
H52A C28 H52B 109.5 . . ?
C27 C28 H52C 109.5 . . ?
H52A C28 H52C 109.5 . . ?
H52B C28 H52C 109.5 . . ?
N6 C25 C26 178.7(5) . . ?
C25 C26 H62A 109.5 . . ?
C25 C26 H62B 109.5 . . ?
H62A C26 H62B 109.5 . . ?
C25 C26 H62C 109.5 . . ?
H62A C26 H62C 109.5 . . ?
H62B C26 H62C 109.5 . . ?
N8A C29A C30 178.0(7) . . ?
N8B C29B C30 176.8(12) . . ?
C29A C30 C29B 29.2(4) . . ?
C1 N1 C5 117.5(3) . . ?
C1 N1 Ag1 121.3(2) . . ?
C5 N1 Ag1 121.2(2) . . ?
C12 N3 C16 117.8(3) . . ?
C12 N3 Ag1 122.8(2) . . ?
C16 N3 Ag1 118.8(2) . . ?
C21 N4 C20 117.6(3) . . ?
C21 N4 Ag2 120.4(2) . . ?
C20 N4 Ag2 122.0(2) . . ?
F15 P1 F16 90.17(11) . . ?
F15 P1 F12 89.76(12) . . ?
F16 P1 F12 89.77(14) . . ?
F15 P1 F14 89.73(12) . . ?
F16 P1 F14 90.28(13) . . ?
F12 P1 F14 179.49(13) . . ?
F15 P1 F11 90.01(10) . . ?
F16 P1 F11 179.80(13) . . ?
F12 P1 F11 90.16(12) . . ?
F14 P1 F11 89.80(13) . . ?
F15 P1 F13 179.48(14) . . ?
F16 P1 F13 90.18(10) . . ?
F12 P1 F13 90.63(12) . . ?
F14 P1 F13 89.88(12) . . ?
F11 P1 F13 89.64(11) . . ?
F21 P2 F23 91.98(18) . . ?
F21 P2 F25 89.56(16) . . ?
F23 P2 F25 178.46(17) . . ?
F21 P2 F22 90.04(15) . . ?
F23 P2 F22 90.39(11) . . ?
F25 P2 F22 89.52(11) . . ?
F21 P2 F24 90.36(14) . . ?
F23 P2 F24 89.87(11) . . ?
F25 P2 F24 90.21(10) . . ?
F22 P2 F24 179.51(14) . . ?
F21 P2 F26 178.97(18) . . ?
F23 P2 F26 89.05(16) . . ?
F25 P2 F26 89.41(13) . . ?
F22 P2 F26 89.92(14) . . ?
F24 P2 F26 89.68(12) . . ?

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 C1 C2 C3 1.0(5) . . . . ?
C1 C2 C3 C4 -1.5(4) . . . . ?
C1 C2 C3 C6 173.9(3) . . . . ?
C2 C3 C4 C5 0.8(4) . . . . ?
C6 C3 C4 C5 -175.0(3) . . . . ?
C3 C4 C5 N1 0.6(4) . . . . ?
C2 C3 C6 O1 -125.2(5) . . . . ?
C4 C3 C6 O1 50.3(6) . . . . ?
C2 C3 C6 C7 50.4(5) . . . . ?
C4 C3 C6 C7 -134.0(4) . . . . ?
O1 C6 C7 C8 -2.5(6) . . . . ?
C3 C6 C7 C8 -178.1(3) . . . . ?
O1 C6 C7 C11 178.2(4) . . . . ?
C3 C6 C7 C11 2.5(6) . . . . ?
C11 C7 C8 C9 -1.5(5) . . . . ?
C6 C7 C8 C9 179.2(3) . . . . ?
C7 C8 C9 N2 -1.2(5) . . . . ?
N2 C10 C11 C7 -1.5(5) . . . . ?
C8 C7 C11 C10 2.7(5) . . . . ?
C6 C7 C11 C10 -177.9(3) . . . . ?
C11 C10 N2 C9 -1.0(4) . . . . ?
C11 C10 N2 Ag2 171.3(2) . . . 1_545 ?
C8 C9 N2 C10 2.4(5) . . . . ?
C8 C9 N2 Ag2 -169.9(2) . . . 1_545 ?
N3 C12 C13 C14 -1.0(4) . . . . ?
C12 C13 C14 C15 1.1(4) . . . . ?
C12 C13 C14 C17 176.3(3) . . . . ?
C13 C14 C15 C16 -0.3(4) . . . . ?
C17 C14 C15 C16 -175.4(3) . . . . ?
C14 C15 C16 N3 -0.6(4) . . . . ?
C15 C14 C17 O2 134.1(4) . . . . ?
C13 C14 C17 O2 -40.9(5) . . . . ?
C15 C14 C17 C18 -43.4(4) . . . . ?
C13 C14 C17 C18 141.6(3) . . . . ?
O2 C17 C18 C22 170.6(3) . . . . ?
C14 C17 C18 C22 -12.0(5) . . . . ?
O2 C17 C18 C19 -8.3(5) . . . . ?
C14 C17 C18 C19 169.1(3) . . . . ?
C22 C18 C19 C20 0.9(5) . . . . ?
C17 C18 C19 C20 179.9(3) . . . . ?
C18 C19 C20 N4 0.9(5) . . . . ?
N4 C21 C22 C18 0.0(5) . . . . ?
C19 C18 C22 C21 -1.3(5) . . . . ?
C17 C18 C22 C21 179.7(3) . . . . ?
N1 Ag1 N5 C23 89.2(4) . . . . ?
N3 Ag1 N5 C23 -84.2(4) . . . . ?
Ag1 N5 C23 C24 160(100) . . . . ?
N8A C29A C30 C29B -26(12) . . . . ?
N8B C29B C30 C29A 7(13) . . . . ?
C2 C1 N1 C5 0.4(4) . . . . ?
C2 C1 N1 Ag1 179.1(2) . . . . ?
C4 C5 N1 C1 -1.2(4) . . . . ?
C4 C5 N1 Ag1 -179.9(2) . . . . ?
N3 Ag1 N1 C1 67.8(8) . . . . ?
N5 Ag1 N1 C1 -63.5(2) . . . . ?
N3 Ag1 N1 C5 -113.6(7) . . . . ?
N5 Ag1 N1 C5 115.1(2) . . . . ?
C13 C12 N3 C16 0.1(4) . . . . ?
C13 C12 N3 Ag1 -170.9(2) . . . . ?
C15 C16 N3 C12 0.7(4) . . . . ?
C15 C16 N3 Ag1 172.1(2) . . . . ?
N1 Ag1 N3 C12 -79.8(7) . . . . ?
N5 Ag1 N3 C12 51.8(2) . . . . ?
N1 Ag1 N3 C16 109.3(7) . . . . ?
N5 Ag1 N3 C16 -119.1(2) . . . . ?
C22 C21 N4 C20 1.7(5) . . . . ?
C22 C21 N4 Ag2 -179.8(2) . . . . ?
C19 C20 N4 C21 -2.2(5) . . . . ?
C19 C20 N4 Ag2 179.3(2) . . . . ?
N2 Ag2 N4 C21 126.8(5) 1_565 . . . ?
N2 Ag2 N4 C20 -54.7(7) 1_565 . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.39
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.163
_refine_diff_density_min         -1.565
_refine_diff_density_rms         0.275
_database_code_depnum_ccdc_archive 'CCDC 982466'
#######################################################################
#
#                 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_Complex_6(kp03_24C)
# start Validation Reply Form
_vrf_THETM01_Complex_6kp03_24c   
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: See experimental special details
 
;
# end Validation Reply Form
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H34 Ag2 F6 N8 O11 S2'
_chemical_formula_weight         1268.67

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'
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           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   27.5782(15)
_cell_length_b                   10.6328(5)
_cell_length_c                   18.6286(9)
_cell_angle_alpha                90.000
_cell_angle_beta                 117.5172(17)
_cell_angle_gamma                90.000
_cell_volume                     4844.8(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    9998
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      23.1

_exptl_crystal_description       rhomb
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2536
_exptl_absorpt_coefficient_mu    0.987
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6113
_exptl_absorpt_correction_T_max  0.7449
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'

_exptl_special_details           
;
The crystals of 6 were small and rather weakly diffracting. No meaningful data 
could be obtained beyond a theta limit of about 23 degrees.
;

_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26131
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_sigmaI/netI    0.0335
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.09
_diffrn_reflns_theta_max         23.16
_reflns_number_total             3420
_reflns_number_gt                3199
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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.
 A CF3SO3- anion was disordered with site occupancy of 0.51 and 
0.49. The F and O atoms of this molecule were refined isotropically.  
;

_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)+(0.0301P)²+97.7078P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3420
_refine_ls_number_parameters     337
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0631
_refine_ls_R_factor_gt           0.0596
_refine_ls_wR_factor_ref         0.1368
_refine_ls_wR_factor_gt          0.1349
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_restrained_S_all      1.149
_refine_ls_shift/su_max          0.008
_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
C1 C 0.8725(3) 0.0545(7) 0.3027(4) 0.0243(16) Uani 1 1 d . . .
H1 H 0.8861 0.1248 0.3357 0.029 Uiso 1 1 calc R . .
C2 C 0.8434(3) -0.0323(7) 0.3219(4) 0.0257(16) Uani 1 1 d . . .
H2 H 0.8377 -0.0208 0.3670 0.031 Uiso 1 1 calc R . .
C3 C 0.8228(3) -0.1373(7) 0.2731(4) 0.0243(16) Uani 1 1 d . . .
C4 C 0.8333(3) -0.1528(7) 0.2070(4) 0.0267(17) Uani 1 1 d . . .
H4 H 0.8212 -0.2236 0.1741 0.032 Uiso 1 1 calc R . .
C5 C 0.8625(3) -0.0581(7) 0.1924(4) 0.0263(16) Uani 1 1 d . . .
H5 H 0.8686 -0.0666 0.1475 0.032 Uiso 1 1 calc R . .
C6 C 0.7940(3) -0.2430(7) 0.2906(4) 0.0273(17) Uani 1 1 d . . .
C7 C 0.7578(3) -0.2148(7) 0.3305(4) 0.0263(17) Uani 1 1 d . . .
C8 C 0.7331(3) -0.0995(7) 0.3234(5) 0.0342(19) Uani 1 1 d . . .
H8 H 0.7392 -0.0335 0.2959 0.041 Uiso 1 1 calc R . .
C9 C 0.6990(3) -0.0851(8) 0.3585(5) 0.042(2) Uani 1 1 d . . .
H9 H 0.6824 -0.0072 0.3536 0.051 Uiso 1 1 calc R . .
C10 C 0.7134(3) -0.2839(9) 0.4057(4) 0.040(2) Uani 1 1 d . . .
H10 H 0.7074 -0.3472 0.4351 0.048 Uiso 1 1 calc R . .
C11 C 0.7477(3) -0.3103(7) 0.3722(4) 0.0310(18) Uani 1 1 d . . .
H11 H 0.7635 -0.3893 0.3775 0.037 Uiso 1 1 calc R . .
C12 C 0.9497(3) 0.3856(7) 0.3401(4) 0.0253(16) Uani 1 1 d . . .
H12 H 0.9527 0.3118 0.3686 0.030 Uiso 1 1 calc R . .
C13 C 0.9544(3) 0.4988(7) 0.3781(4) 0.0251(16) Uani 1 1 d . . .
H13 H 0.9607 0.5008 0.4317 0.030 Uiso 1 1 calc R . .
C14 C 0.9497(3) 0.6101(7) 0.3368(4) 0.0234(16) Uani 1 1 d . . .
C15 C 0.9401(3) 0.6035(7) 0.2572(4) 0.0228(16) Uani 1 1 d . . .
H15 H 0.9362 0.6763 0.2273 0.027 Uiso 1 1 calc R . .
C16 C 0.9364(3) 0.4865(7) 0.2232(4) 0.0267(17) Uani 1 1 d . . .
H16 H 0.9306 0.4825 0.1700 0.032 Uiso 1 1 calc R . .
C17 C 0.9561(3) 0.7365(7) 0.3753(4) 0.0231(16) Uani 1 1 d . . .
C18 C 0.9460(3) 0.7525(6) 0.4476(4) 0.0220(15) Uani 1 1 d . . .
C19 C 0.9746(3) 0.8467(6) 0.5027(4) 0.0261(16) Uani 1 1 d . . .
H19 H 1.0005 0.8946 0.4959 0.031 Uiso 1 1 calc R . .
C20 C 0.9645(3) 0.8684(7) 0.5669(4) 0.0299(17) Uani 1 1 d . . .
H20 H 0.9840 0.9318 0.6032 0.036 Uiso 1 1 calc R . .
C21 C 0.8996(3) 0.7120(7) 0.5267(4) 0.0262(16) Uani 1 1 d . . .
H21 H 0.8736 0.6664 0.5344 0.031 Uiso 1 1 calc R . .
C22 C 0.9080(3) 0.6839(7) 0.4603(4) 0.0233(16) Uani 1 1 d . . .
H22 H 0.8882 0.6198 0.4249 0.028 Uiso 1 1 calc R . .
C23 C 0.8243(4) 0.3102(9) 0.4447(6) 0.052(2) Uani 1 1 d U . .
N1 N 0.8823(2) 0.0433(5) 0.2384(3) 0.0237(13) Uani 1 1 d . . .
N2 N 0.6882(3) -0.1747(7) 0.3990(4) 0.0420(18) Uani 1 1 d . . .
N3 N 0.9407(2) 0.3778(5) 0.2627(3) 0.0248(13) Uani 1 1 d . . .
N4 N 0.9278(2) 0.8024(5) 0.5800(3) 0.0261(14) Uani 1 1 d . . .
O1 O 0.8006(2) -0.3498(5) 0.2762(3) 0.0386(13) Uani 1 1 d . . .
O2 O 0.96911(19) 0.8280(5) 0.3490(3) 0.0273(11) Uani 1 1 d . . .
O3 O 1.0000 -0.0139(7) 0.2500 0.0274(17) Uani 1 2 d S . .
S1 S 0.89352(8) 0.26260(18) 0.51501(10) 0.0269(4) Uani 1 1 d . A .
Ag1 Ag 0.92503(2) 0.18819(5) 0.19920(3) 0.0297(2) Uani 1 1 d . . .
H3 H 1.008(4) -0.069(8) 0.226(5) 0.045 Uiso 1 1 d . . .
O11 O 0.8064(5) 0.4060(13) 0.4763(9) 0.050(4) Uiso 0.515(17) 1 d P A 1
O12 O 0.7898(5) 0.2185(11) 0.4248(8) 0.037(3) Uiso 0.515(17) 1 d P A 1
O13 O 0.8193(5) 0.3576(15) 0.3763(8) 0.046(4) Uiso 0.515(17) 1 d P A 1
F11 F 0.8931(6) 0.2295(16) 0.5868(9) 0.066(4) Uiso 0.515(17) 1 d P A 1
F12 F 0.9253(5) 0.3805(14) 0.5229(8) 0.067(4) Uiso 0.515(17) 1 d P A 1
F13 F 0.8941(5) 0.1272(12) 0.4943(7) 0.058(4) Uiso 0.515(17) 1 d P A 1
O11A O 0.8151(6) 0.2949(18) 0.3674(9) 0.056(4) Uiso 0.485(17) 1 d P A 2
O12A O 0.7871(5) 0.2357(13) 0.4541(9) 0.042(4) Uiso 0.485(17) 1 d P A 2
O13A O 0.8168(5) 0.4274(13) 0.4525(8) 0.043(4) Uiso 0.485(17) 1 d P A 2
F11A F 0.8909(6) 0.2766(17) 0.5898(9) 0.064(5) Uiso 0.485(17) 1 d P A 2
F12A F 0.9278(6) 0.3352(16) 0.4965(10) 0.076(5) Uiso 0.485(17) 1 d P A 2
F13A F 0.9040(5) 0.1728(14) 0.4691(9) 0.069(4) Uiso 0.485(17) 1 d P A 2


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 N1 1.350(9) . ?
C1 C2 1.374(10) . ?
C1 H1 0.9300 . ?
C2 C3 1.385(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.399(10) . ?
C3 C6 1.497(10) . ?
C4 C5 1.393(10) . ?
C4 H4 0.9300 . ?
C5 N1 1.328(9) . ?
C5 H5 0.9300 . ?
C6 O1 1.201(9) . ?
C6 C7 1.524(11) . ?
C7 C8 1.380(11) . ?
C7 C11 1.382(10) . ?
C8 C9 1.379(11) . ?
C8 H8 0.9300 . ?
C9 N2 1.332(10) . ?
C9 H9 0.9300 . ?
C10 N2 1.328(11) . ?
C10 C11 1.384(11) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 N3 1.349(9) . ?
C12 C13 1.372(10) . ?
C12 H12 0.9300 . ?
C13 C14 1.386(10) . ?
C13 H13 0.9300 . ?
C14 C15 1.382(9) . ?
C14 C17 1.495(10) . ?
C15 C16 1.379(10) . ?
C15 H15 0.9300 . ?
C16 N3 1.346(9) . ?
C16 H16 0.9300 . ?
C17 O2 1.217(8) . ?
C17 C18 1.505(9) . ?
C18 C22 1.385(10) . ?
C18 C19 1.390(10) . ?
C19 C20 1.368(10) . ?
C19 H19 0.9300 . ?
C20 N4 1.344(9) . ?
C20 H20 0.9300 . ?
C21 N4 1.343(9) . ?
C21 C22 1.390(10) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 O13A 1.282(15) . ?
C23 O12 1.292(15) . ?
C23 O13 1.318(15) . ?
C23 O11A 1.352(17) . ?
C23 O12A 1.369(17) . ?
C23 O11 1.376(16) . ?
C23 S1 1.818(9) . ?
N1 Ag1 2.257(6) . ?
N3 Ag1 2.276(6) . ?
N4 Ag1 2.259(5) 6_566 ?
O3 H3 0.83(8) . ?
S1 F12A 1.382(14) . ?
S1 F11 1.389(14) . ?
S1 F13A 1.399(13) . ?
S1 F11A 1.437(15) . ?
S1 F13 1.493(12) . ?
S1 F12 1.497(13) . ?
Ag1 N4 2.259(5) 6_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 123.5(7) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C1 C2 C3 118.8(6) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C2 C3 C4 119.0(6) . . ?
C2 C3 C6 124.1(6) . . ?
C4 C3 C6 116.7(6) . . ?
C5 C4 C3 117.4(6) . . ?
C5 C4 H4 121.3 . . ?
C3 C4 H4 121.3 . . ?
N1 C5 C4 124.2(6) . . ?
N1 C5 H5 117.9 . . ?
C4 C5 H5 117.9 . . ?
O1 C6 C3 120.8(7) . . ?
O1 C6 C7 119.7(6) . . ?
C3 C6 C7 119.5(6) . . ?
C8 C7 C11 119.2(7) . . ?
C8 C7 C6 122.3(6) . . ?
C11 C7 C6 118.5(7) . . ?
C7 C8 C9 117.9(7) . . ?
C7 C8 H8 121.0 . . ?
C9 C8 H8 121.0 . . ?
N2 C9 C8 124.6(8) . . ?
N2 C9 H9 117.7 . . ?
C8 C9 H9 117.7 . . ?
N2 C10 C11 124.8(8) . . ?
N2 C10 H10 117.6 . . ?
C11 C10 H10 117.6 . . ?
C7 C11 C10 117.5(8) . . ?
C7 C11 H11 121.2 . . ?
C10 C11 H11 121.2 . . ?
N3 C12 C13 122.3(6) . . ?
N3 C12 H12 118.9 . . ?
C13 C12 H12 118.9 . . ?
C12 C13 C14 120.0(6) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 118.4(6) . . ?
C15 C14 C17 118.8(6) . . ?
C13 C14 C17 122.7(6) . . ?
C16 C15 C14 118.4(6) . . ?
C16 C15 H15 120.8 . . ?
C14 C15 H15 120.8 . . ?
N3 C16 C15 123.8(6) . . ?
N3 C16 H16 118.1 . . ?
C15 C16 H16 118.1 . . ?
O2 C17 C14 121.1(6) . . ?
O2 C17 C18 118.8(6) . . ?
C14 C17 C18 120.1(6) . . ?
C22 C18 C19 118.0(6) . . ?
C22 C18 C17 124.2(6) . . ?
C19 C18 C17 117.8(6) . . ?
C20 C19 C18 119.5(7) . . ?
C20 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
N4 C20 C19 123.1(7) . . ?
N4 C20 H20 118.4 . . ?
C19 C20 H20 118.4 . . ?
N4 C21 C22 122.4(7) . . ?
N4 C21 H21 118.8 . . ?
C22 C21 H21 118.8 . . ?
C18 C22 C21 119.3(7) . . ?
C18 C22 H22 120.4 . . ?
C21 C22 H22 120.4 . . ?
O13A C23 O12 129.1(11) . . ?
O13A C23 O13 77.7(10) . . ?
O12 C23 O13 106.1(11) . . ?
O13A C23 O11A 106.0(12) . . ?
O12 C23 O11A 81.5(11) . . ?
O13 C23 O11A 29.6(7) . . ?
O13A C23 O12A 112.3(11) . . ?
O12 C23 O12A 26.3(7) . . ?
O13 C23 O12A 126.5(11) . . ?
O11A C23 O12A 106.4(12) . . ?
O13A C23 O11 28.9(7) . . ?
O12 C23 O11 108.6(11) . . ?
O13 C23 O11 103.5(11) . . ?
O11A C23 O11 128.1(11) . . ?
O12A C23 O11 86.4(10) . . ?
O13A C23 S1 111.1(9) . . ?
O12 C23 S1 112.7(8) . . ?
O13 C23 S1 114.1(8) . . ?
O11A C23 S1 110.5(8) . . ?
O12A C23 S1 110.2(8) . . ?
O11 C23 S1 111.3(8) . . ?
C5 N1 C1 117.0(6) . . ?
C5 N1 Ag1 117.7(4) . . ?
C1 N1 Ag1 125.1(5) . . ?
C10 N2 C9 115.9(7) . . ?
C16 N3 C12 117.2(6) . . ?
C16 N3 Ag1 122.0(4) . . ?
C12 N3 Ag1 120.5(5) . . ?
C21 N4 C20 117.8(6) . . ?
C21 N4 Ag1 119.2(4) . 6_566 ?
C20 N4 Ag1 121.8(5) . 6_566 ?
F12A S1 F11 133.9(9) . . ?
F12A S1 F13A 82.6(12) . . ?
F11 S1 F13A 120.8(11) . . ?
F12A S1 F11A 122.1(9) . . ?
F11 S1 F11A 20.8(8) . . ?
F13A S1 F11A 141.4(11) . . ?
F12A S1 F13 112.6(11) . . ?
F11 S1 F13 90.6(10) . . ?
F13A S1 F13 32.1(6) . . ?
F11A S1 F13 111.3(10) . . ?
F12A S1 F12 28.4(7) . . ?
F11 S1 F12 112.5(8) . . ?
F13A S1 F12 110.8(10) . . ?
F11A S1 F12 96.1(8) . . ?
F13 S1 F12 139.2(9) . . ?
F12A S1 C23 106.0(7) . . ?
F11 S1 C23 106.9(7) . . ?
F13A S1 C23 101.2(6) . . ?
F11A S1 C23 99.4(7) . . ?
F13 S1 C23 102.5(5) . . ?
F12 S1 C23 102.1(6) . . ?
N1 Ag1 N4 127.5(2) . 6_565 ?
N1 Ag1 N3 116.1(2) . . ?
N4 Ag1 N3 112.8(2) 6_565 . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        23.16
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.252
_refine_diff_density_min         -0.964
_refine_diff_density_rms         0.126
_database_code_depnum_ccdc_archive 'CCDC 982467'
#######################################################################
#
#                 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_Complex_7(kp03_40C)
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H16 Ag B F4 N4 O2'
_chemical_formula_weight         563.07


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'
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'
Ag Ag -0.8971 1.1015 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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                   11.020(11)
_cell_length_b                   18.3216(17)
_cell_length_c                   10.7558(10)
_cell_angle_alpha                90
_cell_angle_beta                 93.782(4)
_cell_angle_gamma                90
_cell_volume                     2167.4(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    9900
_cell_measurement_theta_min      2.2
_cell_measurement_theta_max      28.27

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.29
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1120
_exptl_absorpt_coefficient_mu    0.994
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6590
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      90(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 APEXII CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26132
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0237
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.85
_diffrn_reflns_theta_max         26.41
_reflns_number_total             4439
_reflns_number_gt                3989
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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)+(0.0186P)²+2.2021P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4439
_refine_ls_number_parameters     307
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0221
_refine_ls_wR_factor_ref         0.0559
_refine_ls_wR_factor_gt          0.0502
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_restrained_S_all      1.083
_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
C1 C 0.51912(19) 0.83013(11) 0.59284(19) 0.0169(4) Uani 1 1 d . . .
H1 H 0.4950 0.8616 0.6545 0.020 Uiso 1 1 calc R . .
C2 C 0.45882(19) 0.76406(11) 0.57597(19) 0.0167(4) Uani 1 1 d . . .
H2 H 0.3976 0.7508 0.6271 0.020 Uiso 1 1 calc R . .
C3 C 0.49168(19) 0.71806(11) 0.48114(19) 0.0150(4) Uani 1 1 d . . .
C4 C 0.5854(2) 0.73950(12) 0.40934(19) 0.0181(4) Uani 1 1 d . . .
H4 H 0.6089 0.7100 0.3449 0.022 Uiso 1 1 calc R . .
C5 C 0.6436(2) 0.80522(12) 0.43443(19) 0.0194(4) Uani 1 1 d . . .
H5 H 0.7081 0.8185 0.3874 0.023 Uiso 1 1 calc R . .
C6 C 0.42267(18) 0.64886(11) 0.44944(19) 0.0155(4) Uani 1 1 d . . .
C7 C 0.41788(18) 0.58979(11) 0.54535(19) 0.0146(4) Uani 1 1 d . . .
C8 C 0.34055(19) 0.53056(11) 0.5207(2) 0.0162(4) Uani 1 1 d . . .
H8 H 0.2935 0.5274 0.4458 0.019 Uiso 1 1 calc R . .
C9 C 0.33529(19) 0.47672(11) 0.6098(2) 0.0178(4) Uani 1 1 d . . .
H9 H 0.2830 0.4375 0.5930 0.021 Uiso 1 1 calc R . .
C10 C 0.47842(19) 0.53343(12) 0.7400(2) 0.0197(4) Uani 1 1 d . . .
H10 H 0.5271 0.5340 0.8141 0.024 Uiso 1 1 calc R . .
C11 C 0.48976(19) 0.59077(11) 0.65676(19) 0.0175(4) Uani 1 1 d . . .
H11 H 0.5440 0.6288 0.6751 0.021 Uiso 1 1 calc R . .
C12 C 0.7987(2) 1.09081(11) 0.44162(19) 0.0180(4) Uani 1 1 d . . .
H21 H 0.7927 1.0602 0.3726 0.022 Uiso 1 1 calc R . .
C13 C 0.8351(2) 1.16204(11) 0.42594(19) 0.0175(4) Uani 1 1 d . . .
H22 H 0.8521 1.1790 0.3474 0.021 Uiso 1 1 calc R . .
C14 C 0.84629(17) 1.20833(11) 0.52865(18) 0.0128(4) Uani 1 1 d . . .
C15 C 0.81821(19) 1.18070(11) 0.64316(18) 0.0154(4) Uani 1 1 d . . .
H24 H 0.8240 1.2101 0.7138 0.018 Uiso 1 1 calc R . .
C16 C 0.78148(19) 1.10888(11) 0.65097(19) 0.0171(4) Uani 1 1 d . . .
H25 H 0.7628 1.0909 0.7283 0.021 Uiso 1 1 calc R . .
C17 C 0.87843(18) 1.28752(11) 0.51408(18) 0.0135(4) Uani 1 1 d . . .
C18 C 0.96483(18) 1.32263(11) 0.60977(18) 0.0131(4) Uani 1 1 d . . .
C19 C 0.96401(18) 1.39812(11) 0.62304(19) 0.0159(4) Uani 1 1 d . . .
H28 H 0.9116 1.4268 0.5723 0.019 Uiso 1 1 calc R . .
C20 C 1.04274(19) 1.42984(11) 0.7133(2) 0.0169(4) Uani 1 1 d . . .
H29 H 1.0401 1.4802 0.7237 0.020 Uiso 1 1 calc R . .
C21 C 1.12438(19) 1.31878(11) 0.7707(2) 0.0183(4) Uani 1 1 d . . .
H30 H 1.1802 1.2916 0.8201 0.022 Uiso 1 1 calc R . .
C22 C 1.04723(18) 1.28215(11) 0.68484(19) 0.0163(4) Uani 1 1 d . . .
H31 H 1.0506 1.2316 0.6777 0.020 Uiso 1 1 calc R . .
N1 N 0.61066(16) 0.85070(9) 0.52423(15) 0.0157(4) Uani 1 1 d . . .
N2 N 0.40143(16) 0.47759(10) 0.71961(17) 0.0192(4) Uani 1 1 d . . .
N3 N 0.77140(16) 1.06380(9) 0.55291(16) 0.0156(4) Uani 1 1 d . . .
N4 N 1.12279(16) 1.39118(9) 0.78642(17) 0.0177(4) Uani 1 1 d . . .
O1 O 0.37114(14) 0.64257(8) 0.34662(14) 0.0221(3) Uani 1 1 d . . .
O2 O 0.83148(14) 1.32229(8) 0.42709(13) 0.0183(3) Uani 1 1 d . . .
Ag1 Ag 0.722039(14) 0.948316(8) 0.582069(15) 0.01755(6) Uani 1 1 d . . .
B1 B 0.1639(2) 0.09518(13) 0.7918(2) 0.0180(5) Uani 1 1 d . . .
F1 F 0.07112(15) 0.10789(8) 0.70263(16) 0.0453(4) Uani 1 1 d . . .
F2 F 0.12013(14) 0.06472(8) 0.89749(14) 0.0378(4) Uani 1 1 d . . .
F3 F 0.22477(12) 0.16052(7) 0.82317(12) 0.0234(3) Uani 1 1 d . . .
F4 F 0.24677(12) 0.04652(7) 0.74433(13) 0.0305(3) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 N1 1.341(3) . ?
C1 C2 1.387(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.389(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.385(3) . ?
C3 C6 1.505(3) . ?
C4 C5 1.382(3) . ?
C4 H4 0.9300 . ?
C5 N1 1.344(3) . ?
C5 H5 0.9300 . ?
C6 O1 1.214(2) . ?
C6 C7 1.499(3) . ?
C7 C11 1.392(3) . ?
C7 C8 1.394(3) . ?
C8 C9 1.379(3) . ?
C8 H8 0.9300 . ?
C9 N2 1.346(3) . ?
C9 H9 0.9300 . ?
C10 N2 1.337(3) . ?
C10 C11 1.391(3) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 N3 1.347(3) . ?
C12 C13 1.379(3) . ?
C12 H21 0.9300 . ?
C13 C14 1.392(3) . ?
C13 H22 0.9300 . ?
C14 C15 1.385(3) . ?
C14 C17 1.504(3) . ?
C15 C16 1.381(3) . ?
C15 H24 0.9300 . ?
C16 N3 1.339(3) . ?
C16 H25 0.9300 . ?
C17 O2 1.218(2) . ?
C17 C18 1.499(3) . ?
C18 C22 1.388(3) . ?
C18 C19 1.391(3) . ?
C19 C20 1.385(3) . ?
C19 H28 0.9300 . ?
C20 N4 1.344(3) . ?
C20 H29 0.9300 . ?
C21 N4 1.338(3) . ?
C21 C22 1.386(3) . ?
C21 H30 0.9300 . ?
C22 H31 0.9300 . ?
N1 Ag1 2.2332(17) . ?
N3 Ag1 2.2122(17) . ?
N4 Ag1 2.3860(17) 2_756 ?
Ag1 N4 2.3860(17) 2_746 ?
B1 F1 1.374(3) . ?
B1 F2 1.381(3) . ?
B1 F4 1.396(3) . ?
B1 F3 1.402(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
N1 C1 C2 122.93(19) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C1 C2 C3 118.70(19) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 118.46(19) . . ?
C4 C3 C6 119.71(18) . . ?
C2 C3 C6 121.69(18) . . ?
C5 C4 C3 119.39(19) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
N1 C5 C4 122.49(19) . . ?
N1 C5 H5 118.8 . . ?
C4 C5 H5 118.8 . . ?
O1 C6 C7 121.51(18) . . ?
O1 C6 C3 118.98(18) . . ?
C7 C6 C3 119.51(17) . . ?
C11 C7 C8 118.62(19) . . ?
C11 C7 C6 122.66(18) . . ?
C8 C7 C6 118.70(18) . . ?
C9 C8 C7 118.56(19) . . ?
C9 C8 H8 120.7 . . ?
C7 C8 H8 120.7 . . ?
N2 C9 C8 123.8(2) . . ?
N2 C9 H9 118.1 . . ?
C8 C9 H9 118.1 . . ?
N2 C10 C11 123.7(2) . . ?
N2 C10 H10 118.2 . . ?
C11 C10 H10 118.2 . . ?
C10 C11 C7 118.33(19) . . ?
C10 C11 H11 120.8 . . ?
C7 C11 H11 120.8 . . ?
N3 C12 C13 122.68(19) . . ?
N3 C12 H21 118.7 . . ?
C13 C12 H21 118.7 . . ?
C12 C13 C14 119.40(19) . . ?
C12 C13 H22 120.3 . . ?
C14 C13 H22 120.3 . . ?
C15 C14 C13 118.02(19) . . ?
C15 C14 C17 120.86(18) . . ?
C13 C14 C17 120.95(18) . . ?
C16 C15 C14 119.06(19) . . ?
C16 C15 H24 120.5 . . ?
C14 C15 H24 120.5 . . ?
N3 C16 C15 123.33(19) . . ?
N3 C16 H25 118.3 . . ?
C15 C16 H25 118.3 . . ?
O2 C17 C18 121.35(18) . . ?
O2 C17 C14 119.59(18) . . ?
C18 C17 C14 119.03(17) . . ?
C22 C18 C19 118.69(19) . . ?
C22 C18 C17 122.02(18) . . ?
C19 C18 C17 119.28(18) . . ?
C20 C19 C18 118.76(19) . . ?
C20 C19 H28 120.6 . . ?
C18 C19 H28 120.6 . . ?
N4 C20 C19 123.00(19) . . ?
N4 C20 H29 118.5 . . ?
C19 C20 H29 118.5 . . ?
N4 C21 C22 123.5(2) . . ?
N4 C21 H30 118.3 . . ?
C22 C21 H30 118.2 . . ?
C21 C22 C18 118.47(19) . . ?
C21 C22 H31 120.8 . . ?
C18 C22 H31 120.8 . . ?
C1 N1 C5 117.98(18) . . ?
C1 N1 Ag1 119.34(14) . . ?
C5 N1 Ag1 121.86(14) . . ?
C10 N2 C9 116.94(18) . . ?
C16 N3 C12 117.50(18) . . ?
C16 N3 Ag1 119.14(14) . . ?
C12 N3 Ag1 123.27(14) . . ?
C21 N4 C20 117.54(18) . . ?
C21 N4 Ag1 119.69(14) . 2_756 ?
C20 N4 Ag1 122.12(13) . 2_756 ?
N3 Ag1 N1 149.54(6) . . ?
N3 Ag1 N4 109.33(6) . 2_746 ?
N1 Ag1 N4 99.89(6) . 2_746 ?
F1 B1 F2 111.1(2) . . ?
F1 B1 F4 109.02(19) . . ?
F2 B1 F4 108.34(18) . . ?
F1 B1 F3 110.14(18) . . ?
F2 B1 F3 109.53(19) . . ?
F4 B1 F3 108.69(18) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.41
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.680
_refine_diff_density_min         -0.382
_refine_diff_density_rms         0.067
_database_code_depnum_ccdc_archive 'CCDC 982468'
#######################################################################
#
#                 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_Complex_8(kp03_43AR2)
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H16 Ag F6 N4 O2 P'
_chemical_formula_weight         621.23

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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   P2(1)/n

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                   11.0709(7)
_cell_length_b                   18.5174(12)
_cell_length_c                   11.6388(8)
_cell_angle_alpha                90.000
_cell_angle_beta                 96.473(3)
_cell_angle_gamma                90.000
_cell_volume                     2370.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    9898
_cell_measurement_theta_min      2.6956
_cell_measurement_theta_max      27.1141

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.19
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1232
_exptl_absorpt_coefficient_mu    0.993
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6253
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21026
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_av_sigmaI/netI    0.0175
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.08
_diffrn_reflns_theta_max         25.50
_reflns_number_total             4407
_reflns_number_gt                4142
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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.
The four F-atoms of the PF6- anion were disordered over the site occupancy of 
0.65 and 0.35. The disordered anion was modelled with DFIX restraints.
;

_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)+(0.0253P)²+6.7411P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4407
_refine_ls_number_parameters     362
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0340
_refine_ls_wR_factor_ref         0.0846
_refine_ls_wR_factor_gt          0.0832
_refine_ls_goodness_of_fit_ref   1.145
_refine_ls_restrained_S_all      1.152
_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
C1 C 0.2966(3) -0.11334(18) 0.6558(3) 0.0243(7) Uani 1 1 d . . .
H1 H 0.3685 -0.1350 0.6393 0.029 Uiso 1 1 calc R . .
C2 C 0.1894(3) -0.15063(18) 0.6295(3) 0.0235(7) Uani 1 1 d . . .
H2 H 0.1891 -0.1963 0.5963 0.028 Uiso 1 1 calc R . .
C3 C 0.0812(3) -0.11835(17) 0.6539(3) 0.0182(6) Uani 1 1 d . . .
C4 C 0.0861(3) -0.05027(17) 0.7028(3) 0.0195(7) Uani 1 1 d . . .
H4 H 0.0155 -0.0273 0.7195 0.023 Uiso 1 1 calc R . .
C5 C 0.1983(3) -0.01682(18) 0.7267(3) 0.0207(7) Uani 1 1 d . . .
H5 H 0.2011 0.0289 0.7602 0.025 Uiso 1 1 calc R . .
C6 C -0.0335(3) -0.16212(18) 0.6348(3) 0.0204(7) Uani 1 1 d . . .
C7 C -0.1546(3) -0.12613(17) 0.6333(3) 0.0185(7) Uani 1 1 d . . .
C8 C -0.2438(3) -0.16115(17) 0.6865(3) 0.0220(7) Uani 1 1 d . . .
H8 H -0.2288 -0.2063 0.7201 0.026 Uiso 1 1 calc R . .
C9 C -0.3553(3) -0.12823(18) 0.6889(3) 0.0253(7) Uani 1 1 d . . .
H9 H -0.4136 -0.1514 0.7272 0.030 Uiso 1 1 calc R . .
C10 C -0.2983(3) -0.03224(18) 0.5836(3) 0.0249(7) Uani 1 1 d . . .
H10 H -0.3176 0.0113 0.5462 0.030 Uiso 1 1 calc R . .
C11 C -0.1835(3) -0.06006(17) 0.5794(3) 0.0208(7) Uani 1 1 d . . .
H11 H -0.1264 -0.0353 0.5416 0.025 Uiso 1 1 calc R . .
C12 C 0.7213(3) 0.00662(19) 0.9233(4) 0.0316(9) Uani 1 1 d . . .
H12 H 0.7218 -0.0431 0.9116 0.038 Uiso 1 1 calc R . .
C13 C 0.8223(3) 0.03831(18) 0.9820(3) 0.0254(8) Uani 1 1 d . . .
H13 H 0.8881 0.0100 1.0112 0.030 Uiso 1 1 calc R . .
C14 C 0.8257(3) 0.11278(17) 0.9978(3) 0.0210(7) Uani 1 1 d . . .
C15 C 0.7232(3) 0.15162(19) 0.9553(3) 0.0297(8) Uani 1 1 d . . .
H15 H 0.7214 0.2016 0.9635 0.036 Uiso 1 1 calc R . .
C16 C 0.6242(4) 0.1154(2) 0.9010(4) 0.0370(10) Uani 1 1 d . . .
H16 H 0.5551 0.1420 0.8760 0.044 Uiso 1 1 calc R . .
C17 C 0.9399(3) 0.14739(18) 1.0532(3) 0.0204(7) Uani 1 1 d . . .
C18 C 0.9429(3) 0.22619(17) 1.0838(3) 0.0184(7) Uani 1 1 d . . .
C19 C 1.0506(3) 0.26412(18) 1.0762(3) 0.0238(7) Uani 1 1 d . . .
H19 H 1.1167 0.2415 1.0488 0.029 Uiso 1 1 calc R . .
C20 C 1.0578(3) 0.33557(18) 1.1099(3) 0.0266(8) Uani 1 1 d . . .
H20 H 1.1308 0.3599 1.1062 0.032 Uiso 1 1 calc R . .
C21 C 0.8624(3) 0.33479(18) 1.1555(3) 0.0242(7) Uani 1 1 d . . .
H21 H 0.7974 0.3589 1.1824 0.029 Uiso 1 1 calc R . .
C22 C 0.8475(3) 0.26260(18) 1.1258(3) 0.0207(7) Uani 1 1 d . . .
H22 H 0.7748 0.2390 1.1338 0.025 Uiso 1 1 calc R . .
N1 N 0.3025(2) -0.04724(15) 0.7040(2) 0.0219(6) Uani 1 1 d . . .
N2 N -0.3835(3) -0.06436(15) 0.6384(3) 0.0250(6) Uani 1 1 d . . .
N3 N 0.6215(3) 0.04427(16) 0.8819(3) 0.0351(8) Uani 1 1 d . . .
N4 N 0.9647(3) 0.37178(15) 1.1477(3) 0.0258(6) Uani 1 1 d . . .
O1 O -0.0274(2) -0.22726(12) 0.6273(2) 0.0266(5) Uani 1 1 d . . .
O2 O 1.0323(2) 0.11189(12) 1.0735(2) 0.0255(5) Uani 1 1 d . . .
F11 F 0.0411(3) 0.13234(16) 0.6083(2) 0.0585(8) Uani 1 1 d D A .
F14 F -0.0655(2) 0.21056(13) 0.8191(2) 0.0474(6) Uani 1 1 d D A .
P11 P -0.01406(9) 0.17115(6) 0.71330(9) 0.0326(2) Uani 1 1 d D . .
Ag1 Ag 0.48147(2) 0.010777(13) 0.73049(3) 0.02506(10) Uani 1 1 d . . .
F12 F -0.0683(16) 0.1002(3) 0.7495(12) 0.114(6) Uani 0.65(2) 1 d PD A 1
F13 F -0.1273(7) 0.1959(7) 0.6364(9) 0.076(4) Uani 0.65(2) 1 d PD A 1
F15 F 0.0511(9) 0.2448(5) 0.6794(11) 0.072(3) Uani 0.65(2) 1 d PD A 1
F16 F 0.1120(11) 0.1517(9) 0.7925(6) 0.100(5) Uani 0.65(2) 1 d PD A 1
F16A F 0.0453(17) 0.1143(7) 0.7993(8) 0.055(4) Uani 0.35(2) 1 d PD A 2
F13A F -0.097(2) 0.2192(11) 0.6224(16) 0.091(8) Uani 0.35(2) 1 d PD A 2
F12A F -0.1294(11) 0.1149(9) 0.6936(17) 0.082(5) Uani 0.35(2) 1 d PD A 2
F15A F 0.0886(19) 0.2244(14) 0.728(3) 0.106(9) Uani 0.35(2) 1 d PD A 2


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 N1 1.345(4) . ?
C1 C2 1.377(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.396(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.382(5) . ?
C3 C6 1.502(4) . ?
C4 C5 1.387(4) . ?
C4 H4 0.9300 . ?
C5 N1 1.337(4) . ?
C5 H5 0.9300 . ?
C6 O1 1.212(4) . ?
C6 C7 1.496(4) . ?
C7 C8 1.384(5) . ?
C7 C11 1.395(4) . ?
C8 C9 1.379(5) . ?
C8 H8 0.9300 . ?
C9 N2 1.341(4) . ?
C9 H9 0.9300 . ?
C10 N2 1.337(5) . ?
C10 C11 1.377(5) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 N3 1.349(5) . ?
C12 C13 1.374(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.391(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.386(5) . ?
C14 C17 1.497(4) . ?
C15 C16 1.377(5) . ?
C15 H15 0.9300 . ?
C16 N3 1.335(5) . ?
C16 H16 0.9300 . ?
C17 O2 1.217(4) . ?
C17 C18 1.501(4) . ?
C18 C22 1.387(5) . ?
C18 C19 1.395(5) . ?
C19 C20 1.380(5) . ?
C19 H19 0.9300 . ?
C20 N4 1.345(5) . ?
C20 H20 0.9300 . ?
C21 N4 1.336(4) . ?
C21 C22 1.386(5) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
N1 Ag1 2.244(3) . ?
N2 Ag1 2.383(3) 1_455 ?
N3 Ag1 2.297(3) . ?
N4 Ag1 2.377(3) 4_666 ?
F11 P11 1.597(3) . ?
F14 P11 1.591(2) . ?
P11 F15A 1.500(13) . ?
P11 F12 1.524(6) . ?
P11 F13 1.526(7) . ?
P11 F16A 1.547(9) . ?
P11 F13A 1.592(12) . ?
P11 F15 1.613(8) . ?
P11 F16 1.624(7) . ?
P11 F12A 1.643(10) . ?
Ag1 N4 2.377(3) 4_565 ?
Ag1 N2 2.383(3) 1_655 ?

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 C1 C2 123.3(3) . . ?
N1 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C1 C2 C3 118.5(3) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
C4 C3 C2 118.6(3) . . ?
C4 C3 C6 123.1(3) . . ?
C2 C3 C6 118.0(3) . . ?
C3 C4 C5 118.9(3) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
N1 C5 C4 123.0(3) . . ?
N1 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
O1 C6 C7 120.0(3) . . ?
O1 C6 C3 119.7(3) . . ?
C7 C6 C3 120.2(3) . . ?
C8 C7 C11 118.2(3) . . ?
C8 C7 C6 118.0(3) . . ?
C11 C7 C6 123.7(3) . . ?
C9 C8 C7 119.1(3) . . ?
C9 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
N2 C9 C8 123.1(3) . . ?
N2 C9 H9 118.5 . . ?
C8 C9 H9 118.5 . . ?
N2 C10 C11 123.7(3) . . ?
N2 C10 H10 118.2 . . ?
C11 C10 H10 118.2 . . ?
C10 C11 C7 118.5(3) . . ?
C10 C11 H11 120.7 . . ?
C7 C11 H11 120.7 . . ?
N3 C12 C13 123.0(3) . . ?
N3 C12 H12 118.5 . . ?
C13 C12 H12 118.5 . . ?
C12 C13 C14 119.8(3) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C15 C14 C13 117.3(3) . . ?
C15 C14 C17 123.3(3) . . ?
C13 C14 C17 119.3(3) . . ?
C16 C15 C14 119.2(3) . . ?
C16 C15 H15 120.4 . . ?
C14 C15 H15 120.4 . . ?
N3 C16 C15 124.0(3) . . ?
N3 C16 H16 118.0 . . ?
C15 C16 H16 118.0 . . ?
O2 C17 C14 120.2(3) . . ?
O2 C17 C18 118.9(3) . . ?
C14 C17 C18 120.9(3) . . ?
C22 C18 C19 117.9(3) . . ?
C22 C18 C17 123.9(3) . . ?
C19 C18 C17 118.0(3) . . ?
C20 C19 C18 119.2(3) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
N4 C20 C19 123.3(3) . . ?
N4 C20 H20 118.4 . . ?
C19 C20 H20 118.4 . . ?
N4 C21 C22 123.8(3) . . ?
N4 C21 H21 118.1 . . ?
C22 C21 H21 118.1 . . ?
C21 C22 C18 118.8(3) . . ?
C21 C22 H22 120.6 . . ?
C18 C22 H22 120.6 . . ?
C5 N1 C1 117.6(3) . . ?
C5 N1 Ag1 122.6(2) . . ?
C1 N1 Ag1 119.6(2) . . ?
C10 N2 C9 117.3(3) . . ?
C10 N2 Ag1 117.9(2) . 1_455 ?
C9 N2 Ag1 116.4(2) . 1_455 ?
C16 N3 C12 116.6(3) . . ?
C16 N3 Ag1 113.2(2) . . ?
C12 N3 Ag1 126.1(2) . . ?
C21 N4 C20 117.0(3) . . ?
C21 N4 Ag1 118.0(2) . 4_666 ?
C20 N4 Ag1 124.1(2) . 4_666 ?
F15A P11 F12 148.5(11) . . ?
F15A P11 F13 115.6(12) . . ?
F12 P11 F13 95.6(7) . . ?
F15A P11 F16A 96.4(11) . . ?
F12 P11 F16A 52.1(6) . . ?
F13 P11 F16A 147.6(7) . . ?
F15A P11 F14 86.7(9) . . ?
F12 P11 F14 89.7(3) . . ?
F13 P11 F14 88.5(4) . . ?
F16A P11 F14 88.5(4) . . ?
F15A P11 F13A 94.6(12) . . ?
F12 P11 F13A 116.8(9) . . ?
F13 P11 F13A 21.4(10) . . ?
F16A P11 F13A 168.9(10) . . ?
F14 P11 F13A 91.6(7) . . ?
F15A P11 F11 92.0(9) . . ?
F12 P11 F11 91.1(3) . . ?
F13 P11 F11 92.6(4) . . ?
F16A P11 F11 91.0(4) . . ?
F14 P11 F11 178.50(18) . . ?
F13A P11 F11 89.1(7) . . ?
F15A P11 F15 28.1(12) . . ?
F12 P11 F15 176.5(7) . . ?
F13 P11 F15 87.9(5) . . ?
F16A P11 F15 124.4(7) . . ?
F14 P11 F15 90.6(4) . . ?
F13A P11 F15 66.7(9) . . ?
F11 P11 F15 88.5(4) . . ?
F15A P11 F16 59.3(10) . . ?
F12 P11 F16 89.5(6) . . ?
F13 P11 F16 174.9(6) . . ?
F16A P11 F16 37.5(5) . . ?
F14 P11 F16 91.3(2) . . ?
F13A P11 F16 153.5(9) . . ?
F11 P11 F16 87.5(3) . . ?
F15 P11 F16 87.0(6) . . ?
F15A P11 F12A 177.8(11) . . ?
F12 P11 F12A 33.7(5) . . ?
F13 P11 F12A 62.2(7) . . ?
F16A P11 F12A 85.7(7) . . ?
F14 P11 F12A 93.3(6) . . ?
F13A P11 F12A 83.2(9) . . ?
F11 P11 F12A 88.1(6) . . ?
F15 P11 F12A 149.7(7) . . ?
F16 P11 F12A 122.9(6) . . ?
N1 Ag1 N3 138.04(12) . . ?
N1 Ag1 N4 110.79(10) . 4_565 ?
N3 Ag1 N4 94.52(11) . 4_565 ?
N1 Ag1 N2 104.32(10) . 1_655 ?
N3 Ag1 N2 95.71(11) . 1_655 ?
N4 Ag1 N2 112.09(10) 4_565 1_655 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.034
_refine_diff_density_min         -0.476
_refine_diff_density_rms         0.079
_database_code_depnum_ccdc_archive 'CCDC 982469'
#######################################################################
#
#                 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_Complex_9(kp03_43AR)
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H22 Ag F6 N6 O2 P'
_chemical_formula_weight         703.34

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   10.950(7)
_cell_length_b                   11.1081(7)
_cell_length_c                   12.1273(9)
_cell_angle_alpha                85.248(2)
_cell_angle_beta                 86.205(3)
_cell_angle_gamma                83.680(3)
_cell_volume                     1458.7(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    9112
_cell_measurement_theta_min      2.4076
_cell_measurement_theta_max      27.05

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.84
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             704
_exptl_absorpt_coefficient_mu    0.819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5859
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17617
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_sigmaI/netI    0.0374
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         27.14
_reflns_number_total             6405
_reflns_number_gt                5690
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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)+(0.0572P)²+3.7067P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6405
_refine_ls_number_parameters     371
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0446
_refine_ls_wR_factor_ref         0.1247
_refine_ls_wR_factor_gt          0.1202
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.082
_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
C1 C 0.8345(4) 0.2728(4) 0.5621(3) 0.0273(8) Uani 1 1 d . . .
H1 H 0.7659 0.2592 0.5255 0.033 Uiso 1 1 calc R . .
C2 C 0.9378(4) 0.3025(4) 0.4998(3) 0.0274(8) Uani 1 1 d . . .
H2 H 0.9378 0.3109 0.4228 0.033 Uiso 1 1 calc R . .
C3 C 1.0427(3) 0.3199(3) 0.5533(3) 0.0221(7) Uani 1 1 d . . .
C4 C 1.0372(3) 0.3071(4) 0.6690(3) 0.0251(8) Uani 1 1 d . . .
H4 H 1.1057 0.3162 0.7078 0.030 Uiso 1 1 calc R . .
C5 C 0.9285(3) 0.2806(4) 0.7246(3) 0.0261(8) Uani 1 1 d . . .
H5 H 0.9246 0.2750 0.8017 0.031 Uiso 1 1 calc R . .
C6 C 1.1543(4) 0.3613(4) 0.4894(3) 0.0264(8) Uani 1 1 d . . .
C7 C 0.2741(3) 0.3321(4) 0.5451(3) 0.0246(8) Uani 1 1 d . . .
C8 C 0.3393(4) 0.4249(4) 0.5712(3) 0.0251(8) Uani 1 1 d . . .
H8 H 0.3135 0.5055 0.5495 0.030 Uiso 1 1 calc R . .
C9 C 0.4440(3) 0.3948(4) 0.6305(3) 0.0243(7) Uani 1 1 d . . .
H9 H 0.4864 0.4574 0.6495 0.029 Uiso 1 1 calc R . .
C10 C 0.4264(4) 0.1919(4) 0.6303(3) 0.0297(8) Uani 1 1 d . . .
H10 H 0.4583 0.1118 0.6469 0.036 Uiso 1 1 calc R . .
C11 C 0.3191(4) 0.2131(4) 0.5746(4) 0.0319(9) Uani 1 1 d . . .
H11 H 0.2780 0.1488 0.5573 0.038 Uiso 1 1 calc R . .
C12 C 0.5843(4) -0.0165(3) 0.8765(3) 0.0235(7) Uani 1 1 d . . .
H12 H 0.5219 0.0022 0.8275 0.028 Uiso 1 1 calc R . .
C13 C 0.6012(3) -0.1333(3) 0.9260(3) 0.0215(7) Uani 1 1 d . . .
H13 H 0.5520 -0.1919 0.9095 0.026 Uiso 1 1 calc R . .
C14 C 0.6927(3) 0.8380(3) 1.0007(3) 0.0201(7) Uani 1 1 d . . .
C15 C 0.7621(4) -0.0704(3) 1.0238(3) 0.0251(8) Uani 1 1 d . . .
H15 H 0.8218 -0.0855 1.0757 0.030 Uiso 1 1 calc R . .
C16 C 0.7415(4) 0.0425(3) 0.9690(3) 0.0258(8) Uani 1 1 d . . .
H16 H 0.7905 0.1021 0.9831 0.031 Uiso 1 1 calc R . .
C17 C 0.7159(3) 0.7135(3) 1.0574(3) 0.0208(7) Uani 1 1 d . . .
C18 C 0.6966(3) 0.6072(3) 0.9953(3) 0.0180(7) Uani 1 1 d . . .
C19 C 0.7144(3) 0.6091(3) 0.8804(3) 0.0208(7) Uani 1 1 d . . .
H19 H 0.7367 0.6784 0.8391 0.025 Uiso 1 1 calc R . .
C20 C 0.6982(4) 0.5059(3) 0.8288(3) 0.0225(7) Uani 1 1 d . . .
H20 H 0.7108 0.5072 0.7521 0.027 Uiso 1 1 calc R . .
C21 C 0.6493(3) 0.4027(3) 0.9955(3) 0.0212(7) Uani 1 1 d . . .
H21 H 0.6274 0.3321 1.0349 0.025 Uiso 1 1 calc R . .
C22 C 0.6638(3) 0.5013(3) 1.0540(3) 0.0203(7) Uani 1 1 d . . .
H22 H 0.6519 0.4971 1.1308 0.024 Uiso 1 1 calc R . .
C23A C 0.9267(9) 0.8958(9) 0.7237(8) 0.098(3) Uiso 1 1 d . . .
C24A C 1.0365(11) 0.9672(11) 0.7549(9) 0.130(4) Uiso 1 1 d . . .
H24A H 1.0049 1.0293 0.8029 0.194 Uiso 1 1 calc R . .
H24B H 1.0741 1.0038 0.6885 0.194 Uiso 1 1 calc R . .
H24C H 1.0966 0.9116 0.7920 0.194 Uiso 1 1 calc R . .
C25 C 0.0346(4) 0.6533(4) 0.9177(3) 0.0335(9) Uani 1 1 d . . .
C26 C 0.0434(4) 0.5711(4) 0.8293(4) 0.0377(10) Uani 1 1 d . . .
H26A H 0.1221 0.5729 0.7895 0.057 Uiso 1 1 calc R . .
H26B H -0.0207 0.5962 0.7795 0.057 Uiso 1 1 calc R . .
H26C H 0.0348 0.4900 0.8606 0.057 Uiso 1 1 calc R . .
N1 N 0.8280(3) 0.2624(3) 0.6738(3) 0.0237(6) Uani 1 1 d . . .
N2 N 0.4871(3) 0.2806(3) 0.6617(3) 0.0232(6) Uani 1 1 d . . .
N3 N 0.6535(3) 0.0709(3) 0.8958(3) 0.0224(6) Uani 1 1 d . . .
N4 N 0.6652(3) 0.4037(3) 0.8847(2) 0.0205(6) Uani 1 1 d . . .
N5A N 0.8488(7) 0.8402(7) 0.7101(7) 0.108(3) Uani 1 1 d . . .
N6 N 0.0282(4) 0.7166(4) 0.9876(4) 0.0497(11) Uani 1 1 d . . .
O1 O 1.1478(3) 0.4187(3) 0.4007(2) 0.0380(7) Uani 1 1 d . . .
O2 O 0.7499(3) 0.6995(3) 1.1512(2) 0.0285(6) Uani 1 1 d . . .
F11 F 0.4537(3) 0.6837(3) 0.7648(2) 0.0492(7) Uani 1 1 d . . .
F12 F 0.3415(3) 0.8583(3) 0.7962(3) 0.0605(9) Uani 1 1 d . . .
F13 F 0.5013(3) 0.8546(3) 0.6683(2) 0.0604(9) Uani 1 1 d . . .
F14 F 0.3050(4) 0.8881(3) 0.6134(3) 0.0768(12) Uani 1 1 d . . .
F15 F 0.4194(3) 0.7117(3) 0.5831(2) 0.0440(7) Uani 1 1 d . . .
F16 F 0.2597(3) 0.7177(3) 0.7086(3) 0.0587(9) Uani 1 1 d . . .
P2 P 0.38044(10) 0.78707(10) 0.68812(8) 0.0270(2) Uani 1 1 d . . .
Ag1 Ag 0.64207(3) 0.24236(2) 0.77899(2) 0.02324(10) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 N1 1.348(5) . ?
C1 C2 1.374(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.395(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.397(5) . ?
C3 C6 1.497(5) . ?
C4 C5 1.378(5) . ?
C4 H4 0.9300 . ?
C5 N1 1.338(5) . ?
C5 H5 0.9300 . ?
C6 O1 1.207(5) . ?
C6 C7 1.506(5) 1_655 ?
C7 C8 1.385(5) . ?
C7 C11 1.386(6) . ?
C7 C6 1.506(5) 1_455 ?
C8 C9 1.389(5) . ?
C8 H8 0.9300 . ?
C9 N2 1.337(5) . ?
C9 H9 0.9300 . ?
C10 N2 1.340(5) . ?
C10 C11 1.383(6) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 N3 1.341(5) . ?
C12 C13 1.382(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.388(5) 1_545 ?
C13 H13 0.9300 . ?
C14 C13 1.388(5) 1_565 ?
C14 C15 1.392(5) 1_565 ?
C14 C17 1.496(5) . ?
C15 C16 1.373(5) . ?
C15 C14 1.392(5) 1_545 ?
C15 H15 0.9300 . ?
C16 N3 1.347(5) . ?
C16 H16 0.9300 . ?
C17 O2 1.214(4) . ?
C17 C18 1.493(5) . ?
C18 C22 1.393(5) . ?
C18 C19 1.393(5) . ?
C19 C20 1.384(5) . ?
C19 H19 0.9300 . ?
C20 N4 1.345(4) . ?
C20 H20 0.9300 . ?
C21 N4 1.343(5) . ?
C21 C22 1.382(5) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23A N5A 1.135(11) . ?
C23A C24A 1.592(14) . ?
C24A H24A 0.9600 . ?
C24A H24B 0.9600 . ?
C24A H24C 0.9600 . ?
C25 N6 1.139(6) . ?
C25 C26 1.456(7) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
N1 Ag1 2.351(3) . ?
N2 Ag1 2.268(3) . ?
N3 Ag1 2.274(3) . ?
N4 Ag1 2.333(3) . ?
F11 P2 1.596(3) . ?
F12 P2 1.597(3) . ?
F13 P2 1.587(3) . ?
F14 P2 1.578(3) . ?
F15 P2 1.591(3) . ?
F16 P2 1.598(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
N1 C1 C2 123.1(3) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C1 C2 C3 119.2(3) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 H2 120.4 . . ?
C2 C3 C4 118.0(3) . . ?
C2 C3 C6 121.1(3) . . ?
C4 C3 C6 120.7(3) . . ?
C5 C4 C3 118.7(3) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 H4 120.6 . . ?
N1 C5 C4 123.6(3) . . ?
N1 C5 H5 118.2 . . ?
C4 C5 H5 118.2 . . ?
O1 C6 C3 122.0(3) . . ?
O1 C6 C7 122.0(3) . 1_655 ?
C3 C6 C7 116.0(3) . 1_655 ?
C8 C7 C11 118.7(4) . . ?
C8 C7 C6 120.2(4) . 1_455 ?
C11 C7 C6 121.1(4) . 1_455 ?
C7 C8 C9 118.4(4) . . ?
C7 C8 H8 120.8 . . ?
C9 C8 H8 120.8 . . ?
N2 C9 C8 123.5(4) . . ?
N2 C9 H9 118.2 . . ?
C8 C9 H9 118.2 . . ?
N2 C10 C11 123.5(4) . . ?
N2 C10 H10 118.2 . . ?
C11 C10 H10 118.2 . . ?
C10 C11 C7 118.6(4) . . ?
C10 C11 H11 120.7 . . ?
C7 C11 H11 120.7 . . ?
N3 C12 C13 123.1(3) . . ?
N3 C12 H12 118.4 . . ?
C13 C12 H12 118.4 . . ?
C12 C13 C14 119.0(3) . 1_545 ?
C12 C13 H13 120.5 . . ?
C14 C13 H13 120.5 1_545 . ?
C13 C14 C15 118.1(3) 1_565 1_565 ?
C13 C14 C17 121.8(3) 1_565 . ?
C15 C14 C17 120.1(3) 1_565 . ?
C16 C15 C14 119.3(3) . 1_545 ?
C16 C15 H15 120.4 . . ?
C14 C15 H15 120.4 1_545 . ?
N3 C16 C15 123.0(3) . . ?
N3 C16 H16 118.5 . . ?
C15 C16 H16 118.5 . . ?
O2 C17 C18 121.0(3) . . ?
O2 C17 C14 120.7(3) . . ?
C18 C17 C14 118.3(3) . . ?
C22 C18 C19 118.7(3) . . ?
C22 C18 C17 119.2(3) . . ?
C19 C18 C17 122.0(3) . . ?
C20 C19 C18 118.8(3) . . ?
C20 C19 H19 120.6 . . ?
C18 C19 H19 120.6 . . ?
N4 C20 C19 122.8(3) . . ?
N4 C20 H20 118.6 . . ?
C19 C20 H20 118.6 . . ?
N4 C21 C22 123.3(3) . . ?
N4 C21 H21 118.4 . . ?
C22 C21 H21 118.4 . . ?
C21 C22 C18 118.5(3) . . ?
C21 C22 H22 120.7 . . ?
C18 C22 H22 120.7 . . ?
N5A C23A C24A 174.3(11) . . ?
C23A C24A H24A 109.5 . . ?
C23A C24A H24B 109.5 . . ?
H24A C24A H24B 109.5 . . ?
C23A C24A H24C 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
N6 C25 C26 179.3(5) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C5 N1 C1 117.4(3) . . ?
C5 N1 Ag1 119.6(2) . . ?
C1 N1 Ag1 122.5(2) . . ?
C9 N2 C10 117.0(3) . . ?
C9 N2 Ag1 120.6(3) . . ?
C10 N2 Ag1 122.0(3) . . ?
C12 N3 C16 117.5(3) . . ?
C12 N3 Ag1 117.7(2) . . ?
C16 N3 Ag1 123.5(2) . . ?
C21 N4 C20 117.8(3) . . ?
C21 N4 Ag1 125.7(2) . . ?
C20 N4 Ag1 116.5(2) . . ?
F14 P2 F13 91.9(2) . . ?
F14 P2 F15 90.49(19) . . ?
F13 P2 F15 90.57(16) . . ?
F14 P2 F11 178.6(2) . . ?
F13 P2 F11 89.43(19) . . ?
F15 P2 F11 89.83(17) . . ?
F14 P2 F12 91.3(2) . . ?
F13 P2 F12 90.40(18) . . ?
F15 P2 F12 177.97(19) . . ?
F11 P2 F12 88.40(18) . . ?
F14 P2 F16 88.7(2) . . ?
F13 P2 F16 179.3(2) . . ?
F15 P2 F16 89.26(16) . . ?
F11 P2 F16 89.93(19) . . ?
F12 P2 F16 89.75(18) . . ?
N2 Ag1 N3 119.91(11) . . ?
N2 Ag1 N4 113.94(11) . . ?
N3 Ag1 N4 107.00(11) . . ?
N2 Ag1 N1 107.58(11) . . ?
N3 Ag1 N1 111.87(11) . . ?
N4 Ag1 N1 93.42(11) . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        27.14
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.460
_refine_diff_density_min         -1.070
_refine_diff_density_rms         0.113



#===END
_database_code_depnum_ccdc_archive 'CCDC 982470'
