#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:24:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179244 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/64/4316426.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4316426
loop_
_publ_author_name
'Tyler J. Morin'
'Andrew Merkel'
'Sergey V. Lindeman'
'James R. Gardinier'
_publ_section_title
;
 Breaking the Cycle: Impact of Sterically-Tailored
 Tetra(pyrazolyl)lutidines on the Self-Assembly of Silver(I) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7992
_journal_page_last               8002
_journal_paper_doi               10.1021/ic1010538
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C58 H72 Ag2 B2 F8 N20'
_chemical_formula_weight         1438.72
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                118.0520(10)
_cell_angle_beta                 103.8740(10)
_cell_angle_gamma                92.6180(10)
_cell_formula_units_Z            1
_cell_length_a                   11.0965(4)
_cell_length_b                   12.8261(2)
_cell_length_c                   13.1776(2)
_cell_measurement_reflns_used    9857
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      67
_cell_measurement_theta_min      4
_cell_volume                     1579.16(7)
_computing_cell_refinement       'SAINT v7.23A (Bruker, 2005)'
_computing_data_collection       'APEX2 v2.1-4 (Bruker, 2007)'
_computing_data_reduction        'SADABS-2004/1 (Bruker, 2005)'
_computing_molecular_graphics    'XP v5.1 (Bruker, 1998)'
_computing_publication_material  'XCIF v6.12 (Bruker, 2001)'
_computing_structure_refinement  'SHELXL-97 v.97-2 (Sheldrick, 1993-1997)'
_computing_structure_solution    'XS/SHELXTL v6.12 (Bruker, 2001)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'Bruker APEX2 CCD detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0176
_diffrn_reflns_av_sigmaI/netI    0.0181
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            13173
_diffrn_reflns_theta_full        67.00
_diffrn_reflns_theta_max         67.06
_diffrn_reflns_theta_min         3.97
_exptl_absorpt_coefficient_mu    5.648
_exptl_absorpt_correction_T_max  0.5755
_exptl_absorpt_correction_T_min  0.2734
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.454
_refine_diff_density_min         -0.339
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         5190
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0234
_refine_ls_R_factor_gt           0.0227
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0351P)²+1.0826P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0577
_refine_ls_wR_factor_ref         0.0581
_reflns_number_gt                5026
_reflns_number_total             5190
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1010538_si_002_5.cif
_cod_data_source_block           Agpzstar4lut_BF4_2CH3CN
_cod_database_code               4316426
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.465973(13) 1.154819(12) 0.415624(12) 0.01856(6) Uani 1 1 d . . .
N1 N 0.32356(15) 1.11981(14) 0.66411(14) 0.0147(3) Uani 1 1 d . . .
N12 N 0.23511(15) 1.29085(14) 0.50829(15) 0.0162(3) Uani 1 1 d . . .
N11 N 0.28750(16) 1.25169(15) 0.41558(15) 0.0183(3) Uani 1 1 d . . .
N22 N 0.41903(15) 1.33170(14) 0.67129(14) 0.0154(3) Uani 1 1 d . . .
N21 N 0.51180(15) 1.28883(15) 0.61844(14) 0.0170(3) Uani 1 1 d . . .
N42 N 0.32222(15) 0.87381(14) 0.73314(14) 0.0154(3) Uani 1 1 d . . .
N41 N 0.38579(15) 0.79310(14) 0.66549(14) 0.0165(3) Uani 1 1 d . . .
N32 N 0.47706(15) 1.05176(14) 0.81874(14) 0.0146(3) Uani 1 1 d . . .
N31 N 0.56423(15) 1.02710(14) 0.75661(14) 0.0164(3) Uani 1 1 d . . .
C2 C 0.26113(18) 1.14240(17) 0.57877(17) 0.0150(4) Uani 1 1 d . . .
C3 C 0.16599(19) 1.05958(18) 0.47672(18) 0.0179(4) Uani 1 1 d . . .
C4 C 0.13395(19) 0.94637(18) 0.46164(18) 0.0193(4) Uani 1 1 d . . .
C5 C 0.19660(19) 0.92189(18) 0.54990(18) 0.0179(4) Uani 1 1 d . . .
C6 C 0.28959(18) 1.01120(17) 0.64902(17) 0.0147(4) Uani 1 1 d . . .
C1 C 0.28746(19) 1.27397(17) 0.61117(17) 0.0160(4) Uani 1 1 d . . .
C7 C 0.34524(18) 0.99810(17) 0.75954(18) 0.0152(4) Uani 1 1 d . . .
C13 C 0.12859(18) 1.33540(17) 0.48561(18) 0.0180(4) Uani 1 1 d . . .
C12 C 0.1152(2) 1.32786(18) 0.37596(19) 0.0208(4) Uani 1 1 d . . .
C11 C 0.21465(19) 1.27556(18) 0.33550(18) 0.0193(4) Uani 1 1 d . . .
C23 C 0.46646(19) 1.43482(17) 0.77947(17) 0.0176(4) Uani 1 1 d . . .
C22 C 0.5932(2) 1.45998(19) 0.79627(19) 0.0197(4) Uani 1 1 d . . .
C21 C 0.61751(19) 1.36790(18) 0.69455(18) 0.0190(4) Uani 1 1 d . . .
C43 C 0.23400(18) 0.82111(18) 0.75896(18) 0.0174(4) Uani 1 1 d . . .
C42 C 0.24291(19) 0.70160(18) 0.70725(19) 0.0190(4) Uani 1 1 d . . .
C41 C 0.33839(18) 0.68803(17) 0.65094(17) 0.0165(4) Uani 1 1 d . . .
C33 C 0.53105(19) 1.12934(17) 0.93847(17) 0.0170(4) Uani 1 1 d . . .
C32 C 0.6569(2) 1.15675(19) 0.95364(19) 0.0214(4) Uani 1 1 d . . .
C31 C 0.67409(19) 1.09106(18) 0.83926(19) 0.0200(4) Uani 1 1 d . . .
C14 C 0.0487(2) 1.3768(2) 0.5682(2) 0.0230(4) Uani 1 1 d . . .
C10 C 0.2454(3) 1.2475(2) 0.2220(2) 0.0301(5) Uani 1 1 d . . .
C24 C 0.3871(2) 1.5006(2) 0.8576(2) 0.0231(4) Uani 1 1 d . . .
C20 C 0.7409(2) 1.3527(2) 0.6678(2) 0.0267(5) Uani 1 1 d . . .
C44 C 0.1496(2) 0.8898(2) 0.8295(2) 0.0231(4) Uani 1 1 d . . .
C40 C 0.3906(2) 0.57882(19) 0.5834(2) 0.0222(4) Uani 1 1 d . . .
C34 C 0.4583(2) 1.1668(2) 1.02830(19) 0.0242(5) Uani 1 1 d . . .
C30 C 0.7943(2) 1.0861(2) 0.8070(2) 0.0287(5) Uani 1 1 d . . .
H3 H 0.122(2) 1.080(2) 0.420(2) 0.018(6) Uiso 1 1 d . . .
H4 H 0.072(2) 0.886(2) 0.391(2) 0.023(6) Uiso 1 1 d . . .
H5 H 0.176(2) 0.850(2) 0.544(2) 0.023(6) Uiso 1 1 d . . .
H1 H 0.2412(19) 1.3166(18) 0.6680(18) 0.006(5) Uiso 1 1 d . . .
H7 H 0.3024(19) 1.0416(18) 0.8143(18) 0.005(5) Uiso 1 1 d . . .
H12 H 0.051(3) 1.350(2) 0.334(2) 0.030(7) Uiso 1 1 d . . .
H22 H 0.651(2) 1.523(2) 0.862(2) 0.015(5) Uiso 1 1 d . . .
H42 H 0.198(2) 0.644(2) 0.711(2) 0.018(6) Uiso 1 1 d . . .
H32 H 0.716(3) 1.205(2) 1.024(2) 0.029(7) Uiso 1 1 d . . .
H14A H 0.021(2) 1.315(2) 0.585(2) 0.031(7) Uiso 1 1 d . . .
H14B H 0.098(3) 1.447(3) 0.649(3) 0.044(8) Uiso 1 1 d . . .
H14C H -0.025(3) 1.400(3) 0.532(3) 0.043(8) Uiso 1 1 d . . .
H10A H 0.295(3) 1.194(3) 0.205(3) 0.063(10) Uiso 1 1 d . . .
H10B H 0.181(4) 1.233(4) 0.164(4) 0.076(12) Uiso 1 1 d . . .
H10C H 0.293(4) 1.320(4) 0.225(3) 0.076(11) Uiso 1 1 d . . .
H24A H 0.441(2) 1.565(2) 0.930(2) 0.025(6) Uiso 1 1 d . . .
H24B H 0.343(3) 1.450(2) 0.876(2) 0.033(7) Uiso 1 1 d . . .
H24C H 0.327(3) 1.533(3) 0.819(3) 0.040(8) Uiso 1 1 d . . .
H20A H 0.778(3) 1.292(3) 0.685(3) 0.043(8) Uiso 1 1 d . . .
H20B H 0.730(3) 1.326(3) 0.587(3) 0.056(9) Uiso 1 1 d . . .
H20C H 0.801(3) 1.425(3) 0.715(3) 0.065(10) Uiso 1 1 d . . .
H44A H 0.199(2) 0.951(2) 0.906(2) 0.024(6) Uiso 1 1 d . . .
H44B H 0.100(2) 0.839(2) 0.844(2) 0.024(6) Uiso 1 1 d . . .
H44C H 0.098(2) 0.924(2) 0.789(2) 0.030(7) Uiso 1 1 d . . .
H40A H 0.455(3) 0.597(2) 0.549(2) 0.032(7) Uiso 1 1 d . . .
H40B H 0.434(3) 0.553(2) 0.637(3) 0.037(7) Uiso 1 1 d . . .
H40C H 0.328(3) 0.519(3) 0.520(3) 0.045(8) Uiso 1 1 d . . .
H34A H 0.392(3) 1.203(2) 1.011(2) 0.029(7) Uiso 1 1 d . . .
H34B H 0.424(3) 1.097(3) 1.030(3) 0.042(8) Uiso 1 1 d . . .
H34C H 0.516(2) 1.224(2) 1.107(2) 0.028(6) Uiso 1 1 d . . .
H30A H 0.808(3) 1.008(3) 0.773(3) 0.050(9) Uiso 1 1 d . . .
H30B H 0.865(3) 1.134(3) 0.877(3) 0.049(9) Uiso 1 1 d . . .
H30C H 0.787(3) 1.114(3) 0.753(3) 0.049(9) Uiso 1 1 d . . .
F1 F 0.89354(13) 0.87708(11) 0.20652(13) 0.0342(3) Uani 1 1 d . . .
F2 F 0.73687(14) 0.71144(13) 0.09194(14) 0.0424(4) Uani 1 1 d . . .
F3 F 0.92002(17) 0.71076(15) 0.04904(16) 0.0559(5) Uani 1 1 d . . .
F4 F 0.91135(17) 0.70774(14) 0.21810(14) 0.0525(4) Uani 1 1 d . . .
B1 B 0.8665(2) 0.7521(2) 0.1416(2) 0.0236(5) Uani 1 1 d . . .
N1S N 0.05754(19) 0.60867(18) 0.83819(17) 0.0302(4) Uani 1 1 d . . .
C1S C 0.0959(2) 0.59701(19) 0.9185(2) 0.0245(5) Uani 1 1 d . . .
C2S C 0.1499(3) 0.5844(2) 1.0241(2) 0.0315(5) Uani 1 1 d . . .
H2SA H 0.240(3) 0.631(3) 1.068(3) 0.056(9) Uiso 1 1 d . . .
H2SB H 0.143(3) 0.501(3) 0.999(3) 0.057(9) Uiso 1 1 d . . .
H2SC H 0.096(3) 0.620(3) 1.083(3) 0.055(9) Uiso 1 1 d . . .
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'
B B 0.0090 0.0039 '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'
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
N31 Ag1 N21 157.89(6) 2_676 . ?
N31 Ag1 N11 113.39(6) 2_676 . ?
N21 Ag1 N11 79.92(6) . . ?
N31 Ag1 N41 81.09(6) 2_676 2_676 ?
N21 Ag1 N41 110.38(6) . 2_676 ?
N11 Ag1 N41 114.27(5) . 2_676 ?
C6 N1 C2 116.80(17) . . ?
C13 N12 N11 111.93(16) . . ?
C13 N12 C1 127.39(16) . . ?
N11 N12 C1 120.48(15) . . ?
C11 N11 N12 105.11(16) . . ?
C11 N11 Ag1 133.04(13) . . ?
N12 N11 Ag1 121.78(12) . . ?
C23 N22 N21 111.61(16) . . ?
C23 N22 C1 126.72(17) . . ?
N21 N22 C1 121.57(15) . . ?
C21 N21 N22 104.97(15) . . ?
C21 N21 Ag1 129.27(13) . . ?
N22 N21 Ag1 121.94(12) . . ?
C43 N42 N41 112.27(15) . . ?
C43 N42 C7 127.78(16) . . ?
N41 N42 C7 119.69(15) . . ?
C41 N41 N42 105.15(15) . . ?
C41 N41 Ag1 131.77(13) . 2_676 ?
N42 N41 Ag1 122.86(11) . 2_676 ?
C33 N32 N31 111.85(16) . . ?
C33 N32 C7 126.43(17) . . ?
N31 N32 C7 121.72(15) . . ?
C31 N31 N32 105.07(15) . . ?
C31 N31 Ag1 126.65(13) . 2_676 ?
N32 N31 Ag1 120.47(12) . 2_676 ?
N1 C2 C3 123.80(18) . . ?
N1 C2 C1 114.34(17) . . ?
C3 C2 C1 121.18(17) . . ?
C4 C3 C2 118.42(18) . . ?
C4 C3 H3 120.6(14) . . ?
C2 C3 H3 120.9(14) . . ?
C5 C4 C3 118.55(19) . . ?
C5 C4 H4 120.5(14) . . ?
C3 C4 H4 120.9(14) . . ?
C4 C5 C6 118.57(19) . . ?
C4 C5 H5 120.5(15) . . ?
C6 C5 H5 121.0(15) . . ?
N1 C6 C5 123.83(18) . . ?
N1 C6 C7 114.56(16) . . ?
C5 C6 C7 120.87(17) . . ?
N22 C1 N12 111.62(15) . . ?
N22 C1 C2 114.25(16) . . ?
N12 C1 C2 112.28(16) . . ?
N22 C1 H1 106.4(12) . . ?
N12 C1 H1 105.1(12) . . ?
C2 C1 H1 106.4(12) . . ?
N32 C7 N42 111.21(15) . . ?
N32 C7 C6 113.51(16) . . ?
N42 C7 C6 112.45(16) . . ?
N32 C7 H7 106.1(12) . . ?
N42 C7 H7 107.6(12) . . ?
C6 C7 H7 105.4(12) . . ?
N12 C13 C12 105.66(18) . . ?
N12 C13 C14 122.92(18) . . ?
C12 C13 C14 131.38(19) . . ?
C13 C12 C11 106.75(18) . . ?
C13 C12 H12 126.9(16) . . ?
C11 C12 H12 126.3(16) . . ?
N11 C11 C12 110.52(18) . . ?
N11 C11 C10 120.38(19) . . ?
C12 C11 C10 129.1(2) . . ?
N22 C23 C22 106.39(17) . . ?
N22 C23 C24 123.26(19) . . ?
C22 C23 C24 130.35(19) . . ?
C23 C22 C21 106.20(18) . . ?
C23 C22 H22 126.7(14) . . ?
C21 C22 H22 127.1(14) . . ?
N21 C21 C22 110.82(18) . . ?
N21 C21 C20 121.20(18) . . ?
C22 C21 C20 127.98(19) . . ?
N42 C43 C42 105.62(17) . . ?
N42 C43 C44 122.67(18) . . ?
C42 C43 C44 131.71(19) . . ?
C43 C42 C41 106.61(18) . . ?
C43 C42 H42 126.5(15) . . ?
C41 C42 H42 126.9(15) . . ?
N41 C41 C42 110.33(17) . . ?
N41 C41 C40 119.45(18) . . ?
C42 C41 C40 130.21(18) . . ?
N32 C33 C32 106.14(18) . . ?
N32 C33 C34 123.00(18) . . ?
C32 C33 C34 130.82(19) . . ?
C33 C32 C31 106.43(19) . . ?
C33 C32 H32 126.1(17) . . ?
C31 C32 H32 127.4(17) . . ?
N31 C31 C32 110.50(18) . . ?
N31 C31 C30 121.49(19) . . ?
C32 C31 C30 128.0(2) . . ?
C13 C14 H14A 112.1(15) . . ?
C13 C14 H14B 110.8(17) . . ?
H14A C14 H14B 105(2) . . ?
C13 C14 H14C 109.2(17) . . ?
H14A C14 H14C 109(2) . . ?
H14B C14 H14C 110(2) . . ?
C11 C10 H10A 112(2) . . ?
C11 C10 H10B 114(3) . . ?
H10A C10 H10B 115(3) . . ?
C11 C10 H10C 114(2) . . ?
H10A C10 H10C 104(3) . . ?
H10B C10 H10C 96(3) . . ?
C23 C24 H24A 108.1(15) . . ?
C23 C24 H24B 111.2(17) . . ?
H24A C24 H24B 109(2) . . ?
C23 C24 H24C 110.4(17) . . ?
H24A C24 H24C 109(2) . . ?
H24B C24 H24C 110(2) . . ?
C21 C20 H20A 111.6(17) . . ?
C21 C20 H20B 110(2) . . ?
H20A C20 H20B 107(3) . . ?
C21 C20 H20C 111(2) . . ?
H20A C20 H20C 107(3) . . ?
H20B C20 H20C 110(3) . . ?
C43 C44 H44A 109.2(15) . . ?
C43 C44 H44B 110.1(15) . . ?
H44A C44 H44B 105(2) . . ?
C43 C44 H44C 110.8(16) . . ?
H44A C44 H44C 110(2) . . ?
H44B C44 H44C 111(2) . . ?
C41 C40 H40A 111.5(15) . . ?
C41 C40 H40B 109.9(16) . . ?
H40A C40 H40B 106(2) . . ?
C41 C40 H40C 110.5(19) . . ?
H40A C40 H40C 107(2) . . ?
H40B C40 H40C 112(2) . . ?
C33 C34 H34A 112.9(16) . . ?
C33 C34 H34B 109.6(17) . . ?
H34A C34 H34B 108(2) . . ?
C33 C34 H34C 108.1(15) . . ?
H34A C34 H34C 108(2) . . ?
H34B C34 H34C 110(2) . . ?
C31 C30 H30A 110(2) . . ?
C31 C30 H30B 111.1(18) . . ?
H30A C30 H30B 107(3) . . ?
C31 C30 H30C 107.7(19) . . ?
H30A C30 H30C 110(3) . . ?
H30B C30 H30C 110(3) . . ?
F3 B1 F4 110.9(2) . . ?
F3 B1 F2 108.0(2) . . ?
F4 B1 F2 108.4(2) . . ?
F3 B1 F1 110.01(19) . . ?
F4 B1 F1 109.25(19) . . ?
F2 B1 F1 110.31(18) . . ?
N1S C1S C2S 178.0(3) . . ?
C1S C2S H2SA 111.3(19) . . ?
C1S C2S H2SB 109(2) . . ?
H2SA C2S H2SB 113(3) . . ?
C1S C2S H2SC 107.8(18) . . ?
H2SA C2S H2SC 108(3) . . ?
H2SB C2S H2SC 108(3) . . ?
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 N31 2.3002(16) 2_676 ?
Ag1 N21 2.3030(16) . ?
Ag1 N11 2.3855(17) . ?
Ag1 N41 2.3894(16) 2_676 ?
N1 C6 1.333(3) . ?
N1 C2 1.334(3) . ?
N12 C13 1.366(3) . ?
N12 N11 1.369(2) . ?
N12 C1 1.460(2) . ?
N11 C11 1.334(3) . ?
N22 C23 1.364(3) . ?
N22 N21 1.372(2) . ?
N22 C1 1.450(3) . ?
N21 C21 1.334(3) . ?
N42 C43 1.359(3) . ?
N42 N41 1.365(2) . ?
N42 C7 1.458(2) . ?
N41 C41 1.332(3) . ?
N41 Ag1 2.3894(16) 2_676 ?
N32 C33 1.362(3) . ?
N32 N31 1.367(2) . ?
N32 C7 1.441(3) . ?
N31 C31 1.333(3) . ?
N31 Ag1 2.3002(16) 2_676 ?
C2 C3 1.387(3) . ?
C2 C1 1.527(3) . ?
C3 C4 1.386(3) . ?
C3 H3 0.94(2) . ?
C4 C5 1.382(3) . ?
C4 H4 0.95(3) . ?
C5 C6 1.386(3) . ?
C5 H5 0.90(3) . ?
C6 C7 1.529(3) . ?
C1 H1 0.97(2) . ?
C7 H7 0.93(2) . ?
C13 C12 1.372(3) . ?
C13 C14 1.489(3) . ?
C12 C11 1.402(3) . ?
C12 H12 0.93(3) . ?
C11 C10 1.494(3) . ?
C23 C22 1.369(3) . ?
C23 C24 1.494(3) . ?
C22 C21 1.406(3) . ?
C22 H22 0.92(2) . ?
C21 C20 1.493(3) . ?
C43 C42 1.374(3) . ?
C43 C44 1.497(3) . ?
C42 C41 1.406(3) . ?
C42 H42 0.90(2) . ?
C41 C40 1.496(3) . ?
C33 C32 1.367(3) . ?
C33 C34 1.498(3) . ?
C32 C31 1.406(3) . ?
C32 H32 0.90(3) . ?
C31 C30 1.489(3) . ?
C14 H14A 0.98(3) . ?
C14 H14B 1.01(3) . ?
C14 H14C 0.98(3) . ?
C10 H10A 0.88(4) . ?
C10 H10B 0.85(4) . ?
C10 H10C 1.02(4) . ?
C24 H24A 0.94(3) . ?
C24 H24B 0.94(3) . ?
C24 H24C 0.97(3) . ?
C20 H20A 0.99(3) . ?
C20 H20B 0.93(4) . ?
C20 H20C 0.94(4) . ?
C44 H44A 0.94(3) . ?
C44 H44B 0.95(3) . ?
C44 H44C 0.95(3) . ?
C40 H40A 1.00(3) . ?
C40 H40B 0.96(3) . ?
C40 H40C 0.92(3) . ?
C34 H34A 0.92(3) . ?
C34 H34B 0.98(3) . ?
C34 H34C 0.98(3) . ?
C30 H30A 0.92(3) . ?
C30 H30B 0.96(3) . ?
C30 H30C 0.93(3) . ?
F1 B1 1.390(3) . ?
F2 B1 1.389(3) . ?
F3 B1 1.374(3) . ?
F4 B1 1.384(3) . ?
N1S C1S 1.123(3) . ?
C1S C2S 1.463(3) . ?
C2S H2SA 1.02(4) . ?
C2S H2SB 0.95(4) . ?
C2S H2SC 1.04(3) . ?
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
C13 N12 N11 C11 1.8(2) . . . . ?
C1 N12 N11 C11 177.16(17) . . . . ?
C13 N12 N11 Ag1 -175.46(12) . . . . ?
C1 N12 N11 Ag1 -0.2(2) . . . . ?
N31 Ag1 N11 C11 -49.17(19) 2_676 . . . ?
N21 Ag1 N11 C11 149.33(19) . . . . ?
N41 Ag1 N11 C11 41.4(2) 2_676 . . . ?
N31 Ag1 N11 N12 127.28(13) 2_676 . . . ?
N21 Ag1 N11 N12 -34.23(13) . . . . ?
N41 Ag1 N11 N12 -142.15(13) 2_676 . . . ?
C23 N22 N21 C21 -0.9(2) . . . . ?
C1 N22 N21 C21 175.70(16) . . . . ?
C23 N22 N21 Ag1 -160.78(12) . . . . ?
C1 N22 N21 Ag1 15.8(2) . . . . ?
N31 Ag1 N21 C21 102.5(2) 2_676 . . . ?
N11 Ag1 N21 C21 -128.20(17) . . . . ?
N41 Ag1 N21 C21 -15.91(18) 2_676 . . . ?
N31 Ag1 N21 N22 -102.97(18) 2_676 . . . ?
N11 Ag1 N21 N22 26.35(13) . . . . ?
N41 Ag1 N21 N22 138.64(13) 2_676 . . . ?
C43 N42 N41 C41 -1.4(2) . . . . ?
C7 N42 N41 C41 -175.94(16) . . . . ?
C43 N42 N41 Ag1 173.76(12) . . . 2_676 ?
C7 N42 N41 Ag1 -0.8(2) . . . 2_676 ?
C33 N32 N31 C31 -0.3(2) . . . . ?
C7 N32 N31 C31 -179.69(16) . . . . ?
C33 N32 N31 Ag1 150.81(13) . . . 2_676 ?
C7 N32 N31 Ag1 -28.6(2) . . . 2_676 ?
C6 N1 C2 C3 -0.9(3) . . . . ?
C6 N1 C2 C1 169.75(16) . . . . ?
N1 C2 C3 C4 -0.4(3) . . . . ?
C1 C2 C3 C4 -170.42(18) . . . . ?
C2 C3 C4 C5 1.1(3) . . . . ?
C3 C4 C5 C6 -0.6(3) . . . . ?
C2 N1 C6 C5 1.5(3) . . . . ?
C2 N1 C6 C7 -168.71(16) . . . . ?
C4 C5 C6 N1 -0.7(3) . . . . ?
C4 C5 C6 C7 168.86(18) . . . . ?
C23 N22 C1 N12 106.2(2) . . . . ?
N21 N22 C1 N12 -69.8(2) . . . . ?
C23 N22 C1 C2 -125.00(19) . . . . ?
N21 N22 C1 C2 58.9(2) . . . . ?
C13 N12 C1 N22 -126.68(19) . . . . ?
N11 N12 C1 N22 58.8(2) . . . . ?
C13 N12 C1 C2 103.5(2) . . . . ?
N11 N12 C1 C2 -71.0(2) . . . . ?
N1 C2 C1 N22 41.6(2) . . . . ?
C3 C2 C1 N22 -147.52(18) . . . . ?
N1 C2 C1 N12 169.98(16) . . . . ?
C3 C2 C1 N12 -19.1(2) . . . . ?
C33 N32 C7 N42 -102.2(2) . . . . ?
N31 N32 C7 N42 77.1(2) . . . . ?
C33 N32 C7 C6 129.84(19) . . . . ?
N31 N32 C7 C6 -50.9(2) . . . . ?
C43 N42 C7 N32 129.6(2) . . . . ?
N41 N42 C7 N32 -56.8(2) . . . . ?
C43 N42 C7 C6 -101.8(2) . . . . ?
N41 N42 C7 C6 71.8(2) . . . . ?
N1 C6 C7 N32 -43.5(2) . . . . ?
C5 C6 C7 N32 146.05(18) . . . . ?
N1 C6 C7 N42 -170.81(16) . . . . ?
C5 C6 C7 N42 18.7(2) . . . . ?
N11 N12 C13 C12 -2.0(2) . . . . ?
C1 N12 C13 C12 -176.91(18) . . . . ?
N11 N12 C13 C14 176.05(18) . . . . ?
C1 N12 C13 C14 1.1(3) . . . . ?
N12 C13 C12 C11 1.3(2) . . . . ?
C14 C13 C12 C11 -176.5(2) . . . . ?
N12 N11 C11 C12 -0.9(2) . . . . ?
Ag1 N11 C11 C12 175.92(14) . . . . ?
N12 N11 C11 C10 178.44(19) . . . . ?
Ag1 N11 C11 C10 -4.7(3) . . . . ?
C13 C12 C11 N11 -0.2(2) . . . . ?
C13 C12 C11 C10 -179.5(2) . . . . ?
N21 N22 C23 C22 0.7(2) . . . . ?
C1 N22 C23 C22 -175.71(17) . . . . ?
N21 N22 C23 C24 -179.26(18) . . . . ?
C1 N22 C23 C24 4.3(3) . . . . ?
N22 C23 C22 C21 -0.2(2) . . . . ?
C24 C23 C22 C21 179.8(2) . . . . ?
N22 N21 C21 C22 0.8(2) . . . . ?
Ag1 N21 C21 C22 158.61(14) . . . . ?
N22 N21 C21 C20 -179.50(18) . . . . ?
Ag1 N21 C21 C20 -21.7(3) . . . . ?
C23 C22 C21 N21 -0.4(2) . . . . ?
C23 C22 C21 C20 179.9(2) . . . . ?
N41 N42 C43 C42 1.0(2) . . . . ?
C7 N42 C43 C42 175.02(18) . . . . ?
N41 N42 C43 C44 -178.52(18) . . . . ?
C7 N42 C43 C44 -4.5(3) . . . . ?
N42 C43 C42 C41 -0.2(2) . . . . ?
C44 C43 C42 C41 179.3(2) . . . . ?
N42 N41 C41 C42 1.2(2) . . . . ?
Ag1 N41 C41 C42 -173.34(13) 2_676 . . . ?
N42 N41 C41 C40 -177.95(17) . . . . ?
Ag1 N41 C41 C40 7.5(3) 2_676 . . . ?
C43 C42 C41 N41 -0.6(2) . . . . ?
C43 C42 C41 C40 178.4(2) . . . . ?
N31 N32 C33 C32 0.8(2) . . . . ?
C7 N32 C33 C32 -179.86(17) . . . . ?
N31 N32 C33 C34 -176.89(18) . . . . ?
C7 N32 C33 C34 2.4(3) . . . . ?
N32 C33 C32 C31 -0.9(2) . . . . ?
C34 C33 C32 C31 176.5(2) . . . . ?
N32 N31 C31 C32 -0.3(2) . . . . ?
Ag1 N31 C31 C32 -149.04(14) 2_676 . . . ?
N32 N31 C31 C30 178.55(19) . . . . ?
Ag1 N31 C31 C30 29.8(3) 2_676 . . . ?
C33 C32 C31 N31 0.8(2) . . . . ?
C33 C32 C31 C30 -178.0(2) . . . . ?
