#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:35:37 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179068 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/30/4303047.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_4303047
loop_
_publ_author_name
'Brendan J. Liddle'
'Daniel Hall'
'Sergey V. Lindeman'
'Mark D. Smith'
'James R. Gardinier'
_publ_section_title
;
Manipulating Self-Assembly in Silver(I) Complexes of
1,3-Di-N-pyrazolylorganyls
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8404
_journal_page_last               8414
_journal_paper_doi               10.1021/ic900982m
_journal_volume                  48
_journal_year                    2009
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C15 H16 Ag N4, B F4'
_chemical_formula_sum            'C15 H16 Ag B F4 N4'
_chemical_formula_weight         447.00
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           144
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   9.2450(3)
_cell_length_b                   9.2450(3)
_cell_length_c                   17.4744(13)
_cell_measurement_reflns_used    3899
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      24.924
_cell_measurement_theta_min      2.544
_cell_volume                     1293.44(11)
_computing_cell_refinement       'SAINT+ NT V6.22 (Bruker, 2001)'
_computing_data_collection       'SMART NT V5.625 (Bruker, 1998)'
_computing_data_reduction        'SAINT+ NT V6.22'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(1)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_sigmaI/netI    0.0503
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9106
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         2.54
_exptl_absorpt_coefficient_mu    1.214
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.722
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bar
_exptl_crystal_F_000             666
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.854
_refine_diff_density_min         -0.271
_refine_diff_density_rms         0.067
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.05(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.934
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         3322
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.934
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0280P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0634
_refine_ls_wR_factor_ref         0.0643
_reflns_number_gt                3020
_reflns_number_total             3322
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900982m_si_001_5.cif
_cod_data_source_block           2b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4303047
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
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 0.10464(4) -0.03599(4) 0.499968(14) 0.04136(10) Uani 1 1 d . . .
C7 C -0.2145(5) -0.2245(6) 0.3753(3) 0.0394(11) Uani 1 1 d . . .
H7A H -0.2919 -0.2091 0.4089 0.047 Uiso 1 1 calc R . .
H7B H -0.2742 -0.2753 0.3269 0.047 Uiso 1 1 calc R . .
C6 C -0.0656(6) -0.0555(6) 0.3578(2) 0.0358(10) Uani 1 1 d . . .
C1 C 0.0663(5) -0.0335(5) 0.3121(3) 0.0326(10) Uani 1 1 d . . .
C2 C 0.1948(5) 0.1223(6) 0.2929(3) 0.0420(11) Uani 1 1 d . . .
H2 H 0.2839 0.1332 0.2617 0.050 Uiso 1 1 calc R . .
C3 C 0.1944(6) 0.2624(6) 0.3189(3) 0.0518(13) Uani 1 1 d . . .
H3 H 0.2819 0.3703 0.3048 0.062 Uiso 1 1 calc R . .
C4 C 0.0673(7) 0.2459(6) 0.3651(3) 0.0546(13) Uani 1 1 d . . .
H4 H 0.0674 0.3425 0.3838 0.065 Uiso 1 1 calc R . .
C5 C -0.0614(6) 0.0884(6) 0.3846(3) 0.0462(11) Uani 1 1 d . . .
H5 H -0.1485 0.0783 0.4170 0.055 Uiso 1 1 calc R . .
C23 C -0.2415(6) -0.5061(5) 0.4019(3) 0.0455(11) Uani 1 1 d . . .
C22 C -0.1850(6) -0.5635(5) 0.4597(3) 0.0460(11) Uani 1 1 d . . .
H22 H -0.2129 -0.6760 0.4681 0.055 Uiso 1 1 calc R . .
C21 C -0.0787(5) -0.4261(5) 0.5044(3) 0.0424(10) Uani 1 1 d . . .
C25 C -0.3586(7) -0.5978(7) 0.3383(3) 0.0717(17) Uani 1 1 d . . .
H25A H -0.4198 -0.7175 0.3499 0.108 Uiso 1 1 calc R . .
H25B H -0.2955 -0.5789 0.2907 0.108 Uiso 1 1 calc R . .
H25C H -0.4379 -0.5575 0.3322 0.108 Uiso 1 1 calc R . .
C24 C 0.0181(7) -0.4168(7) 0.5737(4) 0.0695(16) Uani 1 1 d . . .
H24A H 0.1245 -0.4075 0.5584 0.104 Uiso 1 1 calc R . .
H24B H -0.0459 -0.5180 0.6044 0.104 Uiso 1 1 calc R . .
H24C H 0.0399 -0.3188 0.6040 0.104 Uiso 1 1 calc R . .
C13 C 0.1370(5) -0.2635(6) 0.2974(3) 0.0429(10) Uani 1 1 d . . .
H13 H 0.2095 -0.2414 0.3398 0.051 Uiso 1 1 calc R . .
C12 C 0.0910(6) -0.3894(6) 0.2446(3) 0.0473(11) Uani 1 1 d . . .
H12 H 0.1249 -0.4708 0.2425 0.057 Uiso 1 1 calc R . .
C11 C -0.0158(6) -0.3712(6) 0.1953(3) 0.0511(12) Uani 1 1 d . . .
H11 H -0.0690 -0.4421 0.1528 0.061 Uiso 1 1 calc R . .
N21 N -0.0707(4) -0.2886(4) 0.4754(2) 0.0370(8) Uani 1 1 d . . .
N22 N -0.1717(4) -0.3398(4) 0.41222(19) 0.0348(8) Uani 1 1 d . . .
N11 N -0.0351(5) -0.2435(5) 0.2144(2) 0.0424(9) Uani 1 1 d . . .
N12 N 0.0612(4) -0.1780(4) 0.2781(2) 0.0345(8) Uani 1 1 d . . .
B1 B 0.4548(7) -0.0677(7) 0.4777(3) 0.0436(12) Uani 1 1 d . . .
F1 F 0.3973(4) 0.0173(4) 0.43196(16) 0.0623(7) Uani 1 1 d . . .
F2 F 0.3814(3) -0.0928(4) 0.54923(16) 0.0631(8) Uani 1 1 d . . .
F3 F 0.6237(3) 0.0279(4) 0.48650(18) 0.0725(9) Uani 1 1 d . . .
F4 F 0.4129(5) -0.2158(4) 0.4441(2) 0.0842(10) Uani 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 0.0033 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'
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
N21 Ag1 N11 166.29(13) . 2 ?
N21 Ag1 F1 104.53(11) . . ?
N11 Ag1 F1 87.83(12) 2 . ?
N21 Ag1 C6 70.43(13) . . ?
N11 Ag1 C6 114.94(13) 2 . ?
F1 Ag1 C6 95.47(11) . . ?
N21 Ag1 F2 96.62(11) . . ?
N11 Ag1 F2 87.63(12) 2 . ?
F1 Ag1 F2 46.10(7) . . ?
C6 Ag1 F2 136.31(10) . . ?
N21 Ag1 C5 91.69(13) . . ?
N11 Ag1 C5 90.51(13) 2 . ?
F1 Ag1 C5 106.14(10) . . ?
C6 Ag1 C5 26.69(12) . . ?
F2 Ag1 C5 152.22(10) . . ?
N22 C7 C6 113.9(3) . . ?
N22 C7 H7A 108.8 . . ?
C6 C7 H7A 108.8 . . ?
N22 C7 H7B 108.8 . . ?
C6 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
C1 C6 C5 116.9(4) . . ?
C1 C6 C7 123.3(4) . . ?
C5 C6 C7 119.8(4) . . ?
C1 C6 Ag1 94.3(2) . . ?
C5 C6 Ag1 84.1(3) . . ?
C7 C6 Ag1 94.4(3) . . ?
C2 C1 C6 122.0(4) . . ?
C2 C1 N12 118.8(4) . . ?
C6 C1 N12 118.9(4) . . ?
C1 C2 C3 120.0(5) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C4 C3 C2 119.7(4) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 120.0(4) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 121.4(4) . . ?
C4 C5 Ag1 103.1(3) . . ?
C6 C5 Ag1 69.2(3) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
Ag1 C5 H5 97.5 . . ?
N22 C23 C22 106.7(4) . . ?
N22 C23 C25 123.1(4) . . ?
C22 C23 C25 130.2(4) . . ?
C23 C22 C21 107.1(4) . . ?
C23 C22 H22 126.5 . . ?
C21 C22 H22 126.5 . . ?
N21 C21 C22 109.5(4) . . ?
N21 C21 C24 120.7(4) . . ?
C22 C21 C24 129.8(4) . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N12 C13 C12 107.4(4) . . ?
N12 C13 H13 126.3 . . ?
C12 C13 H13 126.3 . . ?
C13 C12 C11 104.6(4) . . ?
C13 C12 H12 127.7 . . ?
C11 C12 H12 127.7 . . ?
N11 C11 C12 112.1(4) . . ?
N11 C11 H11 124.0 . . ?
C12 C11 H11 124.0 . . ?
C21 N21 N22 105.9(3) . . ?
C21 N21 Ag1 128.4(3) . . ?
N22 N21 Ag1 124.0(2) . . ?
C23 N22 N21 110.9(3) . . ?
C23 N22 C7 128.6(4) . . ?
N21 N22 C7 119.4(3) . . ?
C11 N11 N12 104.6(4) . . ?
C11 N11 Ag1 138.3(3) . 3_554 ?
N12 N11 Ag1 116.4(3) . 3_554 ?
C13 N12 N11 111.3(3) . . ?
C13 N12 C1 131.3(4) . . ?
N11 N12 C1 117.4(3) . . ?
F4 B1 F3 111.1(4) . . ?
F4 B1 F2 110.6(4) . . ?
F3 B1 F2 108.3(4) . . ?
F4 B1 F1 108.8(4) . . ?
F3 B1 F1 109.5(4) . . ?
F2 B1 F1 108.5(4) . . ?
B1 F1 Ag1 105.5(3) . . ?
B1 F2 Ag1 95.8(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 N21 2.117(3) . ?
Ag1 N11 2.133(3) 2 ?
Ag1 F1 2.765(3) . ?
Ag1 C6 2.898(4) . ?
Ag1 F2 2.984(3) . ?
Ag1 C5 3.083(5) . ?
C7 N22 1.459(6) . ?
C7 C6 1.510(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C6 C1 1.386(5) . ?
C6 C5 1.392(6) . ?
C1 C2 1.373(6) . ?
C1 N12 1.441(5) . ?
C2 C3 1.374(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.371(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(7) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C23 N22 1.349(5) . ?
C23 C22 1.361(7) . ?
C23 C25 1.487(7) . ?
C22 C21 1.393(6) . ?
C22 H22 0.9500 . ?
C21 N21 1.335(5) . ?
C21 C24 1.483(7) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C13 N12 1.336(5) . ?
C13 C12 1.375(6) . ?
C13 H13 0.9500 . ?
C12 C11 1.382(6) . ?
C12 H12 0.9500 . ?
C11 N11 1.322(6) . ?
C11 H11 0.9500 . ?
N21 N22 1.369(5) . ?
N11 N12 1.364(5) . ?
N11 Ag1 2.133(3) 3_554 ?
B1 F4 1.357(6) . ?
B1 F3 1.364(6) . ?
B1 F2 1.385(6) . ?
B1 F1 1.399(6) . ?
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
N22 C7 C6 C1 58.4(5) . . . . ?
N22 C7 C6 C5 -125.3(5) . . . . ?
N22 C7 C6 Ag1 -39.6(4) . . . . ?
N21 Ag1 C6 C1 -102.4(3) . . . . ?
N11 Ag1 C6 C1 91.2(3) 2 . . . ?
F1 Ag1 C6 C1 1.1(3) . . . . ?
F2 Ag1 C6 C1 -23.7(3) . . . . ?
C5 Ag1 C6 C1 116.6(4) . . . . ?
N21 Ag1 C6 C5 141.0(3) . . . . ?
N11 Ag1 C6 C5 -25.4(3) 2 . . . ?
F1 Ag1 C6 C5 -115.5(3) . . . . ?
F2 Ag1 C6 C5 -140.3(3) . . . . ?
N21 Ag1 C6 C7 21.5(2) . . . . ?
N11 Ag1 C6 C7 -144.9(3) 2 . . . ?
F1 Ag1 C6 C7 125.0(3) . . . . ?
F2 Ag1 C6 C7 100.2(3) . . . . ?
C5 Ag1 C6 C7 -119.5(4) . . . . ?
C5 C6 C1 C2 -0.8(6) . . . . ?
C7 C6 C1 C2 175.5(5) . . . . ?
Ag1 C6 C1 C2 -86.4(4) . . . . ?
C5 C6 C1 N12 -175.2(5) . . . . ?
C7 C6 C1 N12 1.2(6) . . . . ?
Ag1 C6 C1 N12 99.3(4) . . . . ?
C6 C1 C2 C3 -0.4(7) . . . . ?
N12 C1 C2 C3 174.0(4) . . . . ?
C1 C2 C3 C4 1.3(8) . . . . ?
C2 C3 C4 C5 -0.9(8) . . . . ?
C3 C4 C5 C6 -0.4(8) . . . . ?
C3 C4 C5 Ag1 73.1(5) . . . . ?
C1 C6 C5 C4 1.3(7) . . . . ?
C7 C6 C5 C4 -175.3(4) . . . . ?
Ag1 C6 C5 C4 93.0(5) . . . . ?
C1 C6 C5 Ag1 -91.8(3) . . . . ?
C7 C6 C5 Ag1 91.7(4) . . . . ?
N21 Ag1 C5 C4 -155.3(3) . . . . ?
N11 Ag1 C5 C4 38.2(3) 2 . . . ?
F1 Ag1 C5 C4 -49.7(3) . . . . ?
C6 Ag1 C5 C4 -118.9(4) . . . . ?
F2 Ag1 C5 C4 -47.7(4) . . . . ?
N21 Ag1 C5 C6 -36.4(3) . . . . ?
N11 Ag1 C5 C6 157.1(3) 2 . . . ?
F1 Ag1 C5 C6 69.2(3) . . . . ?
F2 Ag1 C5 C6 71.2(4) . . . . ?
N22 C23 C22 C21 -0.4(5) . . . . ?
C25 C23 C22 C21 -179.4(5) . . . . ?
C23 C22 C21 N21 0.4(5) . . . . ?
C23 C22 C21 C24 -179.2(5) . . . . ?
N12 C13 C12 C11 -0.6(5) . . . . ?
C13 C12 C11 N11 0.6(6) . . . . ?
C22 C21 N21 N22 -0.3(5) . . . . ?
C24 C21 N21 N22 179.4(4) . . . . ?
C22 C21 N21 Ag1 -165.2(3) . . . . ?
C24 C21 N21 Ag1 14.4(6) . . . . ?
N11 Ag1 N21 C21 -82.1(7) 2 . . . ?
F1 Ag1 N21 C21 71.6(4) . . . . ?
C6 Ag1 N21 C21 162.3(4) . . . . ?
F2 Ag1 N21 C21 25.3(4) . . . . ?
C5 Ag1 N21 C21 178.8(4) . . . . ?
N11 Ag1 N21 N22 115.4(6) 2 . . . ?
F1 Ag1 N21 N22 -90.9(3) . . . . ?
C6 Ag1 N21 N22 -0.2(3) . . . . ?
F2 Ag1 N21 N22 -137.2(3) . . . . ?
C5 Ag1 N21 N22 16.3(3) . . . . ?
C22 C23 N22 N21 0.3(5) . . . . ?
C25 C23 N22 N21 179.4(4) . . . . ?
C22 C23 N22 C7 -167.3(4) . . . . ?
C25 C23 N22 C7 11.7(7) . . . . ?
C21 N21 N22 C23 0.0(4) . . . . ?
Ag1 N21 N22 C23 165.8(3) . . . . ?
C21 N21 N22 C7 168.9(3) . . . . ?
Ag1 N21 N22 C7 -25.3(4) . . . . ?
C6 C7 N22 C23 -142.7(4) . . . . ?
C6 C7 N22 N21 50.6(5) . . . . ?
C12 C11 N11 N12 -0.3(5) . . . . ?
C12 C11 N11 Ag1 169.2(4) . . . 3_554 ?
C12 C13 N12 N11 0.5(5) . . . . ?
C12 C13 N12 C1 -179.0(4) . . . . ?
C11 N11 N12 C13 -0.1(5) . . . . ?
Ag1 N11 N12 C13 -172.3(3) 3_554 . . . ?
C11 N11 N12 C1 179.4(4) . . . . ?
Ag1 N11 N12 C1 7.2(5) 3_554 . . . ?
C2 C1 N12 C13 83.9(6) . . . . ?
C6 C1 N12 C13 -101.6(5) . . . . ?
C2 C1 N12 N11 -95.6(5) . . . . ?
C6 C1 N12 N11 79.0(5) . . . . ?
F4 B1 F1 Ag1 100.1(4) . . . . ?
F3 B1 F1 Ag1 -138.4(3) . . . . ?
F2 B1 F1 Ag1 -20.4(4) . . . . ?
N21 Ag1 F1 B1 -72.9(3) . . . . ?
N11 Ag1 F1 B1 101.1(3) 2 . . . ?
C6 Ag1 F1 B1 -144.1(3) . . . . ?
F2 Ag1 F1 B1 12.3(3) . . . . ?
C5 Ag1 F1 B1 -169.0(3) . . . . ?
F4 B1 F2 Ag1 -101.1(4) . . . . ?
F3 B1 F2 Ag1 137.0(3) . . . . ?
F1 B1 F2 Ag1 18.2(4) . . . . ?
N21 Ag1 F2 B1 91.8(3) . . . . ?
N11 Ag1 F2 B1 -101.3(3) 2 . . . ?
F1 Ag1 F2 B1 -12.0(2) . . . . ?
C6 Ag1 F2 B1 23.3(3) . . . . ?
C5 Ag1 F2 B1 -14.7(4) . . . . ?
