#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:29:41 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179143 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/04/4310483.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_4310483
loop_
_publ_author_name
'Daniel L. Reger'
'Radu F. Semeniuc'
'Vitaly Rassolov'
'Mark D. Smith'
_publ_contact_author_address
;
Department of Chemistry and Biochemistry
University of South Carolina
Columbia, South Carolina 29208
USA
;
_publ_contact_author_email       reger@mail.chem.sc.edu
_publ_contact_author_fax         '1 803 777 9521'
_publ_contact_author_name        'Professor Daniel L. Reger'
_publ_contact_author_phone       '1 803 777 2587'
_publ_section_title
;
 Supramolecular Structural Variations with Changes in Anion and Solvent in
 Silver(I) Complexes of a Semirigid, Bitopic Tris(pyrazolyl)methane Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              537
_journal_page_last               554
_journal_paper_doi               10.1021/ic035207i
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety
; 
Ag2 (C30 H30 N12 O2) 2(C3 H6 O) (Sb F6)2 
;
_chemical_formula_sum            'C36 H42 Ag2 F12 N12 O4 Sb2'
_chemical_formula_weight         1394.06
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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            9
_cell_length_a                   31.3014(18)
_cell_length_b                   31.3014(18)
_cell_length_c                   12.7921(11)
_cell_measurement_reflns_used    6598
_cell_measurement_temperature    190(2)
_cell_measurement_theta_max      29.5
_cell_measurement_theta_min      2.254
_cell_volume                     10854.3(13)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.624 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.02a'
_computing_molecular_graphics    'SHELXTL V5.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      190(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0358
_diffrn_reflns_av_sigmaI/netI    0.0264
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            24083
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.25
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.005
_exptl_absorpt_correction_T_max  0.5839
_exptl_absorpt_correction_T_min  0.3958
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.919
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             6102
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.349
_refine_diff_density_min         -1.047
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         4922
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0591
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1290P)²+18.1206P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1794
_refine_ls_wR_factor_ref         0.1885
_reflns_number_gt                3890
_reflns_number_total             4922
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic035207isi20031021_053618_2.cif
_cod_data_source_block           2a
_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_original_cell_volume        10854.2(13)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               4310483
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -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
Ag Ag 0.132685(19) 0.538318(17) 0.14092(4) 0.0624(2) Uani 1 1 d . . .
C1 C 0.12263(17) 0.62202(15) 0.3043(4) 0.0353(10) Uani 1 1 d . . .
C11 C 0.0705(3) 0.5562(2) 0.4366(5) 0.0617(17) Uani 1 1 d . . .
H11 H 0.0664 0.5762 0.4870 0.074 Uiso 1 1 calc R . .
C12 C 0.0534(3) 0.5067(2) 0.4442(6) 0.075(2) Uani 1 1 d . . .
H12 H 0.0355 0.4855 0.5006 0.090 Uiso 1 1 calc R . .
C13 C 0.0677(2) 0.49418(19) 0.3517(5) 0.0566(15) Uani 1 1 d . . .
H13 H 0.0603 0.4617 0.3343 0.068 Uiso 1 1 calc R . .
C23 C 0.1025(2) 0.61448(19) 0.0333(4) 0.0494(12) Uani 1 1 d . . .
H23 H 0.1066 0.6061 -0.0359 0.059 Uiso 1 1 calc R . .
C22 C 0.0729(2) 0.63491(19) 0.0604(5) 0.0492(12) Uani 1 1 d . . .
H22 H 0.0537 0.6425 0.0147 0.059 Uiso 1 1 calc R . .
C21 C 0.07757(18) 0.64144(18) 0.1650(4) 0.0421(11) Uani 1 1 d . . .
H21 H 0.0620 0.6546 0.2076 0.051 Uiso 1 1 calc R . .
C33 C 0.2522(2) 0.6797(2) 0.2814(6) 0.0605(16) Uani 1 1 d . . .
H33 H 0.2835 0.7047 0.2569 0.073 Uiso 1 1 calc R . .
C32 C 0.2452(2) 0.6412(2) 0.3486(6) 0.0644(16) Uani 1 1 d . . .
H32 H 0.2698 0.6357 0.3786 0.077 Uiso 1 1 calc R . .
C31 C 0.1954(2) 0.6137(2) 0.3615(5) 0.0506(13) Uani 1 1 d . . .
H31 H 0.1784 0.5847 0.4026 0.061 Uiso 1 1 calc R . .
C2 C 0.11331(19) 0.65514(17) 0.3780(4) 0.0396(10) Uani 1 1 d . . .
H2A H 0.0774 0.6420 0.3848 0.048 Uiso 1 1 calc R . .
H2B H 0.1266 0.6551 0.4482 0.048 Uiso 1 1 calc R . .
C3 C 0.1274(2) 0.73387(17) 0.4130(4) 0.0436(11) Uani 1 1 d . . .
H3A H 0.1434 0.7351 0.4807 0.052 Uiso 1 1 calc R . .
H3B H 0.0916 0.7193 0.4252 0.052 Uiso 1 1 calc R . .
C4 C 0.14847(17) 0.78519(17) 0.3693(4) 0.0374(10) Uani 1 1 d . . .
C5 C 0.17161(19) 0.82479(17) 0.4390(4) 0.0386(10) Uani 1 1 d . . .
H5 H 0.1747 0.8191 0.5108 0.046 Uiso 1 1 calc R . .
C6 C 0.14312(18) 0.79354(17) 0.2656(4) 0.0386(10) Uani 1 1 d . . .
H6 H 0.1267 0.7664 0.2192 0.046 Uiso 1 1 calc R . .
O41 O 0.0980(3) 0.1807(3) 0.0194(6) 0.128(3) Uani 1 1 d . . .
C41 C 0.0930(5) 0.1652(4) 0.1154(14) 0.165(7) Uani 1 1 d D . .
C42 C 0.0632(8) 0.1753(7) 0.1765(15) 0.220(12) Uani 1 1 d D . .
H42A H 0.0821 0.2091 0.2030 0.330 Uiso 1 1 calc R . .
H42B H 0.0508 0.1522 0.2354 0.330 Uiso 1 1 calc R . .
H42C H 0.0353 0.1717 0.1348 0.330 Uiso 1 1 calc R . .
C43 C 0.1113(5) 0.1375(4) 0.1630(10) 0.121(4) Uani 1 1 d D . .
H43A H 0.1029 0.1337 0.2376 0.181 Uiso 1 1 calc R . .
H43B H 0.1472 0.1544 0.1548 0.181 Uiso 1 1 calc R . .
H43C H 0.0965 0.1049 0.1302 0.181 Uiso 1 1 calc R . .
N21 N 0.12392(17) 0.60852(15) 0.1166(4) 0.0466(10) Uani 1 1 d . . .
N22 N 0.10867(14) 0.62561(13) 0.1980(3) 0.0352(8) Uani 1 1 d . . .
N12 N 0.09410(15) 0.57132(14) 0.3447(3) 0.0393(9) Uani 1 1 d . . .
N11 N 0.09276(17) 0.53293(14) 0.2912(4) 0.0446(10) Uani 1 1 d . . .
N31 N 0.20955(16) 0.67649(16) 0.2563(4) 0.0482(11) Uani 1 1 d . . .
N32 N 0.17465(15) 0.63518(14) 0.3053(3) 0.0404(9) Uani 1 1 d . . .
O1 O 0.13600(13) 0.70367(11) 0.3395(3) 0.0393(7) Uani 1 1 d . . .
Sb1A Sb 0.05970(12) 0.66494(13) 0.7133(3) 0.1170(13) Uani 0.52 1 d P . .
Sb1B Sb 0.06240(9) 0.67096(9) 0.71915(18) 0.0415(4) Uani 0.35 1 d P . .
F1 F 0.0610(4) 0.7084(3) 0.8308(7) 0.164(4) Uani 0.87 1 d P . .
F2 F 0.0067(3) 0.6170(3) 0.7732(6) 0.132(3) Uani 0.87 1 d P . .
F3 F 0.0663(4) 0.6352(4) 0.6091(6) 0.162(4) Uani 0.87 1 d P . .
F4 F 0.1120(4) 0.7290(4) 0.6691(7) 0.245(8) Uani 0.87 1 d P . .
F5 F 0.1010(4) 0.6582(5) 0.8037(7) 0.185(4) Uani 0.87 1 d P . .
F6 F 0.0184(4) 0.6863(3) 0.6570(7) 0.158(3) Uani 0.87 1 d P . .
Sb2 Sb 0.0000 0.0000 0.0000 0.0501(3) Uani 0.78 6 d SP . .
F7 F -0.0097(10) 0.0514(7) 0.0361(14) 0.211(8) Uani 0.59 1 d P . .
F8 F 0.0000 0.0000 0.1406(11) 0.150(8) Uani 0.59 3 d SP . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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 Ag N11 143.25(18) 15 . ?
N31 Ag N21 116.27(16) 15 . ?
N11 Ag N21 82.20(15) . . ?
N22 C1 N32 108.8(4) . . ?
N22 C1 N12 111.6(4) . . ?
N32 C1 N12 106.8(4) . . ?
N22 C1 C2 111.0(4) . . ?
N32 C1 C2 111.4(4) . . ?
N12 C1 C2 107.2(4) . . ?
N12 C11 C12 107.3(6) . . ?
C11 C12 C13 105.1(6) . . ?
N11 C13 C12 111.6(5) . . ?
N21 C23 C22 111.1(5) . . ?
C21 C22 C23 105.5(5) . . ?
C22 C21 N22 107.1(5) . . ?
N31 C33 C32 111.3(5) . . ?
C31 C32 C33 104.8(5) . . ?
N32 C31 C32 107.7(5) . . ?
O1 C2 C1 110.5(4) . . ?
O1 C3 C4 109.3(4) . . ?
C6 C4 C5 120.2(4) . . ?
C6 C4 C3 122.0(4) . . ?
C5 C4 C3 117.7(5) . . ?
C4 C5 C6 119.0(5) . 16_565 ?
C4 C6 C5 120.7(4) . 16_565 ?
O41 C41 C42 115.0(12) . . ?
O41 C41 C43 129.3(15) . . ?
C42 C41 C43 115.6(16) . . ?
C23 N21 N22 105.1(4) . . ?
C23 N21 Ag 122.6(3) . . ?
N22 N21 Ag 119.3(3) . . ?
N21 N22 C21 111.1(4) . . ?
N21 N22 C1 120.6(4) . . ?
C21 N22 C1 128.1(4) . . ?
C11 N12 N11 111.0(4) . . ?
C11 N12 C1 128.2(4) . . ?
N11 N12 C1 120.6(4) . . ?
C13 N11 N12 105.0(4) . . ?
C13 N11 Ag 128.5(4) . . ?
N12 N11 Ag 126.2(3) . . ?
C33 N31 N32 105.0(5) . . ?
C33 N31 Ag 122.4(4) . 14_455 ?
N32 N31 Ag 129.9(3) . 14_455 ?
C31 N32 N31 111.1(4) . . ?
C31 N32 C1 127.4(4) . . ?
N31 N32 C1 121.0(4) . . ?
C2 O1 C3 108.6(3) . . ?
F3 Sb1A F2 101.3(5) . . ?
F3 Sb1A F5 98.4(5) . . ?
F2 Sb1A F5 92.6(5) . . ?
F3 Sb1A F6 100.9(5) . . ?
F2 Sb1A F6 87.0(5) . . ?
F5 Sb1A F6 160.4(5) . . ?
F3 Sb1A F4 93.9(5) . . ?
F2 Sb1A F4 163.6(6) . . ?
F5 Sb1A F4 91.4(6) . . ?
F6 Sb1A F4 84.0(6) . . ?
F3 Sb1A F1 171.9(5) . . ?
F2 Sb1A F1 86.7(4) . . ?
F5 Sb1A F1 80.1(5) . . ?
F6 Sb1A F1 80.3(5) . . ?
F4 Sb1A F1 78.3(5) . . ?
F5 Sb1B F4 95.8(6) . . ?
F5 Sb1B F3 93.9(5) . . ?
F4 Sb1B F3 93.2(5) . . ?
F5 Sb1B F6 168.8(5) . . ?
F4 Sb1B F6 87.9(6) . . ?
F3 Sb1B F6 96.5(5) . . ?
F5 Sb1B F2 90.2(5) . . ?
F4 Sb1B F2 171.2(6) . . ?
F3 Sb1B F2 92.8(4) . . ?
F6 Sb1B F2 85.0(5) . . ?
F5 Sb1B F1 84.7(5) . . ?
F4 Sb1B F1 85.3(5) . . ?
F3 Sb1B F1 177.8(5) . . ?
F6 Sb1B F1 85.0(5) . . ?
F2 Sb1B F1 88.9(4) . . ?
Sb1B F1 Sb1A 2.83(17) . . ?
Sb1A F2 Sb1B 5.0(2) . . ?
Sb1A F3 Sb1B 3.50(19) . . ?
Sb1B F4 Sb1A 4.19(19) . . ?
Sb1B F5 Sb1A 5.7(2) . . ?
Sb1B F6 Sb1A 5.50(19) . . ?
F8 Sb2 F8 180.0 . 10 ?
F8 Sb2 F7 104.5(5) . 12 ?
F8 Sb2 F7 75.5(5) 10 12 ?
F8 Sb2 F7 104.5(5) . 10 ?
F8 Sb2 F7 75.5(5) 10 10 ?
F7 Sb2 F7 113.9(4) 12 10 ?
F8 Sb2 F7 75.5(5) . 3 ?
F8 Sb2 F7 104.5(5) 10 3 ?
F7 Sb2 F7 180.0(16) 12 3 ?
F7 Sb2 F7 66.1(4) 10 3 ?
F8 Sb2 F7 104.5(5) . 11 ?
F8 Sb2 F7 75.5(5) 10 11 ?
F7 Sb2 F7 113.9(4) 12 11 ?
F7 Sb2 F7 113.9(4) 10 11 ?
F7 Sb2 F7 66.1(4) 3 11 ?
F8 Sb2 F7 75.5(5) . . ?
F8 Sb2 F7 104.5(5) 10 . ?
F7 Sb2 F7 66.1(4) 12 . ?
F7 Sb2 F7 180.0(17) 10 . ?
F7 Sb2 F7 113.9(4) 3 . ?
F7 Sb2 F7 66.1(4) 11 . ?
F8 Sb2 F7 75.5(5) . 2 ?
F8 Sb2 F7 104.5(5) 10 2 ?
F7 Sb2 F7 66.1(4) 12 2 ?
F7 Sb2 F7 66.1(4) 10 2 ?
F7 Sb2 F7 113.9(4) 3 2 ?
F7 Sb2 F7 180.0(12) 11 2 ?
F7 Sb2 F7 113.9(4) . 2 ?
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
Ag N31 2.189(5) 15 ?
Ag N11 2.253(4) . ?
Ag N21 2.367(4) . ?
C1 N22 1.450(6) . ?
C1 N32 1.467(6) . ?
C1 N12 1.472(6) . ?
C1 C2 1.533(6) . ?
C11 N12 1.343(7) . ?
C11 C12 1.365(8) . ?
C12 C13 1.390(9) . ?
C13 N11 1.317(7) . ?
C23 N21 1.320(8) . ?
C23 C22 1.407(8) . ?
C22 C21 1.350(8) . ?
C21 N22 1.362(6) . ?
C33 N31 1.329(7) . ?
C33 C32 1.404(9) . ?
C32 C31 1.362(9) . ?
C31 N32 1.351(7) . ?
C2 O1 1.406(5) . ?
C3 O1 1.450(6) . ?
C3 C4 1.506(7) . ?
C4 C6 1.378(7) . ?
C4 C5 1.400(7) . ?
C5 C6 1.408(7) 16_565 ?
C6 C5 1.408(7) 16_565 ?
O41 C41 1.301(16) . ?
C41 C42 1.368(14) . ?
C41 C43 1.395(12) . ?
N21 N22 1.362(6) . ?
N12 N11 1.365(5) . ?
N31 N32 1.359(6) . ?
N31 Ag 2.189(5) 14_455 ?
Sb1A F3 1.696(8) . ?
Sb1A F2 1.760(7) . ?
Sb1A F5 1.824(8) . ?
Sb1A F6 1.870(8) . ?
Sb1A F4 1.934(9) . ?
Sb1A F1 2.012(9) . ?
Sb1B F5 1.809(7) . ?
Sb1B F4 1.817(9) . ?
Sb1B F3 1.840(7) . ?
Sb1B F6 1.849(8) . ?
Sb1B F2 1.849(7) . ?
Sb1B F1 1.860(9) . ?
Sb2 F8 1.798(14) . ?
Sb2 F8 1.798(14) 10 ?
Sb2 F7 1.839(11) 12 ?
Sb2 F7 1.839(11) 10 ?
Sb2 F7 1.839(11) 3 ?
Sb2 F7 1.839(11) 11 ?
Sb2 F7 1.839(11) . ?
Sb2 F7 1.839(11) 2 ?
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
N12 C11 C12 C13 -0.8(9) . . . . ?
C11 C12 C13 N11 1.2(9) . . . . ?
N21 C23 C22 C21 0.4(6) . . . . ?
C23 C22 C21 N22 0.1(6) . . . . ?
N31 C33 C32 C31 1.2(8) . . . . ?
C33 C32 C31 N32 -0.4(7) . . . . ?
N22 C1 C2 O1 -52.8(5) . . . . ?
N32 C1 C2 O1 68.6(5) . . . . ?
N12 C1 C2 O1 -174.9(4) . . . . ?
O1 C3 C4 C6 42.0(7) . . . . ?
O1 C3 C4 C5 -141.5(4) . . . . ?
C6 C4 C5 C6 -1.4(8) . . . 16_565 ?
C3 C4 C5 C6 -178.0(4) . . . 16_565 ?
C5 C4 C6 C5 1.4(8) . . . 16_565 ?
C3 C4 C6 C5 177.8(5) . . . 16_565 ?
C22 C23 N21 N22 -0.7(6) . . . . ?
C22 C23 N21 Ag 140.2(4) . . . . ?
N31 Ag N21 C23 89.1(5) 15 . . . ?
N11 Ag N21 C23 -124.4(5) . . . . ?
N31 Ag N21 N22 -135.3(3) 15 . . . ?
N11 Ag N21 N22 11.2(4) . . . . ?
C23 N21 N22 C21 0.7(5) . . . . ?
Ag N21 N22 C21 -141.7(3) . . . . ?
C23 N21 N22 C1 176.2(4) . . . . ?
Ag N21 N22 C1 33.8(5) . . . . ?
C22 C21 N22 N21 -0.5(5) . . . . ?
C22 C21 N22 C1 -175.5(4) . . . . ?
N32 C1 N22 N21 42.1(5) . . . . ?
N12 C1 N22 N21 -75.5(5) . . . . ?
C2 C1 N22 N21 165.0(4) . . . . ?
N32 C1 N22 C21 -143.3(4) . . . . ?
N12 C1 N22 C21 99.0(5) . . . . ?
C2 C1 N22 C21 -20.4(6) . . . . ?
C12 C11 N12 N11 0.3(8) . . . . ?
C12 C11 N12 C1 -174.1(6) . . . . ?
N22 C1 N12 C11 -131.8(6) . . . . ?
N32 C1 N12 C11 109.4(6) . . . . ?
C2 C1 N12 C11 -10.0(7) . . . . ?
N22 C1 N12 N11 54.3(6) . . . . ?
N32 C1 N12 N11 -64.5(6) . . . . ?
C2 C1 N12 N11 176.0(4) . . . . ?
C12 C13 N11 N12 -1.0(7) . . . . ?
C12 C13 N11 Ag 172.7(5) . . . . ?
C11 N12 N11 C13 0.4(7) . . . . ?
C1 N12 N11 C13 175.3(5) . . . . ?
C11 N12 N11 Ag -173.5(4) . . . . ?
C1 N12 N11 Ag 1.4(6) . . . . ?
N31 Ag N11 C13 -76.5(6) 15 . . . ?
N21 Ag N11 C13 159.3(5) . . . . ?
N31 Ag N11 N12 96.0(4) 15 . . . ?
N21 Ag N11 N12 -28.3(4) . . . . ?
C32 C33 N31 N32 -1.5(7) . . . . ?
C32 C33 N31 Ag 161.8(5) . . . 14_455 ?
C32 C31 N32 N31 -0.6(7) . . . . ?
C32 C31 N32 C1 -172.7(5) . . . . ?
C33 N31 N32 C31 1.3(6) . . . . ?
Ag N31 N32 C31 -160.3(4) 14_455 . . . ?
C33 N31 N32 C1 174.0(5) . . . . ?
Ag N31 N32 C1 12.4(7) 14_455 . . . ?
N22 C1 N32 C31 -140.5(5) . . . . ?
N12 C1 N32 C31 -19.9(7) . . . . ?
C2 C1 N32 C31 96.9(6) . . . . ?
N22 C1 N32 N31 48.1(5) . . . . ?
N12 C1 N32 N31 168.7(4) . . . . ?
C2 C1 N32 N31 -74.5(6) . . . . ?
C1 C2 O1 C3 -178.4(4) . . . . ?
C4 C3 O1 C2 -176.1(4) . . . . ?
F5 Sb1B F1 Sb1A -86(3) . . . . ?
F4 Sb1B F1 Sb1A 178(100) . . . . ?
F3 Sb1B F1 Sb1A -137(14) . . . . ?
F6 Sb1B F1 Sb1A 90(3) . . . . ?
F2 Sb1B F1 Sb1A 5(3) . . . . ?
F3 Sb1A F1 Sb1B 12(4) . . . . ?
F2 Sb1A F1 Sb1B -175(3) . . . . ?
F5 Sb1A F1 Sb1B 92(3) . . . . ?
F6 Sb1A F1 Sb1B -88(3) . . . . ?
F4 Sb1A F1 Sb1B -2(3) . . . . ?
F3 Sb1A F2 Sb1B -178(100) . . . . ?
F5 Sb1A F2 Sb1B 82.8(19) . . . . ?
F6 Sb1A F2 Sb1B -77.6(19) . . . . ?
F4 Sb1A F2 Sb1B -21(2) . . . . ?
F1 Sb1A F2 Sb1B 2.8(19) . . . . ?
F5 Sb1B F2 Sb1A -92.2(19) . . . . ?
F4 Sb1B F2 Sb1A 135(4) . . . . ?
F3 Sb1B F2 Sb1A 1.7(19) . . . . ?
F6 Sb1B F2 Sb1A 98.0(19) . . . . ?
F1 Sb1B F2 Sb1A -177(2) . . . . ?
F2 Sb1A F3 Sb1B 177(100) . . . . ?
F5 Sb1A F3 Sb1B -88(3) . . . . ?
F6 Sb1A F3 Sb1B 88(3) . . . . ?
F4 Sb1A F3 Sb1B 4(3) . . . . ?
F1 Sb1A F3 Sb1B -9(4) . . . . ?
F5 Sb1B F3 Sb1A 88(3) . . . . ?
F4 Sb1B F3 Sb1A -176(3) . . . . ?
F6 Sb1B F3 Sb1A -88(3) . . . . ?
F2 Sb1B F3 Sb1A -3(3) . . . . ?
F1 Sb1B F3 Sb1A 139(13) . . . . ?
F5 Sb1B F4 Sb1A 97(2) . . . . ?
F3 Sb1B F4 Sb1A 3(2) . . . . ?
F6 Sb1B F4 Sb1A -94(2) . . . . ?
F2 Sb1B F4 Sb1A -130(4) . . . . ?
F1 Sb1B F4 Sb1A -179(100) . . . . ?
F3 Sb1A F4 Sb1B -177(2) . . . . ?
F2 Sb1A F4 Sb1B 26(2) . . . . ?
F5 Sb1A F4 Sb1B -78(2) . . . . ?
F6 Sb1A F4 Sb1B 83(2) . . . . ?
F1 Sb1A F4 Sb1B 1(2) . . . . ?
F4 Sb1B F5 Sb1A -128.8(19) . . . . ?
F3 Sb1B F5 Sb1A -35.2(18) . . . . ?
F6 Sb1B F5 Sb1A 122(3) . . . . ?
F2 Sb1B F5 Sb1A 57.7(18) . . . . ?
F1 Sb1B F5 Sb1A 146.5(19) . . . . ?
F3 Sb1A F5 Sb1B 140.9(19) . . . . ?
F2 Sb1A F5 Sb1B -117.3(19) . . . . ?
F6 Sb1A F5 Sb1B -29(2) . . . . ?
F4 Sb1A F5 Sb1B 46.8(18) . . . . ?
F1 Sb1A F5 Sb1B -31.0(18) . . . . ?
F5 Sb1B F6 Sb1A -122(3) . . . . ?
F4 Sb1B F6 Sb1A 128.2(18) . . . . ?
F3 Sb1B F6 Sb1A 35.3(17) . . . . ?
F2 Sb1B F6 Sb1A -57.0(18) . . . . ?
F1 Sb1B F6 Sb1A -146.3(18) . . . . ?
F3 Sb1A F6 Sb1B -140.7(19) . . . . ?
F2 Sb1A F6 Sb1B 118.4(19) . . . . ?
F5 Sb1A F6 Sb1B 29(2) . . . . ?
F4 Sb1A F6 Sb1B -47.9(17) . . . . ?
F1 Sb1A F6 Sb1B 31.2(17) . . . . ?
