# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1411588'
_audit_update_record             
;
2015-07-08 deposited with the CCDC.
2015-09-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            work
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H40 Ag2 N8, 2(B F4)'
_chemical_formula_sum            'C34 H40 Ag2 B2 F8 N8'
_chemical_formula_weight         950.10

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
N N 0.0061 0.0033 '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
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   8.9739(7)
_cell_length_b                   9.4407(6)
_cell_length_c                   11.7436(8)
_cell_angle_alpha                92.162(5)
_cell_angle_beta                 96.638(6)
_cell_angle_gamma                104.282(6)
_cell_volume                     955.43(12)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             476
_exptl_absorpt_coefficient_mu    1.101
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7858
_exptl_absorpt_correction_T_max  0.8349
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,Version 1.171.35.21 
(release 20-01-2012 CrysAlis171 .NET)(compiled Jan 23 2012,18:06:46).
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Eos'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9149
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.75
_diffrn_reflns_theta_max         27.05
_reflns_number_total             4118
_reflns_number_gt                3632
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0651P)²+2.3981P] 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         4118
_refine_ls_number_parameters     292
_refine_ls_number_restraints     20
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0500
_refine_ls_wR_factor_ref         0.1294
_refine_ls_wR_factor_gt          0.1235
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.13160(4) 0.54768(4) 0.80235(3) 0.02965(13) Uani 1 1 d . . .
N1 N 0.3153(4) 0.4517(4) 0.7835(3) 0.0289(8) Uani 1 1 d . . .
C2 C 0.3230(5) 0.3485(5) 0.7072(4) 0.0306(10) Uani 1 1 d . . .
H2 H 0.2410 0.3018 0.6491 0.037 Uiso 1 1 calc R . .
N3 N 0.4625(4) 0.3178(4) 0.7227(3) 0.0299(8) Uani 1 1 d . . .
C4 C 0.5500(6) 0.4074(6) 0.8144(4) 0.0335(10) Uani 1 1 d . . .
H4 H 0.6533 0.4107 0.8458 0.040 Uiso 1 1 calc R . .
C5 C 0.4576(6) 0.4907(5) 0.8511(4) 0.0325(10) Uani 1 1 d . . .
H5 H 0.4866 0.5636 0.9131 0.039 Uiso 1 1 calc R . .
C6 C 0.5135(6) 0.2024(6) 0.6599(4) 0.0353(11) Uani 1 1 d . . .
H6A H 0.5287 0.1268 0.7131 0.042 Uiso 1 1 calc R . .
H6B H 0.6144 0.2463 0.6333 0.042 Uiso 1 1 calc R . .
C7 C 0.3976(5) 0.1305(5) 0.5576(4) 0.0312(10) Uani 1 1 d . . .
C8 C 0.4120(5) 0.1850(5) 0.4490(4) 0.0275(9) Uani 1 1 d . . .
C9 C 0.3127(5) 0.1071(5) 0.3514(4) 0.0280(9) Uani 1 1 d . . .
C10 C 0.1967(5) -0.0178(5) 0.3653(5) 0.0338(10) Uani 1 1 d . . .
C11 C 0.1804(6) -0.0642(5) 0.4751(5) 0.0375(11) Uani 1 1 d . . .
H11 H 0.0987 -0.1468 0.4849 0.045 Uiso 1 1 calc R . .
C12 C 0.2803(6) 0.0065(5) 0.5712(4) 0.0355(11) Uani 1 1 d . . .
C13 C 0.5307(5) 0.3247(5) 0.4355(5) 0.0345(10) Uani 1 1 d . . .
H13A H 0.5536 0.3860 0.5077 0.052 Uiso 1 1 calc R . .
H13B H 0.4900 0.3774 0.3739 0.052 Uiso 1 1 calc R . .
H13C H 0.6258 0.3016 0.4162 0.052 Uiso 1 1 calc R . .
C14 C 0.0898(6) -0.1049(6) 0.2633(6) 0.0478(14) Uani 1 1 d . . .
H14A H 0.0315 -0.0421 0.2236 0.072 Uiso 1 1 calc R . .
H14B H 0.0173 -0.1887 0.2902 0.072 Uiso 1 1 calc R . .
H14C H 0.1515 -0.1401 0.2102 0.072 Uiso 1 1 calc R . .
C15 C 0.2590(8) -0.0530(6) 0.6881(5) 0.0478(14) Uani 1 1 d . . .
H15A H 0.3435 -0.0981 0.7130 0.072 Uiso 1 1 calc R . .
H15B H 0.1596 -0.1265 0.6829 0.072 Uiso 1 1 calc R . .
H15C H 0.2602 0.0273 0.7438 0.072 Uiso 1 1 calc R . .
C16 C 0.3370(5) 0.1542(5) 0.2320(4) 0.0312(10) Uani 1 1 d . . .
H16A H 0.4405 0.2233 0.2353 0.037 Uiso 1 1 calc R . .
H16B H 0.3361 0.0672 0.1818 0.037 Uiso 1 1 calc R . .
N17 N 0.2184(4) 0.2253(4) 0.1801(3) 0.0305(8) Uani 1 1 d . . .
C18 C 0.1363(5) 0.3008(5) 0.2350(4) 0.0296(9) Uani 1 1 d . . .
H18 H 0.1438 0.3153 0.3161 0.035 Uiso 1 1 calc R . .
N19 N 0.0433(4) 0.3523(4) 0.1607(3) 0.0303(8) Uani 1 1 d . . .
C20 C 0.0694(6) 0.3075(7) 0.0524(5) 0.0434(13) Uani 1 1 d . . .
H20 H 0.0191 0.3279 -0.0185 0.052 Uiso 1 1 calc R . .
C21 C 0.1779(6) 0.2301(7) 0.0640(4) 0.0425(12) Uani 1 1 d . . .
H21 H 0.2183 0.1875 0.0038 0.051 Uiso 1 1 calc R . .
B22 B 0.0323(14) 0.5105(15) 0.4779(10) 0.038(3) Uani 0.50 1 d PDU A -1
F23 F -0.1174(9) 0.4641(12) 0.4406(8) 0.075(2) Uani 0.50 1 d PDU A -1
F24 F 0.1089(7) 0.5832(6) 0.3924(5) 0.0408(13) Uani 0.50 1 d P A -1
F25 F 0.0681(9) 0.6109(7) 0.5789(5) 0.0454(15) Uani 0.50 1 d P A -1
F26 F 0.1000(8) 0.3997(7) 0.5043(6) 0.0486(15) Uani 0.50 1 d PU A -1
B27 B 0.4073(11) 0.8851(11) 0.9991(8) 0.032(2) Uani 0.50 1 d PDU B -1
F28 F 0.3091(8) 0.8398(8) 1.0794(6) 0.0498(16) Uani 0.50 1 d PD B -1
F29 F 0.3936(11) 1.0220(8) 0.9644(7) 0.0476(19) Uani 0.50 1 d PD B -1
F30 F 0.5626(9) 0.9024(11) 1.0482(8) 0.0513(19) Uani 0.50 1 d PD B -1
F31 F 0.3716(7) 0.7823(7) 0.9088(5) 0.0436(14) Uani 0.50 1 d PD B -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.096(4) . ?
Ag1 N19 2.098(4) 2_566 ?
N1 C2 1.319(6) . ?
N1 C5 1.382(6) . ?
C2 N3 1.347(6) . ?
C2 H2 0.9500 . ?
N3 C4 1.379(6) . ?
N3 C6 1.484(6) . ?
C4 C5 1.367(7) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.513(7) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C12 1.396(7) . ?
C7 C8 1.401(7) . ?
C8 C9 1.423(6) . ?
C8 C13 1.503(7) . ?
C9 C10 1.396(7) . ?
C9 C16 1.511(7) . ?
C10 C11 1.390(8) . ?
C10 C14 1.517(7) . ?
C11 C12 1.392(8) . ?
C11 H11 0.9500 . ?
C12 C15 1.517(7) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 N17 1.480(6) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
N17 C18 1.342(6) . ?
N17 C21 1.375(7) . ?
C18 N19 1.326(6) . ?
C18 H18 0.9500 . ?
N19 C20 1.388(6) . ?
N19 Ag1 2.098(4) 2_566 ?
C20 C21 1.352(7) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
B22 F23 1.323(13) . ?
B22 F26 1.362(15) . ?
B22 F24 1.389(13) . ?
B22 F25 1.443(14) . ?
B27 F31 1.364(10) . ?
B27 F28 1.373(11) . ?
B27 F29 1.399(11) . ?
B27 F30 1.413(11) . ?

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 N19 174.08(15) . 2_566 ?
C2 N1 C5 106.3(4) . . ?
C2 N1 Ag1 129.1(3) . . ?
C5 N1 Ag1 124.6(3) . . ?
N1 C2 N3 111.0(4) . . ?
N1 C2 H2 124.5 . . ?
N3 C2 H2 124.5 . . ?
C2 N3 C4 107.6(4) . . ?
C2 N3 C6 127.6(4) . . ?
C4 N3 C6 124.7(4) . . ?
C5 C4 N3 105.9(4) . . ?
C5 C4 H4 127.0 . . ?
N3 C4 H4 127.0 . . ?
C4 C5 N1 109.1(4) . . ?
C4 C5 H5 125.4 . . ?
N1 C5 H5 125.4 . . ?
N3 C6 C7 112.3(4) . . ?
N3 C6 H6A 109.1 . . ?
C7 C6 H6A 109.1 . . ?
N3 C6 H6B 109.1 . . ?
C7 C6 H6B 109.1 . . ?
H6A C6 H6B 107.9 . . ?
C12 C7 C8 120.4(5) . . ?
C12 C7 C6 119.6(5) . . ?
C8 C7 C6 119.9(4) . . ?
C7 C8 C9 119.3(4) . . ?
C7 C8 C13 120.4(4) . . ?
C9 C8 C13 120.3(4) . . ?
C10 C9 C8 120.0(4) . . ?
C10 C9 C16 119.5(4) . . ?
C8 C9 C16 120.4(4) . . ?
C11 C10 C9 119.0(5) . . ?
C11 C10 C14 119.4(5) . . ?
C9 C10 C14 121.6(5) . . ?
C10 C11 C12 122.0(5) . . ?
C10 C11 H11 119.0 . . ?
C12 C11 H11 119.0 . . ?
C11 C12 C7 119.1(5) . . ?
C11 C12 C15 119.2(5) . . ?
C7 C12 C15 121.7(5) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N17 C16 C9 113.4(4) . . ?
N17 C16 H16A 108.9 . . ?
C9 C16 H16A 108.9 . . ?
N17 C16 H16B 108.9 . . ?
C9 C16 H16B 108.9 . . ?
H16A C16 H16B 107.7 . . ?
C18 N17 C21 107.7(4) . . ?
C18 N17 C16 127.4(4) . . ?
C21 N17 C16 124.8(4) . . ?
N19 C18 N17 110.9(4) . . ?
N19 C18 H18 124.6 . . ?
N17 C18 H18 124.6 . . ?
C18 N19 C20 105.8(4) . . ?
C18 N19 Ag1 127.1(3) . 2_566 ?
C20 N19 Ag1 126.4(3) . 2_566 ?
C21 C20 N19 109.1(4) . . ?
C21 C20 H20 125.4 . . ?
N19 C20 H20 125.4 . . ?
C20 C21 N17 106.5(4) . . ?
C20 C21 H21 126.8 . . ?
N17 C21 H21 126.8 . . ?
F23 B22 F26 113.1(11) . . ?
F23 B22 F24 109.4(10) . . ?
F26 B22 F24 106.6(9) . . ?
F23 B22 F25 114.2(10) . . ?
F26 B22 F25 106.1(9) . . ?
F24 B22 F25 107.0(9) . . ?
F31 B27 F28 108.8(8) . . ?
F31 B27 F29 111.6(8) . . ?
F28 B27 F29 109.5(8) . . ?
F31 B27 F30 109.7(8) . . ?
F28 B27 F30 110.0(8) . . ?
F29 B27 F30 107.2(8) . . ?

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
C5 N1 C2 N3 0.5(5) . . . . ?
Ag1 N1 C2 N3 179.1(3) . . . . ?
N1 C2 N3 C4 -0.2(6) . . . . ?
N1 C2 N3 C6 175.7(4) . . . . ?
C2 N3 C4 C5 -0.2(5) . . . . ?
C6 N3 C4 C5 -176.3(5) . . . . ?
N3 C4 C5 N1 0.5(6) . . . . ?
C2 N1 C5 C4 -0.6(5) . . . . ?
Ag1 N1 C5 C4 -179.4(3) . . . . ?
C2 N3 C6 C7 9.2(7) . . . . ?
C4 N3 C6 C7 -175.5(5) . . . . ?
N3 C6 C7 C12 -90.4(5) . . . . ?
N3 C6 C7 C8 92.1(5) . . . . ?
C12 C7 C8 C9 -4.3(6) . . . . ?
C6 C7 C8 C9 173.3(4) . . . . ?
C12 C7 C8 C13 175.5(4) . . . . ?
C6 C7 C8 C13 -7.0(6) . . . . ?
C7 C8 C9 C10 3.5(6) . . . . ?
C13 C8 C9 C10 -176.3(4) . . . . ?
C7 C8 C9 C16 -173.4(4) . . . . ?
C13 C8 C9 C16 6.9(6) . . . . ?
C8 C9 C10 C11 0.0(6) . . . . ?
C16 C9 C10 C11 176.8(4) . . . . ?
C8 C9 C10 C14 -179.2(4) . . . . ?
C16 C9 C10 C14 -2.4(6) . . . . ?
C9 C10 C11 C12 -2.7(7) . . . . ?
C14 C10 C11 C12 176.5(4) . . . . ?
C10 C11 C12 C7 1.9(7) . . . . ?
C10 C11 C12 C15 -178.0(4) . . . . ?
C8 C7 C12 C11 1.6(7) . . . . ?
C6 C7 C12 C11 -175.9(4) . . . . ?
C8 C7 C12 C15 -178.4(4) . . . . ?
C6 C7 C12 C15 4.1(7) . . . . ?
C10 C9 C16 N17 75.9(5) . . . . ?
C8 C9 C16 N17 -107.2(5) . . . . ?
C9 C16 N17 C18 27.9(7) . . . . ?
C9 C16 N17 C21 -155.1(5) . . . . ?
C21 N17 C18 N19 0.9(6) . . . . ?
C16 N17 C18 N19 178.3(4) . . . . ?
N17 C18 N19 C20 -0.5(6) . . . . ?
N17 C18 N19 Ag1 170.9(3) . . . 2_566 ?
C18 N19 C20 C21 -0.1(6) . . . . ?
Ag1 N19 C20 C21 -171.7(4) 2_566 . . . ?
N19 C20 C21 N17 0.7(7) . . . . ?
C18 N17 C21 C20 -1.0(6) . . . . ?
C16 N17 C21 C20 -178.4(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         2.976
_refine_diff_density_min         -1.035
_refine_diff_density_rms         0.124
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2a
_database_code_depnum_ccdc_archive 'CCDC 1411589'
_audit_update_record             
;
2015-07-08 deposited with the CCDC.
2015-09-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            work
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H40 Ag2 N8, 2(B F4), 2(C2 H3 N)'
_chemical_formula_sum            'C38 H46 Ag2 B2 F8 N10'
_chemical_formula_weight         1032.21

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'
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'
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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   8.7304(7)
_cell_length_b                   9.6666(9)
_cell_length_c                   13.3193(10)
_cell_angle_alpha                96.972(7)
_cell_angle_beta                 100.487(6)
_cell_angle_gamma                104.709(7)
_cell_volume                     1052.33(15)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             520
_exptl_absorpt_coefficient_mu    1.008
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8013
_exptl_absorpt_correction_T_max  0.8473
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,Version 1.171.35.21 
(release 20-01-2012 CrysAlis171 .NET)(compiled Jan 23 2012,18:06:46).
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15189
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_sigmaI/netI    0.0486
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.47
_diffrn_reflns_theta_max         29.23
_reflns_number_total             5062
_reflns_number_gt                4095
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0790P)²+2.4167P] 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         5062
_refine_ls_number_parameters     320
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0575
_refine_ls_wR_factor_ref         0.1574
_refine_ls_wR_factor_gt          0.1416
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.092
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.00430(4) 0.04452(4) 0.27164(3) 0.03362(15) Uani 1 1 d . . .
N1 N -0.1902(5) 0.1380(5) 0.2569(3) 0.0320(9) Uani 1 1 d . . .
C2 C -0.2385(6) 0.2082(5) 0.1843(4) 0.0315(10) Uani 1 1 d . . .
H2 H -0.1874 0.2274 0.1282 0.038 Uiso 1 1 calc R . .
N3 N -0.3692(5) 0.2489(5) 0.1997(3) 0.0353(9) Uani 1 1 d . . .
C4 C -0.4078(7) 0.2012(7) 0.2873(4) 0.0420(13) Uani 1 1 d . . .
H4 H -0.4951 0.2135 0.3175 0.050 Uiso 1 1 calc R . .
C5 C -0.2960(7) 0.1330(7) 0.3220(4) 0.0430(13) Uani 1 1 d . . .
H5 H -0.2916 0.0886 0.3819 0.052 Uiso 1 1 calc R . .
C6 C -0.4573(6) 0.3320(6) 0.1379(5) 0.0409(12) Uani 1 1 d . . .
H6A H -0.4615 0.4187 0.1841 0.049 Uiso 1 1 calc R . .
H6B H -0.5703 0.2713 0.1087 0.049 Uiso 1 1 calc R . .
C7 C -0.3800(6) 0.3808(6) 0.0496(4) 0.0357(11) Uani 1 1 d . . .
C8 C -0.4376(6) 0.2988(6) -0.0504(4) 0.0375(12) Uani 1 1 d . . .
C9 C -0.3788(6) 0.3532(6) -0.1331(4) 0.0375(11) Uani 1 1 d . . .
C10 C -0.2555(6) 0.4840(6) -0.1145(4) 0.0391(12) Uani 1 1 d . . .
C11 C -0.1923(6) 0.5599(6) -0.0130(4) 0.0363(11) Uani 1 1 d . . .
H11 H -0.1050 0.6464 0.0004 0.044 Uiso 1 1 calc R . .
C12 C -0.2560(6) 0.5103(6) 0.0691(4) 0.0361(11) Uani 1 1 d . . .
C13 C -0.5618(7) 0.1527(6) -0.0700(5) 0.0475(14) Uani 1 1 d . . .
H13A H -0.5512 0.1093 -0.0073 0.071 Uiso 1 1 calc R . .
H13B H -0.5439 0.0891 -0.1272 0.071 Uiso 1 1 calc R . .
H13C H -0.6710 0.1647 -0.0884 0.071 Uiso 1 1 calc R . .
C14 C -0.1898(7) 0.5468(8) -0.2015(5) 0.0489(14) Uani 1 1 d . . .
H14A H -0.1393 0.4801 -0.2354 0.073 Uiso 1 1 calc R . .
H14B H -0.1086 0.6407 -0.1734 0.073 Uiso 1 1 calc R . .
H14C H -0.2788 0.5604 -0.2522 0.073 Uiso 1 1 calc R . .
C15 C -0.1869(7) 0.5979(6) 0.1773(5) 0.0424(12) Uani 1 1 d . . .
H15A H -0.2703 0.6359 0.2014 0.064 Uiso 1 1 calc R . .
H15B H -0.0935 0.6790 0.1763 0.064 Uiso 1 1 calc R . .
H15C H -0.1521 0.5356 0.2242 0.064 Uiso 1 1 calc R . .
C16 C -0.4547(7) 0.2747(7) -0.2441(4) 0.0453(14) Uani 1 1 d . . .
H16A H -0.5636 0.2098 -0.2463 0.054 Uiso 1 1 calc R . .
H16B H -0.4693 0.3473 -0.2886 0.054 Uiso 1 1 calc R . .
N17 N -0.3582(5) 0.1883(5) -0.2868(3) 0.0371(10) Uani 1 1 d . . .
C18 C -0.2524(6) 0.1267(6) -0.2356(4) 0.0339(10) Uani 1 1 d . . .
H18 H -0.2213 0.1390 -0.1622 0.041 Uiso 1 1 calc R . .
N19 N -0.1980(5) 0.0483(5) -0.2997(3) 0.0372(10) Uani 1 1 d . . .
C20 C -0.2740(10) 0.0571(12) -0.3967(5) 0.082(3) Uani 1 1 d . . .
H20 H -0.2596 0.0098 -0.4597 0.098 Uiso 1 1 calc R . .
C21 C -0.3737(9) 0.1439(10) -0.3897(5) 0.068(2) Uani 1 1 d . . .
H21 H -0.4405 0.1685 -0.4454 0.082 Uiso 1 1 calc R . .
B22 B 0.030(2) 0.020(3) 0.0122(17) 0.042(5) Uani 0.50 1 d PDU A -1
F23 F 0.0901(9) -0.0974(7) -0.0126(6) 0.0541(17) Uani 0.50 1 d PU A -1
F24 F 0.0309(8) 0.0923(7) -0.0764(5) 0.0434(15) Uani 0.50 1 d P A -1
F25 F -0.1076(13) -0.0236(14) 0.0373(9) 0.090(3) Uani 0.50 1 d PDU A -1
F26 F 0.1439(11) 0.1113(8) 0.0927(5) 0.060(2) Uani 0.50 1 d PD A -1
B27 B -0.470(2) 0.463(3) 0.4877(13) 0.114(7) Uani 0.50 1 d PDU B -1
F28 F -0.3338(12) 0.4491(12) 0.5390(7) 0.080(3) Uani 0.50 1 d PD B -1
F29 F -0.4327(11) 0.5125(9) 0.3962(7) 0.072(2) Uani 0.50 1 d PU B -1
F30 F -0.509(3) 0.564(3) 0.5424(17) 0.152(5) Uani 0.50 1 d PU B -1
F31 F -0.5892(12) 0.3395(10) 0.4552(8) 0.072(2) Uani 0.50 1 d PD B -1
N32 N -0.1592(7) -0.1380(6) 0.4098(4) 0.0519(13) Uani 1 1 d . . .
C33 C -0.1179(8) -0.2301(8) 0.4380(5) 0.0537(15) Uani 1 1 d . . .
C34 C -0.0624(15) -0.3485(9) 0.4738(7) 0.092(3) Uani 1 1 d . . .
H34A H 0.0275 -0.3606 0.4423 0.138 Uiso 1 1 calc R . .
H34B H -0.1519 -0.4384 0.4539 0.138 Uiso 1 1 calc R . .
H34C H -0.0251 -0.3264 0.5495 0.138 Uiso 1 1 calc R . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N19 2.104(4) 2 ?
Ag1 N1 2.107(4) . ?
N1 C2 1.315(6) . ?
N1 C5 1.374(7) . ?
C2 N3 1.339(6) . ?
C2 H2 0.9500 . ?
N3 C4 1.373(7) . ?
N3 C6 1.468(6) . ?
C4 C5 1.355(7) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.524(8) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C12 1.392(8) . ?
C7 C8 1.398(8) . ?
C8 C9 1.401(8) . ?
C8 C13 1.505(8) . ?
C9 C10 1.399(8) . ?
C9 C16 1.522(8) . ?
C10 C11 1.397(8) . ?
C10 C14 1.509(8) . ?
C11 C12 1.395(8) . ?
C11 H11 0.9500 . ?
C12 C15 1.512(8) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 N17 1.465(7) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
N17 C18 1.349(6) . ?
N17 C21 1.357(8) . ?
C18 N19 1.305(7) . ?
C18 H18 0.9500 . ?
N19 C20 1.364(7) . ?
N19 Ag1 2.104(4) 2 ?
C20 C21 1.361(9) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
B22 F25 1.289(16) . ?
B22 F26 1.362(14) . ?
B22 F23 1.39(3) . ?
B22 F24 1.44(3) . ?
B27 F30 1.29(2) . ?
B27 F28 1.306(19) . ?
B27 F31 1.332(18) . ?
B27 F29 1.43(2) . ?
N32 C33 1.122(8) . ?
C33 C34 1.450(10) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?

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
N19 Ag1 N1 175.17(15) 2 . ?
C2 N1 C5 106.1(4) . . ?
C2 N1 Ag1 128.3(3) . . ?
C5 N1 Ag1 125.6(3) . . ?
N1 C2 N3 111.1(5) . . ?
N1 C2 H2 124.5 . . ?
N3 C2 H2 124.5 . . ?
C2 N3 C4 107.5(4) . . ?
C2 N3 C6 128.1(5) . . ?
C4 N3 C6 124.4(4) . . ?
C5 C4 N3 106.0(4) . . ?
C5 C4 H4 127.0 . . ?
N3 C4 H4 127.0 . . ?
C4 C5 N1 109.3(5) . . ?
C4 C5 H5 125.3 . . ?
N1 C5 H5 125.3 . . ?
N3 C6 C7 113.1(4) . . ?
N3 C6 H6A 109.0 . . ?
C7 C6 H6A 109.0 . . ?
N3 C6 H6B 109.0 . . ?
C7 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
C12 C7 C8 120.6(5) . . ?
C12 C7 C6 119.2(5) . . ?
C8 C7 C6 120.1(5) . . ?
C7 C8 C9 119.6(5) . . ?
C7 C8 C13 120.6(5) . . ?
C9 C8 C13 119.8(5) . . ?
C10 C9 C8 120.1(5) . . ?
C10 C9 C16 119.6(5) . . ?
C8 C9 C16 120.3(5) . . ?
C11 C10 C9 119.4(5) . . ?
C11 C10 C14 118.9(5) . . ?
C9 C10 C14 121.7(5) . . ?
C12 C11 C10 120.8(5) . . ?
C12 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
C7 C12 C11 119.3(5) . . ?
C7 C12 C15 121.7(5) . . ?
C11 C12 C15 119.0(5) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N17 C16 C9 113.6(4) . . ?
N17 C16 H16A 108.8 . . ?
C9 C16 H16A 108.8 . . ?
N17 C16 H16B 108.8 . . ?
C9 C16 H16B 108.8 . . ?
H16A C16 H16B 107.7 . . ?
C18 N17 C21 107.2(4) . . ?
C18 N17 C16 128.5(5) . . ?
C21 N17 C16 124.0(4) . . ?
N19 C18 N17 111.4(4) . . ?
N19 C18 H18 124.3 . . ?
N17 C18 H18 124.3 . . ?
C18 N19 C20 105.8(4) . . ?
C18 N19 Ag1 130.1(4) . 2 ?
C20 N19 Ag1 123.2(4) . 2 ?
C21 C20 N19 109.7(6) . . ?
C21 C20 H20 125.2 . . ?
N19 C20 H20 125.2 . . ?
N17 C21 C20 105.9(5) . . ?
N17 C21 H21 127.0 . . ?
C20 C21 H21 127.0 . . ?
F25 B22 F26 111.3(15) . . ?
F25 B22 F23 110.6(18) . . ?
F26 B22 F23 106.3(19) . . ?
F25 B22 F24 116(2) . . ?
F26 B22 F24 106.9(15) . . ?
F23 B22 F24 104.8(12) . . ?
F30 B27 F28 108.0(16) . . ?
F30 B27 F31 114.1(14) . . ?
F28 B27 F31 115(2) . . ?
F30 B27 F29 109(2) . . ?
F28 B27 F29 104.9(13) . . ?
F31 B27 F29 105.7(12) . . ?
N32 C33 C34 179.1(9) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?

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
C5 N1 C2 N3 0.3(6) . . . . ?
Ag1 N1 C2 N3 178.6(3) . . . . ?
N1 C2 N3 C4 -0.4(6) . . . . ?
N1 C2 N3 C6 178.4(5) . . . . ?
C2 N3 C4 C5 0.3(7) . . . . ?
C6 N3 C4 C5 -178.6(5) . . . . ?
N3 C4 C5 N1 -0.1(7) . . . . ?
C2 N1 C5 C4 -0.1(7) . . . . ?
Ag1 N1 C5 C4 -178.4(4) . . . . ?
C2 N3 C6 C7 -3.1(8) . . . . ?
C4 N3 C6 C7 175.5(5) . . . . ?
N3 C6 C7 C12 -86.1(6) . . . . ?
N3 C6 C7 C8 96.3(6) . . . . ?
C12 C7 C8 C9 -5.0(7) . . . . ?
C6 C7 C8 C9 172.6(4) . . . . ?
C12 C7 C8 C13 174.8(4) . . . . ?
C6 C7 C8 C13 -7.6(7) . . . . ?
C7 C8 C9 C10 4.2(7) . . . . ?
C13 C8 C9 C10 -175.6(4) . . . . ?
C7 C8 C9 C16 -172.5(4) . . . . ?
C13 C8 C9 C16 7.7(7) . . . . ?
C8 C9 C10 C11 -0.3(7) . . . . ?
C16 C9 C10 C11 176.5(4) . . . . ?
C8 C9 C10 C14 -179.5(5) . . . . ?
C16 C9 C10 C14 -2.8(7) . . . . ?
C9 C10 C11 C12 -3.0(7) . . . . ?
C14 C10 C11 C12 176.2(5) . . . . ?
C8 C7 C12 C11 1.7(7) . . . . ?
C6 C7 C12 C11 -175.9(4) . . . . ?
C8 C7 C12 C15 -177.5(4) . . . . ?
C6 C7 C12 C15 4.9(7) . . . . ?
C10 C11 C12 C7 2.3(7) . . . . ?
C10 C11 C12 C15 -178.4(4) . . . . ?
C10 C9 C16 N17 80.9(6) . . . . ?
C8 C9 C16 N17 -102.4(6) . . . . ?
C9 C16 N17 C18 26.7(9) . . . . ?
C9 C16 N17 C21 -160.2(6) . . . . ?
C21 N17 C18 N19 1.1(7) . . . . ?
C16 N17 C18 N19 175.1(5) . . . . ?
N17 C18 N19 C20 -1.1(8) . . . . ?
N17 C18 N19 Ag1 168.1(4) . . . 2 ?
C18 N19 C20 C21 0.7(10) . . . . ?
Ag1 N19 C20 C21 -169.4(6) 2 . . . ?
C18 N17 C21 C20 -0.6(9) . . . . ?
C16 N17 C21 C20 -174.9(7) . . . . ?
N19 C20 C21 N17 -0.1(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.886
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.298
_refine_diff_density_min         -0.961
_refine_diff_density_rms         0.140
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2b
_database_code_depnum_ccdc_archive 'CCDC 1411590'
_audit_update_record             
;
2015-07-08 deposited with the CCDC.
2015-09-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            work
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H40 Ag2 N8, 2(B F4), C2 H3 N'
_chemical_formula_sum            'C36 H43 Ag2 B2 F8 N9'
_chemical_formula_weight         991.15

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   10.1464(11)
_cell_length_b                   14.2825(14)
_cell_length_c                   15.3309(17)
_cell_angle_alpha                111.046(10)
_cell_angle_beta                 97.101(9)
_cell_angle_gamma                101.812(9)
_cell_volume                     1981.8(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             996
_exptl_absorpt_coefficient_mu    1.066
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7916
_exptl_absorpt_correction_T_max  0.8651
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,Version 1.171.35.21 
(release 20-01-2012 CrysAlis171 .NET)(compiled Jan 23 2012,18:06:46).
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17972
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_av_sigmaI/netI    0.0829
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.60
_diffrn_reflns_theta_max         30.20
_reflns_number_total             9706
_reflns_number_gt                6367
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0713P)²+0.8761P] 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         9706
_refine_ls_number_parameters     521
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1015
_refine_ls_R_factor_gt           0.0575
_refine_ls_wR_factor_ref         0.1592
_refine_ls_wR_factor_gt          0.1281
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.50892(4) 0.37851(3) 0.15233(3) 0.03082(12) Uani 1 1 d . . .
N1 N 0.4152(5) 0.4795(3) 0.2439(3) 0.0289(9) Uani 1 1 d . . .
Ag2 Ag 0.45905(4) 0.02525(3) 0.37815(3) 0.03009(12) Uani 1 1 d . . .
C2 C 0.3362(6) 0.4642(4) 0.3035(4) 0.0286(11) Uani 1 1 d . . .
H2 H 0.3124 0.4014 0.3133 0.034 Uiso 1 1 calc R . .
N3 N 0.2951(5) 0.5486(3) 0.3475(3) 0.0286(9) Uani 1 1 d . . .
C4 C 0.3515(6) 0.6243(4) 0.3165(4) 0.0355(13) Uani 1 1 d . . .
H4 H 0.3406 0.6928 0.3360 0.043 Uiso 1 1 calc R . .
C5 C 0.4253(6) 0.5815(4) 0.2532(4) 0.0349(13) Uani 1 1 d . . .
H5 H 0.4764 0.6156 0.2201 0.042 Uiso 1 1 calc R . .
C6 C 0.2058(5) 0.5641(4) 0.4183(4) 0.0292(11) Uani 1 1 d . . .
H6A H 0.1361 0.5973 0.4009 0.035 Uiso 1 1 calc R . .
H6B H 0.2630 0.6121 0.4822 0.035 Uiso 1 1 calc R . .
C7 C 0.1319(6) 0.4621(4) 0.4241(4) 0.0269(11) Uani 1 1 d . . .
C8 C 0.1903(5) 0.4274(4) 0.4906(4) 0.0266(11) Uani 1 1 d . . .
C9 C 0.1126(5) 0.3391(4) 0.5013(3) 0.0265(11) Uani 1 1 d . . .
C10 C -0.0190(6) 0.2879(4) 0.4452(4) 0.0272(11) Uani 1 1 d . . .
C11 C -0.0726(5) 0.3207(4) 0.3765(4) 0.0273(11) Uani 1 1 d . . .
H11 H -0.1618 0.2836 0.3372 0.033 Uiso 1 1 calc R . .
C12 C 0.0023(6) 0.4072(4) 0.3644(4) 0.0304(12) Uani 1 1 d . . .
C13 C 0.3342(6) 0.4852(4) 0.5521(4) 0.0332(12) Uani 1 1 d . . .
H13A H 0.3847 0.5266 0.5218 0.050 Uiso 1 1 calc R . .
H13B H 0.3833 0.4349 0.5587 0.050 Uiso 1 1 calc R . .
H13C H 0.3274 0.5315 0.6155 0.050 Uiso 1 1 calc R . .
C14 C -0.1121(6) 0.1964(4) 0.4567(4) 0.0330(12) Uani 1 1 d . . .
H14A H -0.0797 0.1341 0.4295 0.049 Uiso 1 1 calc R . .
H14B H -0.2069 0.1834 0.4231 0.049 Uiso 1 1 calc R . .
H14C H -0.1095 0.2130 0.5248 0.049 Uiso 1 1 calc R . .
C15 C -0.0617(6) 0.4411(4) 0.2897(4) 0.0338(12) Uani 1 1 d . . .
H15A H -0.0898 0.5044 0.3217 0.051 Uiso 1 1 calc R . .
H15B H -0.1425 0.3856 0.2468 0.051 Uiso 1 1 calc R . .
H15C H 0.0061 0.4553 0.2526 0.051 Uiso 1 1 calc R . .
C16 C 0.1715(6) 0.3016(4) 0.5749(4) 0.0276(11) Uani 1 1 d . . .
H16A H 0.2537 0.3564 0.6192 0.033 Uiso 1 1 calc R . .
H16B H 0.1021 0.2911 0.6130 0.033 Uiso 1 1 calc R . .
N17 N 0.2106(5) 0.2042(3) 0.5321(3) 0.0284(9) Uani 1 1 d . . .
C18 C 0.3155(5) 0.1914(4) 0.4871(4) 0.0275(11) Uani 1 1 d . . .
H18 H 0.3762 0.2458 0.4782 0.033 Uiso 1 1 calc R . .
N19 N 0.3240(5) 0.0937(3) 0.4567(3) 0.0294(10) Uani 1 1 d . . .
C20 C 0.2162(6) 0.0403(4) 0.4830(4) 0.0309(12) Uani 1 1 d . . .
H20 H 0.1945 -0.0319 0.4702 0.037 Uiso 1 1 calc R . .
C21 C 0.1475(5) 0.1068(4) 0.5295(4) 0.0287(11) Uani 1 1 d . . .
H21 H 0.0701 0.0904 0.5557 0.034 Uiso 1 1 calc R . .
N22 N 0.5844(5) -0.0577(3) 0.3010(3) 0.0302(10) Uani 1 1 d . . .
C23 C 0.6620(6) -0.0340(4) 0.2442(4) 0.0303(11) Uani 1 1 d . . .
H23 H 0.6708 0.0269 0.2311 0.036 Uiso 1 1 calc R . .
N24 N 0.7260(5) -0.1079(3) 0.2079(3) 0.0313(10) Uani 1 1 d . . .
C25 C 0.6870(6) -0.1845(4) 0.2418(4) 0.0326(12) Uani 1 1 d . . .
H25 H 0.7152 -0.2468 0.2279 0.039 Uiso 1 1 calc R . .
C26 C 0.5998(6) -0.1518(4) 0.2993(4) 0.0314(12) Uani 1 1 d . . .
H26 H 0.5559 -0.1885 0.3333 0.038 Uiso 1 1 calc R . .
C27 C 0.8169(6) -0.1163(4) 0.1379(4) 0.0342(12) Uani 1 1 d . . .
H27A H 0.7651 -0.1712 0.0752 0.041 Uiso 1 1 calc R . .
H27B H 0.8967 -0.1386 0.1594 0.041 Uiso 1 1 calc R . .
C28 C 0.8703(6) -0.0157(4) 0.1245(4) 0.0300(11) Uani 1 1 d . . .
C29 C 0.8006(5) 0.0020(4) 0.0484(4) 0.0271(11) Uani 1 1 d . . .
C30 C 0.8594(5) 0.0889(4) 0.0299(4) 0.0284(11) Uani 1 1 d . . .
C31 C 0.9836(6) 0.1620(4) 0.0913(4) 0.0330(12) Uani 1 1 d . . .
C32 C 1.0449(6) 0.1441(4) 0.1674(4) 0.0331(12) Uani 1 1 d . . .
H32 H 1.1263 0.1937 0.2097 0.040 Uiso 1 1 calc R . .
C33 C 0.9917(6) 0.0562(4) 0.1844(4) 0.0348(12) Uani 1 1 d . . .
C34 C 0.6635(6) -0.0734(4) -0.0131(4) 0.0334(12) Uani 1 1 d . . .
H34A H 0.6096 -0.0368 -0.0400 0.050 Uiso 1 1 calc R . .
H34B H 0.6121 -0.1012 0.0264 0.050 Uiso 1 1 calc R . .
H34C H 0.6804 -0.1308 -0.0651 0.050 Uiso 1 1 calc R . .
C35 C 1.0474(6) 0.2579(4) 0.0752(4) 0.0423(14) Uani 1 1 d . . .
H35A H 1.1346 0.2963 0.1220 0.063 Uiso 1 1 calc R . .
H35B H 0.9843 0.3024 0.0828 0.063 Uiso 1 1 calc R . .
H35C H 1.0648 0.2372 0.0103 0.063 Uiso 1 1 calc R . .
C36 C 1.0687(7) 0.0427(5) 0.2682(4) 0.0452(15) Uani 1 1 d . . .
H36A H 1.0034 0.0234 0.3049 0.068 Uiso 1 1 calc R . .
H36B H 1.1372 0.1083 0.3094 0.068 Uiso 1 1 calc R . .
H36C H 1.1152 -0.0122 0.2445 0.068 Uiso 1 1 calc R . .
C37 C 0.7947(6) 0.1035(4) -0.0562(4) 0.0296(11) Uani 1 1 d . . .
H37A H 0.8683 0.1296 -0.0852 0.036 Uiso 1 1 calc R . .
H37B H 0.7369 0.0353 -0.1044 0.036 Uiso 1 1 calc R . .
N38 N 0.7082(5) 0.1777(3) -0.0322(3) 0.0275(9) Uani 1 1 d . . .
C39 C 0.6729(6) 0.2232(4) 0.0523(4) 0.0295(11) Uani 1 1 d . . .
H39 H 0.6993 0.2110 0.1080 0.035 Uiso 1 1 calc R . .
N40 N 0.5973(5) 0.2869(3) 0.0473(3) 0.0308(10) Uani 1 1 d . . .
C41 C 0.5817(6) 0.2817(4) -0.0461(4) 0.0320(12) Uani 1 1 d . . .
H41 H 0.5314 0.3190 -0.0712 0.038 Uiso 1 1 calc R . .
C42 C 0.6497(6) 0.2148(4) -0.0954(4) 0.0325(12) Uani 1 1 d . . .
H42 H 0.6561 0.1969 -0.1604 0.039 Uiso 1 1 calc R . .
B43 B 0.5049(6) 0.2157(5) 0.2913(5) 0.0312(14) Uani 1 1 d . . .
F44 F 0.3911(4) 0.2553(3) 0.2818(3) 0.0565(10) Uani 1 1 d . . .
F45 F 0.4624(4) 0.1088(3) 0.2379(2) 0.0516(10) Uani 1 1 d . . .
F46 F 0.5582(3) 0.2394(2) 0.3842(2) 0.0386(8) Uani 1 1 d . . .
F47 F 0.6039(4) 0.2619(3) 0.2505(3) 0.0505(9) Uani 1 1 d . . .
B48 B 0.9133(7) 0.2445(5) -0.2532(5) 0.0357(15) Uani 1 1 d . . .
F49 F 0.9988(4) 0.1872(3) -0.2988(3) 0.0492(9) Uani 1 1 d . . .
F50 F 0.9419(4) 0.2607(3) -0.1560(2) 0.0454(8) Uani 1 1 d . . .
F51 F 0.7752(3) 0.1898(2) -0.2939(2) 0.0405(8) Uani 1 1 d . . .
F52 F 0.9403(4) 0.3391(3) -0.2631(3) 0.0522(10) Uani 1 1 d . . .
N53 N 0.6433(9) 0.5664(5) 0.0971(6) 0.094(3) Uani 1 1 d . . .
C54 C 0.7294(9) 0.5445(5) 0.0591(7) 0.077(3) Uani 1 1 d . . .
C55 C 0.8391(10) 0.5146(7) 0.0144(9) 0.134(6) Uani 1 1 d . . .
H55A H 0.8629 0.4589 0.0308 0.201 Uiso 1 1 calc R . .
H55B H 0.9200 0.5748 0.0372 0.201 Uiso 1 1 calc R . .
H55C H 0.8091 0.4896 -0.0552 0.201 Uiso 1 1 calc R . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.096(4) . ?
Ag1 N40 2.106(4) . ?
N1 C2 1.333(6) . ?
N1 C5 1.392(6) . ?
Ag2 N19 2.096(4) . ?
Ag2 N22 2.098(4) . ?
C2 N3 1.332(6) . ?
C2 H2 0.9500 . ?
N3 C4 1.380(6) . ?
N3 C6 1.483(6) . ?
C4 C5 1.348(7) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.535(7) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C12 1.394(8) . ?
C7 C8 1.403(7) . ?
C8 C9 1.418(7) . ?
C8 C13 1.520(7) . ?
C9 C10 1.386(7) . ?
C9 C16 1.522(7) . ?
C10 C11 1.393(7) . ?
C10 C14 1.528(6) . ?
C11 C12 1.397(7) . ?
C11 H11 0.9500 . ?
C12 C15 1.520(7) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 N17 1.469(6) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
N17 C18 1.347(6) . ?
N17 C21 1.390(6) . ?
C18 N19 1.328(6) . ?
C18 H18 0.9500 . ?
N19 C20 1.389(6) . ?
C20 C21 1.344(7) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
N22 C23 1.329(6) . ?
N22 C26 1.375(6) . ?
C23 N24 1.339(6) . ?
C23 H23 0.9500 . ?
N24 C25 1.381(6) . ?
N24 C27 1.488(6) . ?
C25 C26 1.358(7) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.523(7) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C33 1.393(8) . ?
C28 C29 1.417(7) . ?
C29 C30 1.404(7) . ?
C29 C34 1.522(7) . ?
C30 C31 1.424(8) . ?
C30 C37 1.502(7) . ?
C31 C32 1.384(8) . ?
C31 C35 1.508(7) . ?
C32 C33 1.388(8) . ?
C32 H32 0.9500 . ?
C33 C36 1.512(8) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 N38 1.487(6) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
N38 C39 1.354(6) . ?
N38 C42 1.388(6) . ?
C39 N40 1.320(7) . ?
C39 H39 0.9500 . ?
N40 C41 1.394(6) . ?
C41 C42 1.357(8) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
B43 F46 1.352(7) . ?
B43 F45 1.391(7) . ?
B43 F44 1.400(7) . ?
B43 F47 1.419(6) . ?
B48 F52 1.390(7) . ?
B48 F49 1.392(7) . ?
B48 F51 1.396(8) . ?
B48 F50 1.407(7) . ?
N53 C54 1.143(9) . ?
C54 C55 1.437(10) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?

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
C2 N1 Ag1 130.3(3) . . ?
C5 N1 Ag1 124.4(3) . . ?
N19 Ag2 N22 173.97(16) . . ?
N1 C2 N3 111.0(4) . . ?
N1 C2 H2 124.5 . . ?
N3 C2 H2 124.5 . . ?
C2 N3 C4 108.0(4) . . ?
C2 N3 C6 128.4(4) . . ?
C4 N3 C6 123.6(4) . . ?
C5 C4 N3 106.2(5) . . ?
C5 C4 H4 126.9 . . ?
N3 C4 H4 126.9 . . ?
C4 C5 N1 109.4(4) . . ?
C4 C5 H5 125.3 . . ?
N1 C5 H5 125.3 . . ?
N3 C6 C7 113.0(4) . . ?
N3 C6 H6A 109.0 . . ?
C7 C6 H6A 109.0 . . ?
N3 C6 H6B 109.0 . . ?
C7 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
C12 C7 C8 120.9(5) . . ?
C12 C7 C6 118.2(4) . . ?
C8 C7 C6 120.9(5) . . ?
C7 C8 C9 119.4(5) . . ?
C7 C8 C13 120.3(4) . . ?
C9 C8 C13 120.3(5) . . ?
C10 C9 C8 119.5(5) . . ?
C10 C9 C16 119.9(4) . . ?
C8 C9 C16 120.6(5) . . ?
C9 C10 C11 120.2(4) . . ?
C9 C10 C14 122.5(5) . . ?
C11 C10 C14 117.2(5) . . ?
C10 C11 C12 121.2(5) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C7 C12 C11 118.6(5) . . ?
C7 C12 C15 122.0(5) . . ?
C11 C12 C15 119.3(5) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N17 C16 C9 113.4(4) . . ?
N17 C16 H16A 108.9 . . ?
C9 C16 H16A 108.9 . . ?
N17 C16 H16B 108.9 . . ?
C9 C16 H16B 108.9 . . ?
H16A C16 H16B 107.7 . . ?
C18 N17 C21 106.0(4) . . ?
C18 N17 C16 126.6(4) . . ?
C21 N17 C16 127.4(4) . . ?
N19 C18 N17 111.9(4) . . ?
N19 C18 H18 124.0 . . ?
N17 C18 H18 124.0 . . ?
C18 N19 C20 105.4(4) . . ?
C18 N19 Ag2 129.7(3) . . ?
C20 N19 Ag2 124.8(3) . . ?
C21 C20 N19 109.3(4) . . ?
C21 C20 H20 125.3 . . ?
N19 C20 H20 125.3 . . ?
C20 C21 N17 107.3(4) . . ?
C20 C21 H21 126.4 . . ?
N17 C21 H21 126.4 . . ?
C23 N22 C26 105.9(4) . . ?
C23 N22 Ag2 129.1(3) . . ?
C26 N22 Ag2 125.0(3) . . ?
N22 C23 N24 110.6(4) . . ?
N22 C23 H23 124.7 . . ?
N24 C23 H23 124.7 . . ?
C23 N24 C25 108.2(4) . . ?
C23 N24 C27 129.1(4) . . ?
C25 N24 C27 122.5(4) . . ?
C26 C25 N24 105.3(5) . . ?
C26 C25 H25 127.3 . . ?
N24 C25 H25 127.3 . . ?
C25 C26 N22 110.0(4) . . ?
C25 C26 H26 125.0 . . ?
N22 C26 H26 125.0 . . ?
N24 C27 C28 114.2(4) . . ?
N24 C27 H27A 108.7 . . ?
C28 C27 H27A 108.7 . . ?
N24 C27 H27B 108.7 . . ?
C28 C27 H27B 108.7 . . ?
H27A C27 H27B 107.6 . . ?
C33 C28 C29 120.2(5) . . ?
C33 C28 C27 119.7(5) . . ?
C29 C28 C27 120.0(5) . . ?
C30 C29 C28 119.5(5) . . ?
C30 C29 C34 120.5(5) . . ?
C28 C29 C34 120.0(5) . . ?
C29 C30 C31 119.9(5) . . ?
C29 C30 C37 120.4(5) . . ?
C31 C30 C37 119.7(5) . . ?
C32 C31 C30 118.6(5) . . ?
C32 C31 C35 120.1(5) . . ?
C30 C31 C35 121.3(5) . . ?
C31 C32 C33 122.4(5) . . ?
C31 C32 H32 118.8 . . ?
C33 C32 H32 118.8 . . ?
C32 C33 C28 119.3(5) . . ?
C32 C33 C36 118.2(5) . . ?
C28 C33 C36 122.6(5) . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C31 C35 H35A 109.5 . . ?
C31 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C31 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N38 C37 C30 112.4(4) . . ?
N38 C37 H37A 109.1 . . ?
C30 C37 H37A 109.1 . . ?
N38 C37 H37B 109.1 . . ?
C30 C37 H37B 109.1 . . ?
H37A C37 H37B 107.9 . . ?
C39 N38 C42 107.0(4) . . ?
C39 N38 C37 128.5(4) . . ?
C42 N38 C37 124.6(4) . . ?
N40 C39 N38 111.3(4) . . ?
N40 C39 H39 124.3 . . ?
N38 C39 H39 124.3 . . ?
C39 N40 C41 106.1(4) . . ?
C39 N40 Ag1 129.9(3) . . ?
C41 N40 Ag1 124.0(4) . . ?
C42 C41 N40 109.1(5) . . ?
C42 C41 H41 125.5 . . ?
N40 C41 H41 125.5 . . ?
C41 C42 N38 106.5(5) . . ?
C41 C42 H42 126.7 . . ?
N38 C42 H42 126.7 . . ?
F46 B43 F45 112.0(4) . . ?
F46 B43 F44 111.1(5) . . ?
F45 B43 F44 107.8(5) . . ?
F46 B43 F47 110.3(5) . . ?
F45 B43 F47 108.9(5) . . ?
F44 B43 F47 106.6(4) . . ?
F52 B48 F49 108.8(5) . . ?
F52 B48 F51 109.8(5) . . ?
F49 B48 F51 110.2(5) . . ?
F52 B48 F50 110.5(5) . . ?
F49 B48 F50 108.1(5) . . ?
F51 B48 F50 109.4(5) . . ?
N53 C54 C55 177.2(12) . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?

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
C5 N1 C2 N3 1.1(6) . . . . ?
Ag1 N1 C2 N3 -178.7(4) . . . . ?
N1 C2 N3 C4 -1.0(7) . . . . ?
N1 C2 N3 C6 179.5(5) . . . . ?
C2 N3 C4 C5 0.4(7) . . . . ?
C6 N3 C4 C5 179.9(5) . . . . ?
N3 C4 C5 N1 0.3(7) . . . . ?
C2 N1 C5 C4 -0.8(7) . . . . ?
Ag1 N1 C5 C4 179.0(4) . . . . ?
C2 N3 C6 C7 -13.0(8) . . . . ?
C4 N3 C6 C7 167.6(5) . . . . ?
N3 C6 C7 C12 -90.3(6) . . . . ?
N3 C6 C7 C8 92.5(6) . . . . ?
C12 C7 C8 C9 -4.0(7) . . . . ?
C6 C7 C8 C9 173.1(4) . . . . ?
C12 C7 C8 C13 177.3(5) . . . . ?
C6 C7 C8 C13 -5.6(7) . . . . ?
C7 C8 C9 C10 0.7(7) . . . . ?
C13 C8 C9 C10 179.4(5) . . . . ?
C7 C8 C9 C16 -178.2(4) . . . . ?
C13 C8 C9 C16 0.5(7) . . . . ?
C8 C9 C10 C11 2.2(7) . . . . ?
C16 C9 C10 C11 -178.9(5) . . . . ?
C8 C9 C10 C14 -176.2(5) . . . . ?
C16 C9 C10 C14 2.6(7) . . . . ?
C9 C10 C11 C12 -1.9(8) . . . . ?
C14 C10 C11 C12 176.6(5) . . . . ?
C8 C7 C12 C11 4.3(7) . . . . ?
C6 C7 C12 C11 -172.9(4) . . . . ?
C8 C7 C12 C15 -178.2(5) . . . . ?
C6 C7 C12 C15 4.6(7) . . . . ?
C10 C11 C12 C7 -1.3(7) . . . . ?
C10 C11 C12 C15 -178.9(5) . . . . ?
C10 C9 C16 N17 73.3(6) . . . . ?
C8 C9 C16 N17 -107.9(5) . . . . ?
C9 C16 N17 C18 68.8(7) . . . . ?
C9 C16 N17 C21 -111.1(5) . . . . ?
C21 N17 C18 N19 -0.3(6) . . . . ?
C16 N17 C18 N19 179.8(5) . . . . ?
N17 C18 N19 C20 0.8(6) . . . . ?
N17 C18 N19 Ag2 177.3(3) . . . . ?
C18 N19 C20 C21 -0.9(6) . . . . ?
Ag2 N19 C20 C21 -177.7(4) . . . . ?
N19 C20 C21 N17 0.7(6) . . . . ?
C18 N17 C21 C20 -0.3(6) . . . . ?
C16 N17 C21 C20 179.6(5) . . . . ?
C26 N22 C23 N24 -0.7(6) . . . . ?
Ag2 N22 C23 N24 -179.7(4) . . . . ?
N22 C23 N24 C25 0.8(6) . . . . ?
N22 C23 N24 C27 176.7(5) . . . . ?
C23 N24 C25 C26 -0.6(6) . . . . ?
C27 N24 C25 C26 -176.9(5) . . . . ?
N24 C25 C26 N22 0.2(6) . . . . ?
C23 N22 C26 C25 0.3(6) . . . . ?
Ag2 N22 C26 C25 179.4(4) . . . . ?
C23 N24 C27 C28 15.9(8) . . . . ?
C25 N24 C27 C28 -168.7(5) . . . . ?
N24 C27 C28 C33 87.8(6) . . . . ?
N24 C27 C28 C29 -95.5(6) . . . . ?
C33 C28 C29 C30 4.1(8) . . . . ?
C27 C28 C29 C30 -172.5(4) . . . . ?
C33 C28 C29 C34 -176.3(5) . . . . ?
C27 C28 C29 C34 7.0(7) . . . . ?
C28 C29 C30 C31 -4.0(7) . . . . ?
C34 C29 C30 C31 176.4(5) . . . . ?
C28 C29 C30 C37 173.9(4) . . . . ?
C34 C29 C30 C37 -5.7(7) . . . . ?
C29 C30 C31 C32 1.1(8) . . . . ?
C37 C30 C31 C32 -176.8(5) . . . . ?
C29 C30 C31 C35 -178.2(5) . . . . ?
C37 C30 C31 C35 3.9(8) . . . . ?
C30 C31 C32 C33 1.9(8) . . . . ?
C35 C31 C32 C33 -178.8(5) . . . . ?
C31 C32 C33 C28 -1.8(8) . . . . ?
C31 C32 C33 C36 178.5(5) . . . . ?
C29 C28 C33 C32 -1.3(8) . . . . ?
C27 C28 C33 C32 175.4(5) . . . . ?
C29 C28 C33 C36 178.5(5) . . . . ?
C27 C28 C33 C36 -4.9(8) . . . . ?
C29 C30 C37 N38 99.2(6) . . . . ?
C31 C30 C37 N38 -83.0(6) . . . . ?
C30 C37 N38 C39 -6.6(7) . . . . ?
C30 C37 N38 C42 172.1(5) . . . . ?
C42 N38 C39 N40 -0.4(6) . . . . ?
C37 N38 C39 N40 178.5(5) . . . . ?
N38 C39 N40 C41 0.5(6) . . . . ?
N38 C39 N40 Ag1 179.2(3) . . . . ?
C39 N40 C41 C42 -0.4(6) . . . . ?
Ag1 N40 C41 C42 -179.2(4) . . . . ?
N40 C41 C42 N38 0.1(6) . . . . ?
C39 N38 C42 C41 0.2(6) . . . . ?
C37 N38 C42 C41 -178.8(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.824
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.961
_refine_diff_density_max         1.493
_refine_diff_density_min         -2.096
_refine_diff_density_rms         0.141
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3b
_database_code_depnum_ccdc_archive 'CCDC 1411591'
_audit_update_record             
;
2015-07-08 deposited with the CCDC.
2015-09-07 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            work
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H40 Ag2 N8, 2(B F4), C3 H6 O'
_chemical_formula_sum            'C37 H46 Ag2 B2 F8 N8 O'
_chemical_formula_weight         1008.18

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
O O 0.0106 0.0060 '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
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   10.0370(5)
_cell_length_b                   14.3332(6)
_cell_length_c                   15.4185(8)
_cell_angle_alpha                111.125(4)
_cell_angle_beta                 97.059(4)
_cell_angle_gamma                100.307(4)
_cell_volume                     1992.80(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1016
_exptl_absorpt_coefficient_mu    1.063
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7921
_exptl_absorpt_correction_T_max  0.8655
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,Version 1.171.35.21 
(release 20-01-2012 CrysAlis171 .NET)(compiled Jan 23 2012,18:06:46).
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23022
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0425
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.62
_diffrn_reflns_theta_max         29.27
_reflns_number_total             9473
_reflns_number_gt                7202
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  ?


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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0603P)²+5.2636P] 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         9473
_refine_ls_number_parameters     531
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0745
_refine_ls_R_factor_gt           0.0504
_refine_ls_wR_factor_ref         0.1386
_refine_ls_wR_factor_gt          0.1197
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.000
_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 0.50224(4) 0.37181(3) 0.15187(2) 0.03087(10) Uani 1 1 d . . .
N1 N 0.5920(4) 0.2798(3) 0.0476(3) 0.0305(8) Uani 1 1 d . . .
Ag2 Ag 0.46053(3) 0.02048(3) 0.37688(2) 0.02976(10) Uani 1 1 d . . .
C2 C 0.6705(4) 0.2172(3) 0.0529(3) 0.0273(9) Uani 1 1 d . . .
H2 H 0.6963 0.2042 0.1080 0.033 Uiso 1 1 calc R . .
N3 N 0.7099(4) 0.1737(3) -0.0301(3) 0.0279(8) Uani 1 1 d . . .
C4 C 0.6517(5) 0.2108(3) -0.0928(3) 0.0315(9) Uani 1 1 d . . .
H4 H 0.6607 0.1941 -0.1569 0.038 Uiso 1 1 calc R . .
C5 C 0.5787(5) 0.2763(3) -0.0441(3) 0.0289(9) Uani 1 1 d . . .
H5 H 0.5269 0.3136 -0.0690 0.035 Uiso 1 1 calc R . .
C6 C 0.8002(5) 0.1009(3) -0.0530(3) 0.0289(9) Uani 1 1 d . . .
H6A H 0.8756 0.1282 -0.0796 0.035 Uiso 1 1 calc R . .
H6B H 0.7456 0.0342 -0.1024 0.035 Uiso 1 1 calc R . .
C7 C 0.8626(4) 0.0831(3) 0.0324(3) 0.0285(9) Uani 1 1 d . . .
C8 C 0.8041(5) -0.0042(3) 0.0476(3) 0.0295(9) Uani 1 1 d . . .
C9 C 0.8702(5) -0.0239(3) 0.1227(3) 0.0286(9) Uani 1 1 d . . .
C10 C 0.9900(5) 0.0465(4) 0.1848(3) 0.0316(10) Uani 1 1 d . . .
C11 C 1.0421(5) 0.1353(4) 0.1704(3) 0.0353(10) Uani 1 1 d . . .
H11 H 1.1212 0.1843 0.2138 0.042 Uiso 1 1 calc R . .
C12 C 0.9819(5) 0.1540(4) 0.0946(3) 0.0321(10) Uani 1 1 d . . .
C13 C 0.6694(5) -0.0774(4) -0.0153(3) 0.0341(10) Uani 1 1 d . . .
H13A H 0.6143 -0.0395 -0.0406 0.051 Uiso 1 1 calc R . .
H13B H 0.6174 -0.1073 0.0221 0.051 Uiso 1 1 calc R . .
H13C H 0.6895 -0.1326 -0.0679 0.051 Uiso 1 1 calc R . .
C14 C 1.0630(5) 0.0295(4) 0.2676(3) 0.0410(12) Uani 1 1 d . . .
H14A H 0.9947 0.0070 0.3007 0.062 Uiso 1 1 calc R . .
H14B H 1.1274 0.0941 0.3117 0.062 Uiso 1 1 calc R . .
H14C H 1.1144 -0.0234 0.2443 0.062 Uiso 1 1 calc R . .
C15 C 1.0455(5) 0.2511(4) 0.0817(4) 0.0399(11) Uani 1 1 d . . .
H15A H 1.1300 0.2887 0.1303 0.060 Uiso 1 1 calc R . .
H15B H 0.9794 0.2948 0.0880 0.060 Uiso 1 1 calc R . .
H15C H 1.0680 0.2327 0.0185 0.060 Uiso 1 1 calc R . .
C16 C 0.8185(5) -0.1245(4) 0.1337(3) 0.0328(10) Uani 1 1 d . . .
H16A H 0.7670 -0.1771 0.0712 0.039 Uiso 1 1 calc R . .
H16B H 0.8992 -0.1484 0.1535 0.039 Uiso 1 1 calc R . .
N17 N 0.7277(4) -0.1164(3) 0.2036(3) 0.0297(8) Uani 1 1 d . . .
C18 C 0.6630(5) -0.0414(3) 0.2413(3) 0.0302(9) Uani 1 1 d . . .
H18 H 0.6718 0.0196 0.2291 0.036 Uiso 1 1 calc R . .
N19 N 0.5856(4) -0.0641(3) 0.2975(3) 0.0292(8) Uani 1 1 d . . .
C20 C 0.6023(5) -0.1580(3) 0.2951(3) 0.0317(9) Uani 1 1 d . . .
H20 H 0.5592 -0.1940 0.3292 0.038 Uiso 1 1 calc R . .
C21 C 0.6890(5) -0.1916(3) 0.2372(3) 0.0307(9) Uani 1 1 d . . .
H21 H 0.7174 -0.2543 0.2226 0.037 Uiso 1 1 calc R . .
N22 N 0.3258(4) 0.0909(3) 0.4574(3) 0.0290(8) Uani 1 1 d . . .
C23 C 0.3140(4) 0.1870(3) 0.4846(3) 0.0264(8) Uani 1 1 d . . .
H23 H 0.3728 0.2397 0.4738 0.032 Uiso 1 1 calc R . .
N24 N 0.2080(4) 0.2007(3) 0.5298(3) 0.0274(7) Uani 1 1 d . . .
C25 C 0.1480(5) 0.1064(3) 0.5299(3) 0.0295(9) Uani 1 1 d . . .
H25 H 0.0705 0.0914 0.5566 0.035 Uiso 1 1 calc R . .
C26 C 0.2202(5) 0.0399(3) 0.4850(3) 0.0298(9) Uani 1 1 d . . .
H26 H 0.2013 -0.0312 0.4740 0.036 Uiso 1 1 calc R . .
C27 C 0.1667(4) 0.2990(3) 0.5725(3) 0.0268(9) Uani 1 1 d . . .
H27A H 0.2477 0.3520 0.6176 0.032 Uiso 1 1 calc R . .
H27B H 0.0945 0.2892 0.6089 0.032 Uiso 1 1 calc R . .
C28 C 0.1119(5) 0.3373(3) 0.4991(3) 0.0280(9) Uani 1 1 d . . .
C29 C 0.1898(4) 0.4252(3) 0.4910(3) 0.0261(8) Uani 1 1 d . . .
C30 C 0.1347(4) 0.4630(3) 0.4265(3) 0.0278(9) Uani 1 1 d . . .
C31 C 0.0062(5) 0.4107(3) 0.3651(3) 0.0293(9) Uani 1 1 d . . .
C32 C -0.0683(5) 0.3240(3) 0.3735(3) 0.0286(9) Uani 1 1 d . . .
H32 H -0.1556 0.2883 0.3321 0.034 Uiso 1 1 calc R . .
C33 C -0.0196(5) 0.2878(3) 0.4405(3) 0.0287(9) Uani 1 1 d . . .
C34 C 0.3313(5) 0.4803(4) 0.5536(3) 0.0319(9) Uani 1 1 d . . .
H34A H 0.3837 0.5213 0.5245 0.048 Uiso 1 1 calc R . .
H34B H 0.3807 0.4295 0.5606 0.048 Uiso 1 1 calc R . .
H34C H 0.3213 0.5257 0.6162 0.048 Uiso 1 1 calc R . .
C35 C -0.0548(5) 0.4463(4) 0.2915(3) 0.0319(9) Uani 1 1 d . . .
H35A H -0.1394 0.3952 0.2515 0.048 Uiso 1 1 calc R . .
H35B H 0.0122 0.4540 0.2519 0.048 Uiso 1 1 calc R . .
H35C H -0.0769 0.5127 0.3233 0.048 Uiso 1 1 calc R . .
C36 C -0.1124(5) 0.1965(3) 0.4496(3) 0.0318(9) Uani 1 1 d . . .
H36A H -0.0763 0.1351 0.4238 0.048 Uiso 1 1 calc R . .
H36B H -0.2064 0.1836 0.4143 0.048 Uiso 1 1 calc R . .
H36C H -0.1142 0.2120 0.5168 0.048 Uiso 1 1 calc R . .
C37 C 0.2090(5) 0.5642(3) 0.4241(3) 0.0284(9) Uani 1 1 d . . .
H37A H 0.1394 0.5988 0.4067 0.034 Uiso 1 1 calc R . .
H37B H 0.2632 0.6098 0.4884 0.034 Uiso 1 1 calc R . .
N38 N 0.3026(4) 0.5501(3) 0.3560(3) 0.0269(7) Uani 1 1 d . . .
C39 C 0.3383(4) 0.4631(3) 0.3063(3) 0.0269(9) Uani 1 1 d . . .
H39 H 0.3076 0.3986 0.3107 0.032 Uiso 1 1 calc R . .
N40 N 0.4217(4) 0.4795(3) 0.2507(3) 0.0289(8) Uani 1 1 d . . .
C41 C 0.4411(5) 0.5827(3) 0.2659(3) 0.0332(10) Uani 1 1 d . . .
H41 H 0.4972 0.6171 0.2359 0.040 Uiso 1 1 calc R . .
C42 C 0.3673(5) 0.6267(3) 0.3303(3) 0.0313(9) Uani 1 1 d . . .
H42 H 0.3612 0.6965 0.3533 0.038 Uiso 1 1 calc R . .
B43 B 0.5061(5) 0.2144(4) 0.2901(4) 0.0345(12) Uani 1 1 d . . .
F44 F 0.6059(3) 0.2571(3) 0.2515(2) 0.0598(9) Uani 1 1 d . . .
F45 F 0.5521(3) 0.2384(2) 0.38383(19) 0.0418(7) Uani 1 1 d . . .
F46 F 0.4661(4) 0.1076(2) 0.2407(2) 0.0595(10) Uani 1 1 d . . .
F47 F 0.3887(3) 0.2518(2) 0.2755(3) 0.0558(9) Uani 1 1 d . . .
B48 B 0.1031(6) 0.7598(4) 0.2620(4) 0.0323(11) Uani 1 1 d . . .
F49 F 0.0144(3) 0.8161(2) 0.3073(2) 0.0462(7) Uani 1 1 d . . .
F50 F 0.0853(3) 0.6686(2) 0.2772(2) 0.0452(7) Uani 1 1 d . . .
F51 F 0.2399(3) 0.8158(2) 0.2985(2) 0.0421(7) Uani 1 1 d . . .
F52 F 0.0695(3) 0.7370(2) 0.1644(2) 0.0427(7) Uani 1 1 d . . .
O53 O 0.3321(5) 0.3982(4) -0.0248(4) 0.0830(16) Uani 1 1 d . . .
C54 C 0.2457(6) 0.4465(4) -0.0278(5) 0.0535(15) Uani 1 1 d . . .
C55 C 0.2038(7) 0.4714(5) -0.1110(5) 0.0586(16) Uani 1 1 d . . .
H55A H 0.2601 0.4466 -0.1581 0.088 Uiso 1 1 calc R . .
H55B H 0.2177 0.5462 -0.0905 0.088 Uiso 1 1 calc R . .
H55C H 0.1060 0.4380 -0.1393 0.088 Uiso 1 1 calc R . .
C56 C 0.1726(6) 0.4811(5) 0.0530(4) 0.0536(14) Uani 1 1 d . . .
H56A H 0.2129 0.4642 0.1050 0.080 Uiso 1 1 calc R . .
H56B H 0.0742 0.4459 0.0315 0.080 Uiso 1 1 calc R . .
H56C H 0.1829 0.5557 0.0754 0.080 Uiso 1 1 calc R . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.095(4) . ?
Ag1 N40 2.100(3) . ?
N1 C2 1.311(6) . ?
N1 C5 1.386(6) . ?
Ag2 N22 2.095(3) . ?
Ag2 N19 2.097(3) . ?
C2 N3 1.349(5) . ?
C2 H2 0.9500 . ?
N3 C4 1.379(6) . ?
N3 C6 1.478(5) . ?
C4 C5 1.362(6) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.513(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.396(6) . ?
C7 C12 1.403(6) . ?
C8 C9 1.405(6) . ?
C8 C13 1.518(6) . ?
C9 C10 1.402(6) . ?
C9 C16 1.518(6) . ?
C10 C11 1.392(7) . ?
C10 C14 1.511(7) . ?
C11 C12 1.384(7) . ?
C11 H11 0.9500 . ?
C12 C15 1.515(7) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 N17 1.482(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
N17 C18 1.344(5) . ?
N17 C21 1.372(6) . ?
C18 N19 1.319(6) . ?
C18 H18 0.9500 . ?
N19 C20 1.373(6) . ?
C20 C21 1.348(6) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
N22 C23 1.318(5) . ?
N22 C26 1.378(6) . ?
C23 N24 1.348(5) . ?
C23 H23 0.9500 . ?
N24 C25 1.378(6) . ?
N24 C27 1.482(5) . ?
C25 C26 1.345(6) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.512(6) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C33 1.404(6) . ?
C28 C29 1.415(6) . ?
C29 C30 1.396(6) . ?
C29 C34 1.511(6) . ?
C30 C31 1.401(6) . ?
C30 C37 1.523(6) . ?
C31 C32 1.389(6) . ?
C31 C35 1.511(6) . ?
C32 C33 1.389(6) . ?
C32 H32 0.9500 . ?
C33 C36 1.526(6) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 N38 1.478(5) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
N38 C39 1.344(5) . ?
N38 C42 1.380(6) . ?
C39 N40 1.320(6) . ?
C39 H39 0.9500 . ?
N40 C41 1.386(6) . ?
C41 C42 1.353(6) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
B43 F45 1.357(6) . ?
B43 F44 1.386(6) . ?
B43 F46 1.396(6) . ?
B43 F47 1.405(5) . ?
B48 F49 1.391(6) . ?
B48 F51 1.391(6) . ?
B48 F50 1.394(6) . ?
B48 F52 1.402(6) . ?
O53 C54 1.208(7) . ?
C54 C55 1.484(9) . ?
C54 C56 1.499(9) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?

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 N40 172.60(14) . . ?
C2 N1 C5 106.2(4) . . ?
C2 N1 Ag1 129.8(3) . . ?
C5 N1 Ag1 124.0(3) . . ?
N22 Ag2 N19 174.07(14) . . ?
N1 C2 N3 111.3(4) . . ?
N1 C2 H2 124.3 . . ?
N3 C2 H2 124.3 . . ?
C2 N3 C4 107.3(4) . . ?
C2 N3 C6 128.3(4) . . ?
C4 N3 C6 124.4(4) . . ?
C5 C4 N3 106.0(4) . . ?
C5 C4 H4 127.0 . . ?
N3 C4 H4 127.0 . . ?
C4 C5 N1 109.1(4) . . ?
C4 C5 H5 125.4 . . ?
N1 C5 H5 125.4 . . ?
N3 C6 C7 112.9(3) . . ?
N3 C6 H6A 109.0 . . ?
C7 C6 H6A 109.0 . . ?
N3 C6 H6B 109.0 . . ?
C7 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
C8 C7 C12 120.5(4) . . ?
C8 C7 C6 120.4(4) . . ?
C12 C7 C6 119.1(4) . . ?
C7 C8 C9 119.5(4) . . ?
C7 C8 C13 120.8(4) . . ?
C9 C8 C13 119.7(4) . . ?
C10 C9 C8 120.2(4) . . ?
C10 C9 C16 119.3(4) . . ?
C8 C9 C16 120.5(4) . . ?
C11 C10 C9 119.0(4) . . ?
C11 C10 C14 119.0(4) . . ?
C9 C10 C14 122.0(4) . . ?
C12 C11 C10 121.8(5) . . ?
C12 C11 H11 119.1 . . ?
C10 C11 H11 119.1 . . ?
C11 C12 C7 119.0(4) . . ?
C11 C12 C15 119.2(4) . . ?
C7 C12 C15 121.8(4) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N17 C16 C9 113.7(3) . . ?
N17 C16 H16A 108.8 . . ?
C9 C16 H16A 108.8 . . ?
N17 C16 H16B 108.8 . . ?
C9 C16 H16B 108.8 . . ?
H16A C16 H16B 107.7 . . ?
C18 N17 C21 107.7(4) . . ?
C18 N17 C16 128.6(4) . . ?
C21 N17 C16 123.6(4) . . ?
N19 C18 N17 110.7(4) . . ?
N19 C18 H18 124.6 . . ?
N17 C18 H18 124.6 . . ?
C18 N19 C20 105.8(4) . . ?
C18 N19 Ag2 129.3(3) . . ?
C20 N19 Ag2 124.9(3) . . ?
C21 C20 N19 110.1(4) . . ?
C21 C20 H20 125.0 . . ?
N19 C20 H20 125.0 . . ?
C20 C21 N17 105.7(4) . . ?
C20 C21 H21 127.1 . . ?
N17 C21 H21 127.1 . . ?
C23 N22 C26 105.9(3) . . ?
C23 N22 Ag2 129.2(3) . . ?
C26 N22 Ag2 124.7(3) . . ?
N22 C23 N24 111.3(4) . . ?
N22 C23 H23 124.3 . . ?
N24 C23 H23 124.3 . . ?
C23 N24 C25 106.6(4) . . ?
C23 N24 C27 126.3(4) . . ?
C25 N24 C27 127.1(4) . . ?
C26 C25 N24 106.8(4) . . ?
C26 C25 H25 126.6 . . ?
N24 C25 H25 126.6 . . ?
C25 C26 N22 109.4(4) . . ?
C25 C26 H26 125.3 . . ?
N22 C26 H26 125.3 . . ?
N24 C27 C28 112.8(3) . . ?
N24 C27 H27A 109.0 . . ?
C28 C27 H27A 109.0 . . ?
N24 C27 H27B 109.0 . . ?
C28 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
C33 C28 C29 119.3(4) . . ?
C33 C28 C27 120.0(4) . . ?
C29 C28 C27 120.6(4) . . ?
C30 C29 C28 120.0(4) . . ?
C30 C29 C34 119.7(4) . . ?
C28 C29 C34 120.3(4) . . ?
C29 C30 C31 120.5(4) . . ?
C29 C30 C37 121.0(4) . . ?
C31 C30 C37 118.4(4) . . ?
C32 C31 C30 118.6(4) . . ?
C32 C31 C35 119.0(4) . . ?
C30 C31 C35 122.4(4) . . ?
C33 C32 C31 122.1(4) . . ?
C33 C32 H32 118.9 . . ?
C31 C32 H32 118.9 . . ?
C32 C33 C28 119.3(4) . . ?
C32 C33 C36 118.8(4) . . ?
C28 C33 C36 121.9(4) . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C31 C35 H35A 109.5 . . ?
C31 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C31 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N38 C37 C30 112.9(3) . . ?
N38 C37 H37A 109.0 . . ?
C30 C37 H37A 109.0 . . ?
N38 C37 H37B 109.0 . . ?
C30 C37 H37B 109.0 . . ?
H37A C37 H37B 107.8 . . ?
C39 N38 C42 107.4(4) . . ?
C39 N38 C37 128.0(4) . . ?
C42 N38 C37 124.6(3) . . ?
N40 C39 N38 110.9(4) . . ?
N40 C39 H39 124.6 . . ?
N38 C39 H39 124.6 . . ?
C39 N40 C41 106.3(4) . . ?
C39 N40 Ag1 128.2(3) . . ?
C41 N40 Ag1 125.4(3) . . ?
C42 C41 N40 109.0(4) . . ?
C42 C41 H41 125.5 . . ?
N40 C41 H41 125.5 . . ?
C41 C42 N38 106.5(4) . . ?
C41 C42 H42 126.8 . . ?
N38 C42 H42 126.8 . . ?
F45 B43 F44 111.4(5) . . ?
F45 B43 F46 110.3(4) . . ?
F44 B43 F46 110.1(4) . . ?
F45 B43 F47 111.1(4) . . ?
F44 B43 F47 107.3(4) . . ?
F46 B43 F47 106.6(5) . . ?
F49 B48 F51 110.4(4) . . ?
F49 B48 F50 108.4(4) . . ?
F51 B48 F50 109.5(4) . . ?
F49 B48 F52 109.0(4) . . ?
F51 B48 F52 109.9(4) . . ?
F50 B48 F52 109.7(4) . . ?
O53 C54 C55 122.6(7) . . ?
O53 C54 C56 120.3(6) . . ?
C55 C54 C56 117.0(5) . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?

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
C5 N1 C2 N3 0.4(5) . . . . ?
Ag1 N1 C2 N3 -178.6(3) . . . . ?
N1 C2 N3 C4 -0.3(5) . . . . ?
N1 C2 N3 C6 178.7(4) . . . . ?
C2 N3 C4 C5 0.1(5) . . . . ?
C6 N3 C4 C5 -179.0(4) . . . . ?
N3 C4 C5 N1 0.2(5) . . . . ?
C2 N1 C5 C4 -0.4(5) . . . . ?
Ag1 N1 C5 C4 178.7(3) . . . . ?
C2 N3 C6 C7 -5.6(6) . . . . ?
C4 N3 C6 C7 173.3(4) . . . . ?
N3 C6 C7 C8 98.9(5) . . . . ?
N3 C6 C7 C12 -82.7(5) . . . . ?
C12 C7 C8 C9 -3.7(6) . . . . ?
C6 C7 C8 C9 174.7(4) . . . . ?
C12 C7 C8 C13 175.7(4) . . . . ?
C6 C7 C8 C13 -6.0(6) . . . . ?
C7 C8 C9 C10 3.3(6) . . . . ?
C13 C8 C9 C10 -176.0(4) . . . . ?
C7 C8 C9 C16 -172.7(4) . . . . ?
C13 C8 C9 C16 8.0(6) . . . . ?
C8 C9 C10 C11 -0.3(6) . . . . ?
C16 C9 C10 C11 175.7(4) . . . . ?
C8 C9 C10 C14 178.9(4) . . . . ?
C16 C9 C10 C14 -5.1(6) . . . . ?
C9 C10 C11 C12 -2.4(6) . . . . ?
C14 C10 C11 C12 178.4(4) . . . . ?
C10 C11 C12 C7 2.1(6) . . . . ?
C10 C11 C12 C15 -178.8(4) . . . . ?
C8 C7 C12 C11 1.0(6) . . . . ?
C6 C7 C12 C11 -177.4(4) . . . . ?
C8 C7 C12 C15 -178.1(4) . . . . ?
C6 C7 C12 C15 3.5(6) . . . . ?
C10 C9 C16 N17 86.0(5) . . . . ?
C8 C9 C16 N17 -98.0(5) . . . . ?
C9 C16 N17 C18 15.8(7) . . . . ?
C9 C16 N17 C21 -168.2(4) . . . . ?
C21 N17 C18 N19 0.3(5) . . . . ?
C16 N17 C18 N19 176.8(4) . . . . ?
N17 C18 N19 C20 0.0(5) . . . . ?
N17 C18 N19 Ag2 179.9(3) . . . . ?
C18 N19 C20 C21 -0.3(5) . . . . ?
Ag2 N19 C20 C21 179.8(3) . . . . ?
N19 C20 C21 N17 0.5(5) . . . . ?
C18 N17 C21 C20 -0.5(5) . . . . ?
C16 N17 C21 C20 -177.2(4) . . . . ?
C26 N22 C23 N24 1.1(5) . . . . ?
Ag2 N22 C23 N24 175.5(3) . . . . ?
N22 C23 N24 C25 -0.8(5) . . . . ?
N22 C23 N24 C27 178.1(4) . . . . ?
C23 N24 C25 C26 0.1(5) . . . . ?
C27 N24 C25 C26 -178.8(4) . . . . ?
N24 C25 C26 N22 0.6(5) . . . . ?
C23 N22 C26 C25 -1.1(5) . . . . ?
Ag2 N22 C26 C25 -175.7(3) . . . . ?
C23 N24 C27 C28 66.8(6) . . . . ?
C25 N24 C27 C28 -114.5(5) . . . . ?
N24 C27 C28 C33 73.1(5) . . . . ?
N24 C27 C28 C29 -109.1(4) . . . . ?
C33 C28 C29 C30 1.3(6) . . . . ?
C27 C28 C29 C30 -176.5(4) . . . . ?
C33 C28 C29 C34 179.7(4) . . . . ?
C27 C28 C29 C34 1.9(6) . . . . ?
C28 C29 C30 C31 -4.2(6) . . . . ?
C34 C29 C30 C31 177.4(4) . . . . ?
C28 C29 C30 C37 173.0(4) . . . . ?
C34 C29 C30 C37 -5.5(6) . . . . ?
C29 C30 C31 C32 3.6(6) . . . . ?
C37 C30 C31 C32 -173.6(4) . . . . ?
C29 C30 C31 C35 -177.4(4) . . . . ?
C37 C30 C31 C35 5.3(6) . . . . ?
C30 C31 C32 C33 0.0(6) . . . . ?
C35 C31 C32 C33 -179.1(4) . . . . ?
C31 C32 C33 C28 -2.8(6) . . . . ?
C31 C32 C33 C36 175.8(4) . . . . ?
C29 C28 C33 C32 2.2(6) . . . . ?
C27 C28 C33 C32 180.0(4) . . . . ?
C29 C28 C33 C36 -176.4(4) . . . . ?
C27 C28 C33 C36 1.4(6) . . . . ?
C29 C30 C37 N38 92.3(5) . . . . ?
C31 C30 C37 N38 -90.5(5) . . . . ?
C30 C37 N38 C39 -7.5(6) . . . . ?
C30 C37 N38 C42 170.6(4) . . . . ?
C42 N38 C39 N40 0.1(5) . . . . ?
C37 N38 C39 N40 178.5(4) . . . . ?
N38 C39 N40 C41 0.3(5) . . . . ?
N38 C39 N40 Ag1 -176.4(3) . . . . ?
C39 N40 C41 C42 -0.5(5) . . . . ?
Ag1 N40 C41 C42 176.2(3) . . . . ?
N40 C41 C42 N38 0.6(5) . . . . ?
C39 N38 C42 C41 -0.4(5) . . . . ?
C37 N38 C42 C41 -178.9(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.873
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.778
_refine_diff_density_min         -1.450
_refine_diff_density_rms         0.124
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4b
_database_code_depnum_ccdc_archive 'CCDC 1411592'
_audit_update_record             
;
2015-07-08 deposited with the CCDC.
2015-09-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            work
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H40 Ag2 N8, 2(B F4), C2 H6 O'
_chemical_formula_sum            'C36 H46 Ag2 B2 F8 N8 O'
_chemical_formula_weight         996.17

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   9.8865(5)
_cell_length_b                   14.2717(8)
_cell_length_c                   15.4908(8)
_cell_angle_alpha                109.722(5)
_cell_angle_beta                 96.569(4)
_cell_angle_gamma                101.580(4)
_cell_volume                     1975.91(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1004
_exptl_absorpt_coefficient_mu    1.071
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7908
_exptl_absorpt_correction_T_max  0.8389
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,Version 1.171.35.21 
(release 20-01-2012 CrysAlis171 .NET)(compiled Jan 23 2012,18:06:46).
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            25028
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0481
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.48
_diffrn_reflns_theta_max         29.17
_reflns_number_total             9305
_reflns_number_gt                7264
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  ?


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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0898P)²+13.0466P] 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         9305
_refine_ls_number_parameters     544
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0662
_refine_ls_wR_factor_ref         0.1919
_refine_ls_wR_factor_gt          0.1768
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_restrained_S_all      1.092
_refine_ls_shift/su_max          0.020
_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 0.51169(5) 0.88469(4) 0.15303(3) 0.02489(14) Uani 1 1 d . . .
N1 N 0.5869(6) 0.7897(4) 0.0439(4) 0.0243(11) Uani 1 1 d . . .
H54 H 0.863(3) 1.099(6) 0.2145(19) 0.029 Uiso 1 1 d D . .
Ag2 Ag 0.46681(5) 0.52773(4) 0.37477(3) 0.02373(14) Uani 1 1 d . . .
C2 C 0.6662(7) 0.7273(5) 0.0495(4) 0.0227(12) Uani 1 1 d . . .
H2 H 0.6963 0.7162 0.1049 0.027 Uiso 1 1 calc R . .
N3 N 0.6993(6) 0.6811(4) -0.0341(4) 0.0230(11) Uani 1 1 d . . .
C4 C 0.6355(7) 0.7153(5) -0.0978(4) 0.0264(13) Uani 1 1 d . . .
H4 H 0.6381 0.6956 -0.1625 0.032 Uiso 1 1 calc R . .
C5 C 0.5678(7) 0.7838(5) -0.0472(5) 0.0272(13) Uani 1 1 d . . .
H5 H 0.5155 0.8215 -0.0716 0.033 Uiso 1 1 calc R . .
C6 C 0.7878(7) 0.6075(5) -0.0573(4) 0.0237(12) Uani 1 1 d . . .
H6A H 0.8606 0.6320 -0.0892 0.028 Uiso 1 1 calc R . .
H6B H 0.7283 0.5398 -0.1014 0.028 Uiso 1 1 calc R . .
C7 C 0.8591(7) 0.5942(5) 0.0278(4) 0.0223(12) Uani 1 1 d . . .
C8 C 0.8055(7) 0.5061(5) 0.0475(4) 0.0220(12) Uani 1 1 d . . .
C9 C 0.8811(7) 0.4920(5) 0.1236(4) 0.0243(13) Uani 1 1 d . . .
C10 C 1.0003(7) 0.5657(5) 0.1805(5) 0.0261(13) Uani 1 1 d . . .
C11 C 1.0476(7) 0.6551(6) 0.1614(5) 0.0289(14) Uani 1 1 d . . .
H11 H 1.1279 0.7067 0.2015 0.035 Uiso 1 1 calc R . .
C12 C 0.9794(7) 0.6693(5) 0.0851(5) 0.0253(13) Uani 1 1 d . . .
C13 C 0.6711(7) 0.4283(5) -0.0110(5) 0.0289(14) Uani 1 1 d . . .
H13A H 0.6098 0.4629 -0.0364 0.043 Uiso 1 1 calc R . .
H13B H 0.6229 0.3965 0.0278 0.043 Uiso 1 1 calc R . .
H13C H 0.6932 0.3751 -0.0626 0.043 Uiso 1 1 calc R . .
C14 C 1.0828(8) 0.5554(6) 0.2645(5) 0.0338(15) Uani 1 1 d . . .
H14A H 1.1308 0.5005 0.2428 0.051 Uiso 1 1 calc R . .
H14B H 1.0181 0.5385 0.3036 0.051 Uiso 1 1 calc R . .
H14C H 1.1527 0.6206 0.3011 0.051 Uiso 1 1 calc R . .
C15 C 1.0361(8) 0.7672(5) 0.0683(5) 0.0325(15) Uani 1 1 d . . .
H15A H 0.9661 0.8077 0.0750 0.049 Uiso 1 1 calc R . .
H15B H 1.0558 0.7495 0.0050 0.049 Uiso 1 1 calc R . .
H15C H 1.1231 0.8076 0.1140 0.049 Uiso 1 1 calc R . .
C16 C 0.8359(7) 0.3925(5) 0.1386(5) 0.0259(13) Uani 1 1 d . . .
H16A H 0.7875 0.3375 0.0778 0.031 Uiso 1 1 calc R . .
H16B H 0.9209 0.3740 0.1610 0.031 Uiso 1 1 calc R . .
N17 N 0.7408(6) 0.3959(4) 0.2066(4) 0.0248(11) Uani 1 1 d . . .
C18 C 0.6731(7) 0.4686(5) 0.2404(4) 0.0233(12) Uani 1 1 d . . .
H18 H 0.6801 0.5282 0.2249 0.028 Uiso 1 1 calc R . .
N19 N 0.5948(6) 0.4462(4) 0.2986(4) 0.0227(10) Uani 1 1 d . . .
C20 C 0.6108(7) 0.3515(5) 0.2981(4) 0.0244(13) Uani 1 1 d . . .
H20 H 0.5658 0.3143 0.3321 0.029 Uiso 1 1 calc R . .
C21 C 0.7015(7) 0.3206(5) 0.2409(4) 0.0235(12) Uani 1 1 d . . .
H21 H 0.7314 0.2588 0.2277 0.028 Uiso 1 1 calc R . .
N22 N 0.3304(6) 0.5955(4) 0.4550(4) 0.0248(11) Uani 1 1 d . . .
C23 C 0.3199(7) 0.6915(5) 0.4825(4) 0.0204(12) Uani 1 1 d . . .
H23 H 0.3796 0.7458 0.4718 0.024 Uiso 1 1 calc R . .
N24 N 0.2118(6) 0.7014(4) 0.5281(4) 0.0228(11) Uani 1 1 d . . .
C25 C 0.1489(7) 0.6064(5) 0.5277(4) 0.0237(12) Uani 1 1 d . . .
H25 H 0.0699 0.5897 0.5543 0.028 Uiso 1 1 calc R . .
C26 C 0.2226(7) 0.5406(5) 0.4813(5) 0.0245(13) Uani 1 1 d . . .
H26 H 0.2028 0.4689 0.4692 0.029 Uiso 1 1 calc R . .
C27 C 0.1693(7) 0.7977(5) 0.5711(4) 0.0219(12) Uani 1 1 d . . .
H27A H 0.2517 0.8511 0.6150 0.026 Uiso 1 1 calc R . .
H27B H 0.0963 0.7853 0.6076 0.026 Uiso 1 1 calc R . .
C28 C 0.1114(6) 0.8377(5) 0.4982(4) 0.0196(11) Uani 1 1 d . . .
C29 C 0.1902(6) 0.9267(4) 0.4904(4) 0.0199(11) Uani 1 1 d . . .
C30 C 0.1354(6) 0.9651(5) 0.4256(4) 0.0204(12) Uani 1 1 d . . .
C31 C 0.0041(7) 0.9108(5) 0.3646(4) 0.0220(12) Uani 1 1 d . . .
C32 C -0.0714(7) 0.8228(5) 0.3737(4) 0.0240(12) Uani 1 1 d . . .
H32 H -0.1601 0.7864 0.3333 0.029 Uiso 1 1 calc R . .
C33 C -0.0207(6) 0.7859(5) 0.4409(4) 0.0209(12) Uani 1 1 d . . .
C34 C 0.3332(7) 0.9841(5) 0.5529(5) 0.0262(13) Uani 1 1 d . . .
H34A H 0.3887 1.0242 0.5227 0.039 Uiso 1 1 calc R . .
H34B H 0.3825 0.9347 0.5636 0.039 Uiso 1 1 calc R . .
H34C H 0.3211 1.0306 0.6130 0.039 Uiso 1 1 calc R . .
C35 C -0.0566(8) 0.9476(5) 0.2919(5) 0.0284(14) Uani 1 1 d . . .
H35A H -0.1417 0.8959 0.2519 0.043 Uiso 1 1 calc R . .
H35B H 0.0129 0.9584 0.2536 0.043 Uiso 1 1 calc R . .
H35C H -0.0805 1.0126 0.3230 0.043 Uiso 1 1 calc R . .
C36 C -0.1148(7) 0.6944(5) 0.4514(5) 0.0256(13) Uani 1 1 d . . .
H36A H -0.0772 0.6341 0.4278 0.038 Uiso 1 1 calc R . .
H36B H -0.2100 0.6800 0.4157 0.038 Uiso 1 1 calc R . .
H36C H -0.1184 0.7098 0.5176 0.038 Uiso 1 1 calc R . .
C37 C 0.2100(7) 1.0665(5) 0.4214(4) 0.0226(12) Uani 1 1 d . . .
H37A H 0.1388 1.1004 0.4043 0.027 Uiso 1 1 calc R . .
H37B H 0.2657 1.1120 0.4843 0.027 Uiso 1 1 calc R . .
N38 N 0.3046(5) 1.0544(4) 0.3534(4) 0.0201(10) Uani 1 1 d . . .
C39 C 0.3395(7) 0.9680(5) 0.3040(4) 0.0222(12) Uani 1 1 d . . .
H39 H 0.3066 0.9027 0.3081 0.027 Uiso 1 1 calc R . .
N40 N 0.4263(6) 0.9866(4) 0.2486(4) 0.0240(11) Uani 1 1 d . . .
C41 C 0.4461(8) 1.0902(5) 0.2643(5) 0.0301(15) Uani 1 1 d . . .
H41 H 0.5032 1.1263 0.2344 0.036 Uiso 1 1 calc R . .
C42 C 0.3717(7) 1.1327(5) 0.3290(5) 0.0281(14) Uani 1 1 d . . .
H42 H 0.3672 1.2024 0.3524 0.034 Uiso 1 1 calc R . .
B43 B 0.5055(8) 0.7213(5) 0.2827(6) 0.0266(15) Uani 1 1 d . . .
F44 F 0.6087(5) 0.7689(4) 0.2478(3) 0.0404(10) Uani 1 1 d . . .
F45 F 0.5594(4) 0.7425(3) 0.3774(3) 0.0342(9) Uani 1 1 d . . .
F46 F 0.4714(6) 0.6143(3) 0.2352(3) 0.0433(11) Uani 1 1 d . . .
F47 F 0.3884(5) 0.7560(3) 0.2755(4) 0.0458(12) Uani 1 1 d . . .
B49 B 1.1042(8) 1.2703(6) 0.2670(6) 0.0275(15) Uani 1 1 d . . .
F50 F 1.0643(5) 1.1757(3) 0.2777(3) 0.0355(9) Uani 1 1 d . . .
F51 F 1.0757(5) 1.2545(3) 0.1720(3) 0.0370(10) Uani 1 1 d . . .
F52 F 1.2453(4) 1.3158(3) 0.3058(3) 0.0373(10) Uani 1 1 d . . .
F53 F 1.0242(4) 1.3338(3) 0.3136(3) 0.0346(9) Uani 1 1 d . . .
O54 O 0.7740(7) 1.0851(4) 0.1727(4) 0.0436(13) Uani 1 1 d D . .
C55 C 0.756(2) 1.0655(14) 0.0759(12) 0.036(4) Uani 0.50(3) 1 d P A 1
H55A H 0.7683 1.1318 0.0667 0.044 Uiso 0.50(3) 1 calc PR A 1
H55B H 0.6583 1.0242 0.0454 0.044 Uiso 0.50(3) 1 calc PR A 1
C55A C 0.814(2) 1.0406(14) 0.0819(13) 0.039(5) Uani 0.50(3) 1 d P A 2
H55C H 0.9083 1.0795 0.0815 0.047 Uiso 0.50(3) 1 calc PRD A 2
H55D H 0.8145 0.9678 0.0685 0.047 Uiso 0.50(3) 1 calc PR A 2
C56 C 0.8550(18) 1.0103(13) 0.0300(14) 0.049(6) Uani 0.50(3) 1 d P A 1
H56A H 0.9519 1.0504 0.0600 0.074 Uiso 0.50(3) 1 calc PR A 1
H56B H 0.8391 1.0009 -0.0364 0.074 Uiso 0.50(3) 1 calc PR A 1
H56C H 0.8397 0.9428 0.0358 0.074 Uiso 0.50(3) 1 calc PR A 1
C56A C 0.707(2) 1.0480(15) 0.0123(17) 0.056(7) Uani 0.50(3) 1 d P A 2
H56D H 0.6936 1.1179 0.0333 0.084 Uiso 0.50(3) 1 calc PR A 2
H56E H 0.6173 0.9987 0.0048 0.084 Uiso 0.50(3) 1 calc PR A 2
H56F H 0.7374 1.0323 -0.0478 0.084 Uiso 0.50(3) 1 calc PR A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N40 2.085(5) . ?
Ag1 N1 2.096(5) . ?
N1 C2 1.316(8) . ?
N1 C5 1.375(8) . ?
Ag2 N19 2.087(5) . ?
Ag2 N22 2.096(5) . ?
C2 N3 1.352(8) . ?
C2 H2 0.9500 . ?
N3 C4 1.384(8) . ?
N3 C6 1.477(8) . ?
C4 C5 1.373(9) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.510(9) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C12 1.399(9) . ?
C7 C8 1.409(9) . ?
C8 C9 1.416(9) . ?
C8 C13 1.508(9) . ?
C9 C10 1.382(10) . ?
C9 C16 1.504(9) . ?
C10 C11 1.408(10) . ?
C10 C14 1.521(9) . ?
C11 C12 1.388(10) . ?
C11 H11 0.9500 . ?
C12 C15 1.515(9) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 N17 1.484(8) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
N17 C18 1.339(8) . ?
N17 C21 1.362(8) . ?
C18 N19 1.330(8) . ?
C18 H18 0.9500 . ?
N19 C20 1.389(8) . ?
C20 C21 1.364(9) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
N22 C23 1.320(8) . ?
N22 C26 1.377(8) . ?
C23 N24 1.352(8) . ?
C23 H23 0.9500 . ?
N24 C25 1.371(8) . ?
N24 C27 1.479(8) . ?
C25 C26 1.368(9) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.531(8) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C33 1.394(9) . ?
C28 C29 1.402(8) . ?
C29 C30 1.402(8) . ?
C29 C34 1.515(9) . ?
C30 C31 1.414(9) . ?
C30 C37 1.513(8) . ?
C31 C32 1.387(9) . ?
C31 C35 1.508(9) . ?
C32 C33 1.404(9) . ?
C32 H32 0.9500 . ?
C33 C36 1.513(9) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 N38 1.478(7) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
N38 C39 1.349(8) . ?
N38 C42 1.370(8) . ?
C39 N40 1.331(8) . ?
C39 H39 0.9500 . ?
N40 C41 1.384(8) . ?
C41 C42 1.360(9) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
B43 F47 1.354(8) . ?
B43 F44 1.376(8) . ?
B43 F46 1.402(8) . ?
B43 F45 1.409(9) . ?
B49 F52 1.382(9) . ?
B49 F53 1.395(8) . ?
B49 F51 1.396(9) . ?
B49 F50 1.399(8) . ?
O54 C55 1.412(18) . ?
O54 C55A 1.470(18) . ?
O54 H54 0.97(2) . ?
C55 C56 1.48(3) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55A C56A 1.47(3) . ?
C55A H55C 0.9900 . ?
C55A H55D 0.9900 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C56A H56D 0.9800 . ?
C56A H56E 0.9800 . ?
C56A H56F 0.9800 . ?

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
N40 Ag1 N1 172.4(2) . . ?
C2 N1 C5 106.3(5) . . ?
C2 N1 Ag1 127.2(4) . . ?
C5 N1 Ag1 126.4(4) . . ?
N19 Ag2 N22 173.8(2) . . ?
N1 C2 N3 111.0(5) . . ?
N1 C2 H2 124.5 . . ?
N3 C2 H2 124.5 . . ?
C2 N3 C4 107.8(5) . . ?
C2 N3 C6 128.1(5) . . ?
C4 N3 C6 124.1(5) . . ?
C5 C4 N3 105.1(5) . . ?
C5 C4 H4 127.5 . . ?
N3 C4 H4 127.5 . . ?
C4 C5 N1 109.8(6) . . ?
C4 C5 H5 125.1 . . ?
N1 C5 H5 125.1 . . ?
N3 C6 C7 112.8(5) . . ?
N3 C6 H6A 109.0 . . ?
C7 C6 H6A 109.0 . . ?
N3 C6 H6B 109.0 . . ?
C7 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
C12 C7 C8 121.0(6) . . ?
C12 C7 C6 119.1(6) . . ?
C8 C7 C6 119.9(6) . . ?
C7 C8 C9 118.5(6) . . ?
C7 C8 C13 120.8(6) . . ?
C9 C8 C13 120.7(6) . . ?
C10 C9 C8 120.9(6) . . ?
C10 C9 C16 119.7(6) . . ?
C8 C9 C16 119.3(6) . . ?
C9 C10 C11 119.2(6) . . ?
C9 C10 C14 122.9(6) . . ?
C11 C10 C14 117.9(6) . . ?
C12 C11 C10 121.4(6) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C11 C12 C7 119.0(6) . . ?
C11 C12 C15 118.7(6) . . ?
C7 C12 C15 122.3(6) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N17 C16 C9 114.1(5) . . ?
N17 C16 H16A 108.7 . . ?
C9 C16 H16A 108.7 . . ?
N17 C16 H16B 108.7 . . ?
C9 C16 H16B 108.7 . . ?
H16A C16 H16B 107.6 . . ?
C18 N17 C21 108.3(5) . . ?
C18 N17 C16 126.9(5) . . ?
C21 N17 C16 124.7(5) . . ?
N19 C18 N17 110.8(5) . . ?
N19 C18 H18 124.6 . . ?
N17 C18 H18 124.6 . . ?
C18 N19 C20 105.7(5) . . ?
C18 N19 Ag2 129.8(4) . . ?
C20 N19 Ag2 124.5(4) . . ?
C21 C20 N19 108.9(6) . . ?
C21 C20 H20 125.6 . . ?
N19 C20 H20 125.6 . . ?
N17 C21 C20 106.4(5) . . ?
N17 C21 H21 126.8 . . ?
C20 C21 H21 126.8 . . ?
C23 N22 C26 107.0(5) . . ?
C23 N22 Ag2 129.3(4) . . ?
C26 N22 Ag2 123.4(4) . . ?
N22 C23 N24 110.2(5) . . ?
N22 C23 H23 124.9 . . ?
N24 C23 H23 124.9 . . ?
C23 N24 C25 107.8(5) . . ?
C23 N24 C27 126.1(5) . . ?
C25 N24 C27 126.1(5) . . ?
C26 C25 N24 106.2(5) . . ?
C26 C25 H25 126.9 . . ?
N24 C25 H25 126.9 . . ?
C25 C26 N22 108.7(5) . . ?
C25 C26 H26 125.7 . . ?
N22 C26 H26 125.7 . . ?
N24 C27 C28 112.4(5) . . ?
N24 C27 H27A 109.1 . . ?
C28 C27 H27A 109.1 . . ?
N24 C27 H27B 109.1 . . ?
C28 C27 H27B 109.1 . . ?
H27A C27 H27B 107.9 . . ?
C33 C28 C29 120.4(5) . . ?
C33 C28 C27 119.6(5) . . ?
C29 C28 C27 120.0(6) . . ?
C30 C29 C28 120.0(6) . . ?
C30 C29 C34 119.2(5) . . ?
C28 C29 C34 120.8(5) . . ?
C29 C30 C31 120.0(6) . . ?
C29 C30 C37 121.8(6) . . ?
C31 C30 C37 118.2(5) . . ?
C32 C31 C30 118.7(6) . . ?
C32 C31 C35 119.6(6) . . ?
C30 C31 C35 121.7(6) . . ?
C31 C32 C33 121.9(6) . . ?
C31 C32 H32 119.0 . . ?
C33 C32 H32 119.0 . . ?
C28 C33 C32 118.9(6) . . ?
C28 C33 C36 122.6(6) . . ?
C32 C33 C36 118.5(6) . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C31 C35 H35A 109.5 . . ?
C31 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C31 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N38 C37 C30 112.9(5) . . ?
N38 C37 H37A 109.0 . . ?
C30 C37 H37A 109.0 . . ?
N38 C37 H37B 109.0 . . ?
C30 C37 H37B 109.0 . . ?
H37A C37 H37B 107.8 . . ?
C39 N38 C42 107.9(5) . . ?
C39 N38 C37 128.0(5) . . ?
C42 N38 C37 124.1(5) . . ?
N40 C39 N38 110.9(5) . . ?
N40 C39 H39 124.6 . . ?
N38 C39 H39 124.6 . . ?
C39 N40 C41 105.4(5) . . ?
C39 N40 Ag1 129.2(4) . . ?
C41 N40 Ag1 125.4(4) . . ?
C42 C41 N40 109.8(6) . . ?
C42 C41 H41 125.1 . . ?
N40 C41 H41 125.1 . . ?
C41 C42 N38 106.0(6) . . ?
C41 C42 H42 127.0 . . ?
N38 C42 H42 127.0 . . ?
F47 B43 F44 111.1(6) . . ?
F47 B43 F46 109.7(6) . . ?
F44 B43 F46 110.3(6) . . ?
F47 B43 F45 109.8(6) . . ?
F44 B43 F45 108.0(6) . . ?
F46 B43 F45 107.8(5) . . ?
F52 B49 F53 109.2(6) . . ?
F52 B49 F51 111.4(6) . . ?
F53 B49 F51 109.0(6) . . ?
F52 B49 F50 109.9(6) . . ?
F53 B49 F50 108.1(6) . . ?
F51 B49 F50 109.2(6) . . ?
C55 O54 H54 125.5(19) . . ?
C55A O54 H54 100(2) . . ?
O54 C55 C56 113.3(17) . . ?
O54 C55 H55A 108.9 . . ?
C56 C55 H55A 108.9 . . ?
O54 C55 H55B 108.9 . . ?
C56 C55 H55B 108.9 . . ?
H55A C55 H55B 107.7 . . ?
C56A C55A O54 105.9(16) . . ?
C56A C55A H55C 110.6 . . ?
O54 C55A H55C 110.6 . . ?
C56A C55A H55D 110.6 . . ?
O54 C55A H55D 110.6 . . ?
H55C C55A H55D 108.7 . . ?
C55A C56A H56D 109.5 . . ?
C55A C56A H56E 109.5 . . ?
H56D C56A H56E 109.5 . . ?
C55A C56A H56F 109.5 . . ?
H56D C56A H56F 109.5 . . ?
H56E C56A H56F 109.5 . . ?

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
C5 N1 C2 N3 -0.1(7) . . . . ?
Ag1 N1 C2 N3 -177.5(4) . . . . ?
N1 C2 N3 C4 -0.7(7) . . . . ?
N1 C2 N3 C6 178.8(6) . . . . ?
C2 N3 C4 C5 1.2(7) . . . . ?
C6 N3 C4 C5 -178.4(6) . . . . ?
N3 C4 C5 N1 -1.3(8) . . . . ?
C2 N1 C5 C4 0.9(8) . . . . ?
Ag1 N1 C5 C4 178.3(4) . . . . ?
C2 N3 C6 C7 -6.9(9) . . . . ?
C4 N3 C6 C7 172.6(6) . . . . ?
N3 C6 C7 C12 -78.6(7) . . . . ?
N3 C6 C7 C8 102.4(6) . . . . ?
C12 C7 C8 C9 -3.8(8) . . . . ?
C6 C7 C8 C9 175.1(5) . . . . ?
C12 C7 C8 C13 176.4(6) . . . . ?
C6 C7 C8 C13 -4.7(8) . . . . ?
C7 C8 C9 C10 3.7(9) . . . . ?
C13 C8 C9 C10 -176.5(6) . . . . ?
C7 C8 C9 C16 -172.5(5) . . . . ?
C13 C8 C9 C16 7.3(8) . . . . ?
C8 C9 C10 C11 -0.9(9) . . . . ?
C16 C9 C10 C11 175.2(6) . . . . ?
C8 C9 C10 C14 178.3(6) . . . . ?
C16 C9 C10 C14 -5.5(9) . . . . ?
C9 C10 C11 C12 -1.8(9) . . . . ?
C14 C10 C11 C12 178.9(6) . . . . ?
C10 C11 C12 C7 1.6(9) . . . . ?
C10 C11 C12 C15 -179.8(6) . . . . ?
C8 C7 C12 C11 1.2(9) . . . . ?
C6 C7 C12 C11 -177.7(5) . . . . ?
C8 C7 C12 C15 -177.3(6) . . . . ?
C6 C7 C12 C15 3.8(9) . . . . ?
C10 C9 C16 N17 88.6(7) . . . . ?
C8 C9 C16 N17 -95.2(7) . . . . ?
C9 C16 N17 C18 13.3(10) . . . . ?
C9 C16 N17 C21 -170.7(6) . . . . ?
C21 N17 C18 N19 2.4(8) . . . . ?
C16 N17 C18 N19 178.9(6) . . . . ?
N17 C18 N19 C20 -2.3(7) . . . . ?
N17 C18 N19 Ag2 179.3(4) . . . . ?
C18 N19 C20 C21 1.4(7) . . . . ?
Ag2 N19 C20 C21 179.9(4) . . . . ?
C18 N17 C21 C20 -1.4(7) . . . . ?
C16 N17 C21 C20 -178.0(6) . . . . ?
N19 C20 C21 N17 0.0(7) . . . . ?
C26 N22 C23 N24 1.8(7) . . . . ?
Ag2 N22 C23 N24 176.0(4) . . . . ?
N22 C23 N24 C25 -1.3(7) . . . . ?
N22 C23 N24 C27 178.5(6) . . . . ?
C23 N24 C25 C26 0.3(7) . . . . ?
C27 N24 C25 C26 -179.5(6) . . . . ?
N24 C25 C26 N22 0.8(7) . . . . ?
C23 N22 C26 C25 -1.6(7) . . . . ?
Ag2 N22 C26 C25 -176.3(4) . . . . ?
C23 N24 C27 C28 67.0(8) . . . . ?
C25 N24 C27 C28 -113.2(7) . . . . ?
N24 C27 C28 C33 71.9(7) . . . . ?
N24 C27 C28 C29 -109.0(6) . . . . ?
C33 C28 C29 C30 1.0(8) . . . . ?
C27 C28 C29 C30 -178.0(5) . . . . ?
C33 C28 C29 C34 179.4(5) . . . . ?
C27 C28 C29 C34 0.4(8) . . . . ?
C28 C29 C30 C31 -3.5(8) . . . . ?
C34 C29 C30 C31 178.0(5) . . . . ?
C28 C29 C30 C37 173.8(5) . . . . ?
C34 C29 C30 C37 -4.7(8) . . . . ?
C29 C30 C31 C32 3.3(8) . . . . ?
C37 C30 C31 C32 -174.1(5) . . . . ?
C29 C30 C31 C35 -178.1(5) . . . . ?
C37 C30 C31 C35 4.5(8) . . . . ?
C30 C31 C32 C33 -0.6(9) . . . . ?
C35 C31 C32 C33 -179.2(6) . . . . ?
C29 C28 C33 C32 1.7(8) . . . . ?
C27 C28 C33 C32 -179.2(5) . . . . ?
C29 C28 C33 C36 -175.2(5) . . . . ?
C27 C28 C33 C36 3.9(8) . . . . ?
C31 C32 C33 C28 -1.9(9) . . . . ?
C31 C32 C33 C36 175.1(6) . . . . ?
C29 C30 C37 N38 93.1(7) . . . . ?
C31 C30 C37 N38 -89.5(7) . . . . ?
C30 C37 N38 C39 -6.7(9) . . . . ?
C30 C37 N38 C42 172.4(6) . . . . ?
C42 N38 C39 N40 0.0(8) . . . . ?
C37 N38 C39 N40 179.2(6) . . . . ?
N38 C39 N40 C41 -0.2(7) . . . . ?
N38 C39 N40 Ag1 -177.8(4) . . . . ?
C39 N40 C41 C42 0.2(8) . . . . ?
Ag1 N40 C41 C42 178.0(5) . . . . ?
N40 C41 C42 N38 -0.2(8) . . . . ?
C39 N38 C42 C41 0.1(8) . . . . ?
C37 N38 C42 C41 -179.1(6) . . . . ?
C55A O54 C55 C56 -1.7(17) . . . . ?
C55 O54 C55A C56A -9.4(18) . . . . ?

_diffrn_measured_fraction_theta_max 0.870
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         3.475
_refine_diff_density_min         -1.367
_refine_diff_density_rms         0.164
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 1411593'
_audit_update_record             
;
2015-07-08 deposited with the CCDC.
2015-09-07 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            work
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H40 Ag2 N8, 2(F6 Sb)'
_chemical_formula_sum            'C34 H40 Ag2 F12 N8 Sb2'
_chemical_formula_weight         1247.98

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   8.9070(4)
_cell_length_b                   9.6544(4)
_cell_length_c                   12.2203(5)
_cell_angle_alpha                92.845(2)
_cell_angle_beta                 103.284(2)
_cell_angle_gamma                101.842(2)
_cell_volume                     995.78(7)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.081
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             604
_exptl_absorpt_coefficient_mu    19.266
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0566
_exptl_absorpt_correction_T_max  0.1885
_exptl_absorpt_process_details   'SADABS in SAINT-Plus (Bruker, 2003)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'crossed G\"obel mirrors'
_diffrn_measurement_device_type  'SMART 6000'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9080
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.74
_diffrn_reflns_theta_max         69.87
_reflns_number_total             3531
_reflns_number_gt                3040
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2002)'
_computing_cell_refinement       'SAINT PLUS(Bruker, 2003)'
_computing_data_reduction        'SAINT PLUS'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0474P)²+1.1974P] 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         3531
_refine_ls_number_parameters     268
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0388
_refine_ls_wR_factor_ref         0.0931
_refine_ls_wR_factor_gt          0.0895
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.71356(5) 1.05068(4) 0.83294(4) 0.03441(13) Uani 1 1 d . . .
N1 N 0.8870(5) 0.9480(5) 0.8008(4) 0.0314(10) Uani 1 1 d . . .
C2 C 0.8691(6) 0.8500(6) 0.7167(5) 0.0328(12) Uani 1 1 d . . .
H2 H 0.7702 0.8058 0.6669 0.039 Uiso 1 1 calc R . .
N3 N 1.0080(5) 0.8204(5) 0.7103(4) 0.0278(9) Uani 1 1 d . . .
C4 C 1.1225(6) 0.9034(6) 0.7972(5) 0.0316(12) Uani 1 1 d . . .
H4 H 1.2326 0.9057 0.8152 0.038 Uiso 1 1 calc R . .
C5 C 1.0463(7) 0.9816(6) 0.8522(5) 0.0349(12) Uani 1 1 d . . .
H5 H 1.0955 1.0489 0.9163 0.042 Uiso 1 1 calc R . .
C6 C 1.0355(6) 0.7090(6) 0.6349(5) 0.0321(12) Uani 1 1 d . . .
H6A H 1.0633 0.6316 0.6802 0.038 Uiso 1 1 calc R . .
H6B H 1.1276 0.7500 0.6052 0.038 Uiso 1 1 calc R . .
C7 C 0.8967(6) 0.6456(6) 0.5361(5) 0.0303(11) Uani 1 1 d . . .
C8 C 0.8861(6) 0.6953(6) 0.4291(5) 0.0315(12) Uani 1 1 d . . .
C9 C 0.7720(6) 0.6189(6) 0.3361(5) 0.0317(12) Uani 1 1 d . . .
C10 C 0.6634(6) 0.4988(6) 0.3490(5) 0.0327(12) Uani 1 1 d . . .
C11 C 0.6683(6) 0.4586(6) 0.4574(5) 0.0327(12) Uani 1 1 d . . .
H11 H 0.5893 0.3812 0.4677 0.039 Uiso 1 1 calc R . .
C12 C 0.7838(7) 0.5273(6) 0.5499(5) 0.0328(12) Uani 1 1 d . . .
C13 C 0.9972(7) 0.8308(6) 0.4147(6) 0.0399(13) Uani 1 1 d . . .
H13A H 1.0567 0.8789 0.4892 0.060 Uiso 1 1 calc R . .
H13B H 0.9358 0.8936 0.3735 0.060 Uiso 1 1 calc R . .
H13C H 1.0711 0.8075 0.3721 0.060 Uiso 1 1 calc R . .
C14 C 0.5443(7) 0.4100(7) 0.2485(5) 0.0427(14) Uani 1 1 d . . .
H14A H 0.4773 0.4693 0.2080 0.064 Uiso 1 1 calc R . .
H14B H 0.4782 0.3309 0.2748 0.064 Uiso 1 1 calc R . .
H14C H 0.6002 0.3725 0.1976 0.064 Uiso 1 1 calc R . .
C15 C 0.7897(10) 0.4777(7) 0.6641(5) 0.0503(18) Uani 1 1 d . . .
H15A H 0.8766 0.4286 0.6847 0.075 Uiso 1 1 calc R . .
H15B H 0.6894 0.4122 0.6631 0.075 Uiso 1 1 calc R . .
H15C H 0.8070 0.5597 0.7197 0.075 Uiso 1 1 calc R . .
C16 C 0.7771(7) 0.6586(7) 0.2181(5) 0.0354(13) Uani 1 1 d . . .
H16A H 0.8794 0.7251 0.2224 0.042 Uiso 1 1 calc R . .
H16B H 0.7730 0.5717 0.1700 0.042 Uiso 1 1 calc R . .
N17 N 0.6483(5) 0.7248(5) 0.1635(4) 0.0313(10) Uani 1 1 d . . .
C18 C 0.5640(6) 0.7962(6) 0.2128(5) 0.0325(12) Uani 1 1 d . . .
H18 H 0.5744 0.8077 0.2921 0.039 Uiso 1 1 calc R . .
N19 N 0.4643(6) 0.8488(5) 0.1379(4) 0.0364(11) Uani 1 1 d . . .
C20 C 0.4867(8) 0.8094(8) 0.0346(5) 0.0468(16) Uani 1 1 d . . .
H20 H 0.4313 0.8313 -0.0363 0.056 Uiso 1 1 calc R . .
C21 C 0.6013(8) 0.7339(7) 0.0507(5) 0.0455(16) Uani 1 1 d . . .
H21 H 0.6413 0.6946 -0.0064 0.055 Uiso 1 1 calc R . .
Sb22 Sb 0.5000 1.0000 0.5000 0.02968(14) Uani 1 2 d S . .
F23 F 0.4514(7) 0.8948(4) 0.6160(3) 0.0759(15) Uani 1 1 d . . .
F24 F 0.6565(5) 0.9035(6) 0.4909(4) 0.0777(15) Uani 1 1 d . . .
F25 F 0.3575(4) 0.8622(4) 0.3904(3) 0.0465(9) Uani 1 1 d . . .
Sb26 Sb 1.0000 1.5000 1.0000 0.02919(14) Uani 1 2 d S . .
F27 F 0.9088(4) 1.4058(4) 1.1076(3) 0.0401(8) Uani 1 1 d . . .
F28 F 1.1914(4) 1.4487(4) 1.0611(3) 0.0445(8) Uani 1 1 d . . .
F29 F 0.9356(4) 1.3304(4) 0.9029(3) 0.0436(8) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.096(5) . ?
Ag1 N19 2.106(5) 2_676 ?
N1 C2 1.320(7) . ?
N1 C5 1.376(7) . ?
C2 N3 1.344(7) . ?
C2 H2 0.9500 . ?
N3 C4 1.376(7) . ?
N3 C6 1.475(7) . ?
C4 C5 1.361(8) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.514(8) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C12 1.404(8) . ?
C7 C8 1.404(8) . ?
C8 C9 1.395(8) . ?
C8 C13 1.514(8) . ?
C9 C10 1.390(8) . ?
C9 C16 1.519(7) . ?
C10 C11 1.393(8) . ?
C10 C14 1.514(8) . ?
C11 C12 1.374(8) . ?
C11 H11 0.9500 . ?
C12 C15 1.491(8) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 N17 1.470(7) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
N17 C18 1.334(7) . ?
N17 C21 1.359(8) . ?
C18 N19 1.320(7) . ?
C18 H18 0.9500 . ?
N19 C20 1.369(8) . ?
N19 Ag1 2.106(5) 2_676 ?
C20 C21 1.356(8) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
Sb22 F24 1.848(4) 2_676 ?
Sb22 F24 1.848(4) . ?
Sb22 F23 1.863(4) 2_676 ?
Sb22 F23 1.863(4) . ?
Sb22 F25 1.877(3) . ?
Sb22 F25 1.877(3) 2_676 ?
Sb26 F28 1.873(3) 2_787 ?
Sb26 F28 1.873(3) . ?
Sb26 F27 1.877(3) . ?
Sb26 F27 1.877(3) 2_787 ?
Sb26 F29 1.878(3) 2_787 ?
Sb26 F29 1.878(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 Ag1 N19 178.75(19) . 2_676 ?
C2 N1 C5 105.6(5) . . ?
C2 N1 Ag1 126.4(4) . . ?
C5 N1 Ag1 127.4(4) . . ?
N1 C2 N3 111.7(5) . . ?
N1 C2 H2 124.2 . . ?
N3 C2 H2 124.2 . . ?
C2 N3 C4 107.0(5) . . ?
C2 N3 C6 127.9(5) . . ?
C4 N3 C6 124.7(4) . . ?
C5 C4 N3 106.2(5) . . ?
C5 C4 H4 126.9 . . ?
N3 C4 H4 126.9 . . ?
C4 C5 N1 109.5(5) . . ?
C4 C5 H5 125.2 . . ?
N1 C5 H5 125.2 . . ?
N3 C6 C7 114.9(4) . . ?
N3 C6 H6A 108.5 . . ?
C7 C6 H6A 108.5 . . ?
N3 C6 H6B 108.5 . . ?
C7 C6 H6B 108.5 . . ?
H6A C6 H6B 107.5 . . ?
C12 C7 C8 119.6(5) . . ?
C12 C7 C6 118.9(5) . . ?
C8 C7 C6 121.3(5) . . ?
C9 C8 C7 119.4(5) . . ?
C9 C8 C13 120.2(5) . . ?
C7 C8 C13 120.4(5) . . ?
C10 C9 C8 120.9(5) . . ?
C10 C9 C16 119.4(5) . . ?
C8 C9 C16 119.4(5) . . ?
C9 C10 C11 118.4(5) . . ?
C9 C10 C14 121.7(5) . . ?
C11 C10 C14 119.8(5) . . ?
C12 C11 C10 122.0(5) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C11 C12 C7 119.3(5) . . ?
C11 C12 C15 120.7(5) . . ?
C7 C12 C15 120.0(6) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N17 C16 C9 114.4(4) . . ?
N17 C16 H16A 108.7 . . ?
C9 C16 H16A 108.7 . . ?
N17 C16 H16B 108.7 . . ?
C9 C16 H16B 108.7 . . ?
H16A C16 H16B 107.6 . . ?
C18 N17 C21 106.6(5) . . ?
C18 N17 C16 128.1(5) . . ?
C21 N17 C16 125.2(5) . . ?
N19 C18 N17 111.7(5) . . ?
N19 C18 H18 124.2 . . ?
N17 C18 H18 124.2 . . ?
C18 N19 C20 105.9(5) . . ?
C18 N19 Ag1 127.4(4) . 2_676 ?
C20 N19 Ag1 126.3(4) . 2_676 ?
C21 C20 N19 108.4(5) . . ?
C21 C20 H20 125.8 . . ?
N19 C20 H20 125.8 . . ?
C20 C21 N17 107.4(5) . . ?
C20 C21 H21 126.3 . . ?
N17 C21 H21 126.3 . . ?
F24 Sb22 F24 180.000(2) 2_676 . ?
F24 Sb22 F23 90.2(3) 2_676 2_676 ?
F24 Sb22 F23 89.8(3) . 2_676 ?
F24 Sb22 F23 89.8(3) 2_676 . ?
F24 Sb22 F23 90.2(3) . . ?
F23 Sb22 F23 180.0(2) 2_676 . ?
F24 Sb22 F25 91.41(18) 2_676 . ?
F24 Sb22 F25 88.59(18) . . ?
F23 Sb22 F25 88.76(18) 2_676 . ?
F23 Sb22 F25 91.24(18) . . ?
F24 Sb22 F25 88.59(18) 2_676 2_676 ?
F24 Sb22 F25 91.41(18) . 2_676 ?
F23 Sb22 F25 91.24(18) 2_676 2_676 ?
F23 Sb22 F25 88.76(18) . 2_676 ?
F25 Sb22 F25 180.000(1) . 2_676 ?
F28 Sb26 F28 180.000(2) 2_787 . ?
F28 Sb26 F27 89.58(15) 2_787 . ?
F28 Sb26 F27 90.42(15) . . ?
F28 Sb26 F27 90.42(15) 2_787 2_787 ?
F28 Sb26 F27 89.58(15) . 2_787 ?
F27 Sb26 F27 180.000(1) . 2_787 ?
F28 Sb26 F29 89.09(16) 2_787 2_787 ?
F28 Sb26 F29 90.91(16) . 2_787 ?
F27 Sb26 F29 90.35(15) . 2_787 ?
F27 Sb26 F29 89.65(15) 2_787 2_787 ?
F28 Sb26 F29 90.91(16) 2_787 . ?
F28 Sb26 F29 89.09(16) . . ?
F27 Sb26 F29 89.65(15) . . ?
F27 Sb26 F29 90.35(15) 2_787 . ?
F29 Sb26 F29 180.00(14) 2_787 . ?

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

Ag1 N1 C2 N3 171.0(3) . . . . ?
N1 C2 N3 C4 1.0(6) . . . . ?
N1 C2 N3 C6 174.1(5) . . . . ?
C2 N3 C4 C5 -0.6(6) . . . . ?
C6 N3 C4 C5 -174.0(5) . . . . ?
N3 C4 C5 N1 0.1(6) . . . . ?
C2 N1 C5 C4 0.5(6) . . . . ?
Ag1 N1 C5 C4 -171.3(4) . . . . ?
C2 N3 C6 C7 15.8(8) . . . . ?
C4 N3 C6 C7 -172.2(5) . . . . ?
N3 C6 C7 C12 -89.1(6) . . . . ?
N3 C6 C7 C8 96.1(6) . . . . ?
C12 C7 C8 C9 -5.7(8) . . . . ?
C6 C7 C8 C9 169.0(5) . . . . ?
C12 C7 C8 C13 174.2(5) . . . . ?
C6 C7 C8 C13 -11.1(8) . . . . ?
C7 C8 C9 C10 3.5(8) . . . . ?
C13 C8 C9 C10 -176.4(5) . . . . ?
C7 C8 C9 C16 -170.2(5) . . . . ?
C13 C8 C9 C16 9.9(7) . . . . ?
C8 C9 C10 C11 1.8(8) . . . . ?
C16 C9 C10 C11 175.5(5) . . . . ?
C8 C9 C10 C14 -176.7(5) . . . . ?
C16 C9 C10 C14 -3.0(8) . . . . ?
C9 C10 C11 C12 -5.0(8) . . . . ?
C14 C10 C11 C12 173.6(5) . . . . ?
C10 C11 C12 C7 2.8(8) . . . . ?
C10 C11 C12 C15 -177.3(5) . . . . ?
C8 C7 C12 C11 2.6(8) . . . . ?
C6 C7 C12 C11 -172.2(5) . . . . ?
C8 C7 C12 C15 -177.2(5) . . . . ?
C6 C7 C12 C15 7.9(8) . . . . ?
C10 C9 C16 N17 76.4(7) . . . . ?
C8 C9 C16 N17 -109.8(6) . . . . ?
C9 C16 N17 C18 24.7(8) . . . . ?
C9 C16 N17 C21 -161.0(6) . . . . ?
C21 N17 C18 N19 0.8(7) . . . . ?
C16 N17 C18 N19 176.0(5) . . . . ?
N17 C18 N19 C20 -0.3(7) . . . . ?
N17 C18 N19 Ag1 172.4(4) . . . 2_676 ?
C18 N19 C20 C21 -0.4(8) . . . . ?
Ag1 N19 C20 C21 -173.2(5) 2_676 . . . ?
N19 C20 C21 N17 0.8(8) . . . . ?
C18 N17 C21 C20 -1.0(8) . . . . ?
C16 N17 C21 C20 -176.3(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.937
_diffrn_reflns_theta_full        67.75
_diffrn_measured_fraction_theta_full 0.961
_refine_diff_density_max         1.025
_refine_diff_density_min         -0.615
_refine_diff_density_rms         0.147
