#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:13:36 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179832 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/28/7012823.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_7012823
loop_
_publ_author_name
'Reger, Daniel L.'
'Gardinier, James R.'
'Semeniuc, Radu F.'
'Smith, Mark D.'
_publ_section_title
;
 Silver complexes of 1,1',3,3'-tetrakis(pyrazol-1-yl)propane: the
 “quadruple pyrazolyl embrace” as a supramolecular
 synthonElectronic supplementary information (ESI) available: two
 possible representations of the coordination sphere about Ag(2a) in
 2·CH3CN. See http://www.rsc.org/suppdata/dt/b3/b301635h/
;
_journal_issue                   9
_journal_name_full               'Dalton Transactions'
_journal_page_first              1712
_journal_paper_doi               10.1039/b301635h
_journal_year                    2003
_chemical_formula_sum            'C36 H41 Ag3 N22 O9'
_chemical_formula_weight         1249.52
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 94.9640(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.7230(15)
_cell_length_b                   14.9693(10)
_cell_length_c                   14.8892(10)
_cell_measurement_reflns_used    6032
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      25.022
_cell_measurement_theta_min      2.232
_cell_volume                     4823.5(6)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.625 (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      150.0(2)
_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         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16502
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.65
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    1.281
_exptl_absorpt_correction_T_max  0.5816
_exptl_absorpt_correction_T_min  0.3502
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.718
_refine_diff_density_min         -0.963
_refine_diff_density_rms         0.071
_refine_ls_extinction_coef       0.00033(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         4259
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0374
_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)+(0.0544P)²+5.5958P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.0987
_reflns_number_gt                3561
_reflns_number_total             4259
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b301635h.txt
_cod_data_source_block           jg143iis
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      C2/c
_cod_database_code               7012823
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.5000 0.45917(3) 0.7500 0.04567(16) Uani 1 2 d S . .
Ag2 Ag 0.685223(18) 0.12524(2) 0.63386(3) 0.07021(17) Uani 1 1 d . . .
C1 C 0.62215(14) 0.3988(2) 0.63445(19) 0.0272(6) Uani 1 1 d . . .
H1 H 0.6568 0.3876 0.5959 0.033 Uiso 1 1 calc R . .
C2 C 0.62359(14) 0.3239(2) 0.7040(2) 0.0290(7) Uani 1 1 d . . .
H2A H 0.5894 0.3332 0.7429 0.035 Uiso 1 1 calc R . .
H2B H 0.6162 0.2663 0.6723 0.035 Uiso 1 1 calc R . .
C3 C 0.68399(14) 0.3180(2) 0.7633(2) 0.0309(7) Uani 1 1 d . . .
H3 H 0.6875 0.3725 0.8022 0.037 Uiso 1 1 calc R . .
C11 C 0.55909(18) 0.3904(2) 0.4852(2) 0.0398(8) Uani 1 1 d . . .
H11 H 0.5917 0.3924 0.4467 0.048 Uiso 1 1 calc R . .
C12 C 0.4984(2) 0.3830(2) 0.4589(3) 0.0497(10) Uani 1 1 d . . .
H12 H 0.4796 0.3786 0.3990 0.060 Uiso 1 1 calc R . .
C13 C 0.46890(18) 0.3833(2) 0.5389(3) 0.0446(9) Uani 1 1 d . . .
H13 H 0.4254 0.3796 0.5416 0.053 Uiso 1 1 calc R . .
C21 C 0.67516(16) 0.5469(2) 0.6554(2) 0.0398(8) Uani 1 1 d . . .
H21 H 0.7064 0.5382 0.6154 0.048 Uiso 1 1 calc R . .
C22 C 0.66606(19) 0.6222(2) 0.7036(2) 0.0471(10) Uani 1 1 d . . .
H22 H 0.6893 0.6760 0.7045 0.057 Uiso 1 1 calc R . .
C23 C 0.61535(16) 0.6033(2) 0.7515(2) 0.0340(7) Uani 1 1 d . . .
H23 H 0.5981 0.6438 0.7915 0.041 Uiso 1 1 calc R . .
C31 C 0.68934(17) 0.2391(3) 0.9133(2) 0.0463(9) Uani 1 1 d . A .
H31 H 0.6977 0.2891 0.9516 0.056 Uiso 1 1 calc R . .
C32 C 0.6819(2) 0.1522(3) 0.9398(3) 0.0594(12) Uani 1 1 d . A .
H32 H 0.6841 0.1296 0.9996 0.071 Uiso 1 1 calc R . .
C33 C 0.67046(18) 0.1049(3) 0.8605(3) 0.0535(11) Uani 1 1 d . . .
H33 H 0.6633 0.0423 0.8579 0.064 Uiso 1 1 calc R A .
C41 C 0.79129(16) 0.3614(2) 0.7275(2) 0.0390(8) Uani 1 1 d . A .
H41 H 0.8008 0.4028 0.7752 0.047 Uiso 1 1 calc R . .
C42 C 0.82878(16) 0.3373(3) 0.6623(2) 0.0439(9) Uani 1 1 d . A .
H42 H 0.8693 0.3583 0.6551 0.053 Uiso 1 1 calc R . .
C43 C 0.79482(17) 0.2754(2) 0.6087(2) 0.0413(8) Uani 1 1 d . . .
H43 H 0.8095 0.2466 0.5578 0.050 Uiso 1 1 calc R A .
N11 N 0.50963(12) 0.38934(18) 0.61093(19) 0.0357(6) Uani 1 1 d . . .
N12 N 0.56531(12) 0.39464(16) 0.57609(16) 0.0286(6) Uani 1 1 d . . .
N21 N 0.59402(11) 0.52101(17) 0.73398(16) 0.0279(6) Uani 1 1 d . . .
N22 N 0.63199(11) 0.48709(17) 0.67429(15) 0.0254(5) Uani 1 1 d . . .
N31 N 0.67065(14) 0.1572(2) 0.7877(2) 0.0442(7) Uani 1 1 d . . .
N32 N 0.68255(12) 0.23971(19) 0.82243(18) 0.0353(6) Uani 1 1 d . . .
N41 N 0.73929(13) 0.26122(19) 0.63739(17) 0.0366(7) Uani 1 1 d . . .
N42 N 0.73806(12) 0.31496(17) 0.71098(17) 0.0316(6) Uani 1 1 d . . .
N1 N 0.78523(16) 0.0082(2) 0.56957(19) 0.0482(8) Uani 1 1 d . . .
O1 O 0.74777(19) -0.0065(2) 0.6275(2) 0.0848(12) Uani 1 1 d . . .
O2 O 0.78023(14) 0.07787(18) 0.52451(18) 0.0595(8) Uani 1 1 d . . .
O3 O 0.82625(15) -0.04669(19) 0.55827(19) 0.0613(8) Uani 1 1 d . . .
N2 N 0.5931(4) 0.0765(7) 0.5087(6) 0.063(2) Uani 0.50 1 d P A 1
O4 O 0.6251(3) 0.0252(4) 0.5605(6) 0.079(2) Uani 0.50 1 d P A 1
O5 O 0.5966(10) 0.1554(14) 0.5224(14) 0.075(5) Uani 0.50 1 d P A 1
O6 O 0.5617(4) 0.0440(5) 0.4421(5) 0.086(2) Uani 0.50 1 d P A 1
N51 N 0.5846(11) 0.137(2) 0.5387(17) 0.081(7) Uani 0.50 1 d P A 2
C51 C 0.5386(5) 0.1339(7) 0.5036(7) 0.066(3) Uani 0.50 1 d P A 2
C52 C 0.4751(5) 0.1371(8) 0.4585(9) 0.089(3) Uani 0.50 1 d P A 2
H52A H 0.4500 0.1784 0.4910 0.133 Uiso 0.50 1 calc PR A 2
H52B H 0.4568 0.0773 0.4585 0.133 Uiso 0.50 1 calc PR A 2
H52C H 0.4766 0.1577 0.3963 0.133 Uiso 0.50 1 calc PR A 2
N61 N 0.5000 0.2295(4) 0.2500 0.0856(18) Uani 1 2 d SD . 3
C61 C 0.4764(5) 0.2031(7) 0.3137(7) 0.072(3) Uani 0.50 1 d PD B 3
C62 C 0.4452(6) 0.1704(8) 0.3896(7) 0.087(3) Uani 0.50 1 d PD B 3
H62A H 0.4731 0.1750 0.4448 0.130 Uiso 0.50 1 calc PR B 3
H62B H 0.4333 0.1079 0.3792 0.130 Uiso 0.50 1 calc PR B 3
H62C H 0.4082 0.2064 0.3960 0.130 Uiso 0.50 1 calc PR B 3
N81 N 0.5421(8) 1.0086(10) 0.2984(11) 0.075 Uiso 0.25 1 d PD C 4
C81 C 0.5156(9) 0.9401(11) 0.3048(14) 0.075 Uiso 0.25 1 d PD . 4
C82 C 0.5049(10) 0.8468(10) 0.3258(14) 0.075 Uiso 0.25 1 d PD D 4
N82 N 0.4990(8) 0.8754(10) 0.2795(10) 0.075 Uiso 0.25 1 d PD . 5
C83 C 0.5194(7) 0.9442(11) 0.2555(16) 0.075 Uiso 0.25 1 d PD . 5
C84 C 0.5661(8) 1.0071(12) 0.2306(14) 0.075 Uiso 0.25 1 d PD E 5
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'
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 N21 131.95(13) . 2_656 ?
N21 Ag1 N11 86.52(9) . . ?
N21 Ag1 N11 115.07(9) 2_656 . ?
N21 Ag1 N11 115.07(9) . 2_656 ?
N21 Ag1 N11 86.52(9) 2_656 2_656 ?
N11 Ag1 N11 127.06(14) . 2_656 ?
O4 Ag2 N41 150.5(2) . . ?
O4 Ag2 N31 119.2(2) . . ?
N41 Ag2 N31 84.98(10) . . ?
O4 Ag2 O1 74.7(2) . . ?
N41 Ag2 O1 115.41(12) . . ?
N31 Ag2 O1 108.96(10) . . ?
O4 Ag2 O5 53.1(5) . . ?
N41 Ag2 O5 102.4(4) . . ?
N31 Ag2 O5 116.5(4) . . ?
O1 Ag2 O5 122.3(5) . . ?
O4 Ag2 N51 46.9(8) . . ?
N41 Ag2 N51 111.4(7) . . ?
N31 Ag2 N51 110.3(7) . . ?
O1 Ag2 N51 120.1(8) . . ?
O5 Ag2 N51 10.7(8) . . ?
N12 C1 N22 111.7(2) . . ?
N12 C1 C2 110.0(2) . . ?
N22 C1 C2 113.4(2) . . ?
C3 C2 C1 113.8(2) . . ?
N42 C3 N32 110.7(2) . . ?
N42 C3 C2 112.7(2) . . ?
N32 C3 C2 109.4(3) . . ?
C12 C11 N12 107.8(3) . . ?
C11 C12 C13 105.1(3) . . ?
N11 C13 C12 111.4(3) . . ?
N22 C21 C22 107.8(3) . . ?
C21 C22 C23 105.1(3) . . ?
N21 C23 C22 111.4(3) . . ?
N32 C31 C32 106.8(4) . . ?
C31 C32 C33 104.9(3) . . ?
N31 C33 C32 112.3(4) . . ?
N42 C41 C42 106.6(3) . . ?
C41 C42 C43 105.3(3) . . ?
N41 C43 C42 111.9(3) . . ?
C13 N11 N12 104.3(3) . . ?
C13 N11 Ag1 129.6(2) . . ?
N12 N11 Ag1 117.48(19) . . ?
C11 N12 N11 111.4(3) . . ?
C11 N12 C1 127.6(3) . . ?
N11 N12 C1 120.9(2) . . ?
C23 N21 N22 104.6(2) . . ?
C23 N21 Ag1 131.0(2) . . ?
N22 N21 Ag1 121.13(18) . . ?
C21 N22 N21 111.2(3) . . ?
C21 N22 C1 126.9(3) . . ?
N21 N22 C1 121.9(2) . . ?
C33 N31 N32 103.8(3) . . ?
C33 N31 Ag2 132.1(3) . . ?
N32 N31 Ag2 120.76(19) . . ?
C31 N32 N31 112.1(3) . . ?
C31 N32 C3 127.0(3) . . ?
N31 N32 C3 120.8(3) . . ?
C43 N41 N42 104.2(3) . . ?
C43 N41 Ag2 126.6(2) . . ?
N42 N41 Ag2 119.05(18) . . ?
C41 N42 N41 112.0(3) . . ?
C41 N42 C3 126.8(3) . . ?
N41 N42 C3 121.2(3) . . ?
O3 N1 O2 121.1(3) . . ?
O3 N1 O1 119.7(3) . . ?
O2 N1 O1 119.2(3) . . ?
N1 O1 Ag2 106.6(2) . . ?
O5 N2 O6 122.6(14) . . ?
O5 N2 O4 118.3(13) . . ?
O6 N2 O4 119.0(10) . . ?
N2 O4 Ag2 99.3(6) . . ?
N2 O5 Ag2 88.2(13) . . ?
C51 N51 Ag2 172(2) . . ?
N51 C51 C52 176(2) . . ?
C61 N61 C61 140.9(12) 2_655 . ?
N61 C61 C62 177.8(10) . . ?
N81 C81 C82 159.6(18) . . ?
N81 C81 C81 94.5(15) . 2_655 ?
C82 C81 C81 98.5(11) . 2_655 ?
N82 N82 C83 69.5(15) 2_655 . ?
N82 N82 C83 67.2(13) 2_655 2_655 ?
C83 N82 C83 41.3(16) . 2_655 ?
C83 C83 N82 70.5(14) 2_655 . ?
C83 C83 N82 68.2(15) 2_655 2_655 ?
N82 C83 N82 43.3(15) . 2_655 ?
C83 C83 C84 131(2) 2_655 . ?
N82 C83 C84 157.5(16) . . ?
N82 C83 C84 131(2) 2_655 . ?
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 2.274(2) . ?
Ag1 N21 2.274(2) 2_656 ?
Ag1 N11 2.345(3) . ?
Ag1 N11 2.345(3) 2_656 ?
Ag2 O4 2.213(6) . ?
Ag2 N41 2.348(3) . ?
Ag2 N31 2.388(3) . ?
Ag2 O1 2.401(3) . ?
Ag2 O5 2.47(2) . ?
Ag2 N51 2.51(2) . ?
C1 N12 1.448(4) . ?
C1 N22 1.457(4) . ?
C1 C2 1.525(4) . ?
C2 C3 1.519(4) . ?
C3 N42 1.465(4) . ?
C3 N32 1.468(4) . ?
C11 C12 1.348(6) . ?
C11 N12 1.349(4) . ?
C12 C13 1.400(6) . ?
C13 N11 1.333(4) . ?
C21 N22 1.344(4) . ?
C21 C22 1.359(5) . ?
C22 C23 1.391(5) . ?
C23 N21 1.333(4) . ?
C31 N32 1.348(4) . ?
C31 C32 1.372(6) . ?
C32 C33 1.381(6) . ?
C33 N31 1.337(5) . ?
C41 N42 1.354(4) . ?
C41 C42 1.369(5) . ?
C42 C43 1.392(5) . ?
C43 N41 1.331(4) . ?
N11 N12 1.359(4) . ?
N21 N22 1.362(3) . ?
N31 N32 1.355(4) . ?
N41 N42 1.361(4) . ?
N1 O3 1.234(4) . ?
N1 O2 1.240(4) . ?
N1 O1 1.255(4) . ?
N2 O5 1.20(3) . ?
N2 O6 1.253(11) . ?
N2 O4 1.254(11) . ?
N51 C51 1.09(3) . ?
C51 C52 1.481(16) . ?
N61 C61 1.185(10) 2_655 ?
N61 C61 1.185(10) . ?
C61 C62 1.451(12) . ?
N81 C81 1.183(11) . ?
C81 C82 1.454(13) . ?
C81 C81 1.71(4) 2_655 ?
N82 N82 0.88(3) 2_655 ?
N82 C83 1.188(11) . ?
N82 C83 1.21(2) 2_655 ?
C83 C83 0.85(3) 2_655 ?
C83 N82 1.21(2) 2_655 ?
C83 C84 1.455(13) . ?
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 C1 C2 C3 175.0(2) . . . . ?
N22 C1 C2 C3 -59.0(3) . . . . ?
C1 C2 C3 N42 -51.7(3) . . . . ?
C1 C2 C3 N32 -175.3(2) . . . . ?
N12 C11 C12 C13 0.1(4) . . . . ?
C11 C12 C13 N11 -0.8(4) . . . . ?
N22 C21 C22 C23 -0.1(4) . . . . ?
C21 C22 C23 N21 -0.1(4) . . . . ?
N32 C31 C32 C33 -0.2(4) . . . . ?
C31 C32 C33 N31 0.1(5) . . . . ?
N42 C41 C42 C43 -0.2(4) . . . . ?
C41 C42 C43 N41 0.3(4) . . . . ?
C12 C13 N11 N12 1.1(4) . . . . ?
C12 C13 N11 Ag1 147.1(3) . . . . ?
N21 Ag1 N11 C13 -132.7(3) . . . . ?
N21 Ag1 N11 C13 2.6(3) 2_656 . . . ?
N11 Ag1 N11 C13 108.2(3) 2_656 . . . ?
N21 Ag1 N11 N12 9.7(2) . . . . ?
N21 Ag1 N11 N12 145.0(2) 2_656 . . . ?
N11 Ag1 N11 N12 -109.4(2) 2_656 . . . ?
C12 C11 N12 N11 0.5(4) . . . . ?
C12 C11 N12 C1 176.9(3) . . . . ?
C13 N11 N12 C11 -1.0(3) . . . . ?
Ag1 N11 N12 C11 -151.9(2) . . . . ?
C13 N11 N12 C1 -177.7(3) . . . . ?
Ag1 N11 N12 C1 31.4(3) . . . . ?
N22 C1 N12 C11 107.6(3) . . . . ?
C2 C1 N12 C11 -125.5(3) . . . . ?
N22 C1 N12 N11 -76.3(3) . . . . ?
C2 C1 N12 N11 50.6(3) . . . . ?
C22 C23 N21 N22 0.2(4) . . . . ?
C22 C23 N21 Ag1 -158.8(2) . . . . ?
N21 Ag1 N21 C23 17.8(2) 2_656 . . . ?
N11 Ag1 N21 C23 138.9(3) . . . . ?
N11 Ag1 N21 C23 -91.5(3) 2_656 . . . ?
N21 Ag1 N21 N22 -138.2(2) 2_656 . . . ?
N11 Ag1 N21 N22 -17.2(2) . . . . ?
N11 Ag1 N21 N22 112.5(2) 2_656 . . . ?
C22 C21 N22 N21 0.3(4) . . . . ?
C22 C21 N22 C1 176.6(3) . . . . ?
C23 N21 N22 C21 -0.3(3) . . . . ?
Ag1 N21 N22 C21 161.3(2) . . . . ?
C23 N21 N22 C1 -176.9(3) . . . . ?
Ag1 N21 N22 C1 -15.3(3) . . . . ?
N12 C1 N22 C21 -110.0(3) . . . . ?
C2 C1 N22 C21 124.9(3) . . . . ?
N12 C1 N22 N21 66.0(3) . . . . ?
C2 C1 N22 N21 -59.1(3) . . . . ?
C32 C33 N31 N32 0.0(4) . . . . ?
C32 C33 N31 Ag2 158.7(3) . . . . ?
O4 Ag2 N31 C33 55.6(4) . . . . ?
N41 Ag2 N31 C33 -142.2(4) . . . . ?
O1 Ag2 N31 C33 -27.1(4) . . . . ?
O5 Ag2 N31 C33 116.3(6) . . . . ?
N51 Ag2 N31 C33 106.8(8) . . . . ?
O4 Ag2 N31 N32 -148.7(3) . . . . ?
N41 Ag2 N31 N32 13.5(2) . . . . ?
O1 Ag2 N31 N32 128.6(2) . . . . ?
O5 Ag2 N31 N32 -87.9(5) . . . . ?
N51 Ag2 N31 N32 -97.5(8) . . . . ?
C32 C31 N32 N31 0.3(4) . . . . ?
C32 C31 N32 C3 177.2(3) . . . . ?
C33 N31 N32 C31 -0.2(4) . . . . ?
Ag2 N31 N32 C31 -161.9(2) . . . . ?
C33 N31 N32 C3 -177.4(3) . . . . ?
Ag2 N31 N32 C3 21.0(4) . . . . ?
N42 C3 N32 C31 113.4(3) . . . . ?
C2 C3 N32 C31 -121.8(3) . . . . ?
N42 C3 N32 N31 -69.9(4) . . . . ?
C2 C3 N32 N31 54.9(4) . . . . ?
C42 C43 N41 N42 -0.3(4) . . . . ?
C42 C43 N41 Ag2 -144.6(2) . . . . ?
O4 Ag2 N41 C43 -81.8(5) . . . . ?
N31 Ag2 N41 C43 131.2(3) . . . . ?
O1 Ag2 N41 C43 22.6(3) . . . . ?
O5 Ag2 N41 C43 -112.7(5) . . . . ?
N51 Ag2 N41 C43 -118.9(7) . . . . ?
O4 Ag2 N41 N42 138.6(4) . . . . ?
N31 Ag2 N41 N42 -8.4(2) . . . . ?
O1 Ag2 N41 N42 -117.1(2) . . . . ?
O5 Ag2 N41 N42 107.7(5) . . . . ?
N51 Ag2 N41 N42 101.4(7) . . . . ?
C42 C41 N42 N41 0.0(4) . . . . ?
C42 C41 N42 C3 179.5(3) . . . . ?
C43 N41 N42 C41 0.2(3) . . . . ?
Ag2 N41 N42 C41 147.7(2) . . . . ?
C43 N41 N42 C3 -179.3(3) . . . . ?
Ag2 N41 N42 C3 -31.8(3) . . . . ?
N32 C3 N42 C41 -101.6(4) . . . . ?
C2 C3 N42 C41 135.4(3) . . . . ?
N32 C3 N42 N41 77.8(3) . . . . ?
C2 C3 N42 N41 -45.2(4) . . . . ?
O3 N1 O1 Ag2 174.2(3) . . . . ?
O2 N1 O1 Ag2 -5.9(4) . . . . ?
O4 Ag2 O1 N1 105.4(4) . . . . ?
N41 Ag2 O1 N1 -45.0(3) . . . . ?
N31 Ag2 O1 N1 -138.5(3) . . . . ?
O5 Ag2 O1 N1 80.6(5) . . . . ?
N51 Ag2 O1 N1 92.9(7) . . . . ?
O5 N2 O4 Ag2 -11.2(13) . . . . ?
O6 N2 O4 Ag2 164.9(7) . . . . ?
N41 Ag2 O4 N2 -32.8(8) . . . . ?
N31 Ag2 O4 N2 108.8(6) . . . . ?
O1 Ag2 O4 N2 -147.7(6) . . . . ?
O5 Ag2 O4 N2 6.0(7) . . . . ?
N51 Ag2 O4 N2 17.4(9) . . . . ?
O6 N2 O5 Ag2 -166.1(9) . . . . ?
O4 N2 O5 Ag2 9.9(11) . . . . ?
O4 Ag2 O5 N2 -6.2(7) . . . . ?
N41 Ag2 O5 N2 155.4(8) . . . . ?
N31 Ag2 O5 N2 -114.0(9) . . . . ?
O1 Ag2 O5 N2 24.2(11) . . . . ?
N51 Ag2 O5 N2 -57(6) . . . . ?
O4 Ag2 N51 C51 52(18) . . . . ?
N41 Ag2 N51 C51 -152(18) . . . . ?
N31 Ag2 N51 C51 -60(18) . . . . ?
O1 Ag2 N51 C51 68(18) . . . . ?
O5 Ag2 N51 C51 173(24) . . . . ?
Ag2 N51 C51 C52 112(25) . . . . ?
C61 N61 C61 C62 -86(29) 2_655 . . . ?
N82 N82 C83 C83 78(3) 2_655 . . 2_655 ?
C83 N82 C83 N82 -78(3) 2_655 . . 2_655 ?
N82 N82 C83 C84 -86(7) 2_655 . . . ?
C83 N82 C83 C84 -164(8) 2_655 . . . ?
