#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/04/7050426.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_7050426
loop_
_publ_author_name
'Chowdhury, Shubhamoy'
'Iveson, Peter B.'
'Drew, Michael G. B.'
'Tocher, Derek A.'
'Datta, Dipankar'
_publ_section_title
;
 A novel copper(i) complex that is a monomeric single helix in solid
 state but a dimeric double helix in solution
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              193
_journal_paper_doi               10.1039/b207057j
_journal_volume                  27
_journal_year                    2003
_chemical_formula_sum            'C28 H28 Ag Cl N6 O6'
_chemical_formula_weight         687.88
_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                 127.937(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.01(4)
_cell_length_b                   15.30(2)
_cell_length_c                   20.37(3)
_cell_measurement_temperature    293(2)
_cell_volume                     6885(17)
_computing_cell_refinement       XDS
_computing_data_collection       'XDS (Kabsch, 1991)'
_computing_data_reduction        XDS
_computing_molecular_graphics    PLATON(Spek,1994)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Marresearch Image Plate'
_diffrn_measurement_method
'95 frames at 2^o intervals, counting time 2 min.'
_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  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0496
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            6929
_diffrn_reflns_theta_max         26.11
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    0.707
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2800
_refine_diff_density_max         0.842
_refine_diff_density_min         -0.925
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       0.0008(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         4502
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.1298
_refine_ls_R_factor_gt           0.0756
_refine_ls_shift/su_max          0.496
_refine_ls_shift/su_mean         0.037
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1812P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2224
_refine_ls_wR_factor_ref         0.2586
_reflns_number_gt                2608
_reflns_number_total             4502
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b207057j.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1812P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1812P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        6888(16)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C28 H28 Ag Cl N6 O6   '
_cod_database_code               7050426
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.07394(3) 0.09938(4) 0.70123(5) 0.0827(5) Uani 1 d . . .
C1 C 0.0047(5) -0.1352(6) 0.8838(7) 0.095(3) Uani 1 d . . .
H1A H 0.0231 -0.1778 0.8709 0.115 Uiso 1 calc R . .
H1B H -0.0233 -0.1637 0.8890 0.115 Uiso 1 calc R . .
H1C H 0.0356 -0.1067 0.9352 0.115 Uiso 1 calc R . .
C2 C -0.0281(4) -0.0689(5) 0.8155(6) 0.068(2) Uani 1 d . . .
N3 N -0.0183(3) 0.0156(4) 0.8263(5) 0.0677(18) Uani 1 d . . .
N4 N 0.0272(3) 0.0372(4) 0.9088(5) 0.0715(19) Uani 1 d . . .
C5 C 0.0322(3) 0.1199(5) 0.9287(6) 0.065(2) Uani 1 d . . .
C6 C -0.0080(4) 0.1931(5) 0.8707(5) 0.071(2) Uani 1 d . . .
N7 N 0.0097(3) 0.2480(4) 0.8398(5) 0.079(2) Uani 1 d . . .
N8 N 0.0643(3) 0.2251(4) 0.8552(4) 0.0750(19) Uani 1 d . . .
C9 C 0.0975(5) 0.2911(5) 0.8676(7) 0.090(3) Uani 1 d . . .
C10 C 0.0845(7) 0.3816(6) 0.8749(11) 0.145(6) Uani 1 d . . .
H10A H 0.1003 0.4202 0.8554 0.174 Uiso 1 calc R . .
H10B H 0.1030 0.3944 0.9321 0.174 Uiso 1 calc R . .
H10C H 0.0415 0.3896 0.8419 0.174 Uiso 1 calc R . .
C51 C 0.0776(4) 0.1436(5) 1.0157(6) 0.071(2) Uani 1 d . . .
C52 C 0.1193(5) 0.0814(7) 1.0754(8) 0.096(3) Uani 1 d . . .
H52 H 0.1190 0.0251 1.0581 0.115 Uiso 1 calc R . .
C53 C 0.1605(5) 0.1023(9) 1.1588(9) 0.107(4) Uani 1 d . . .
H53 H 0.1874 0.0603 1.1969 0.129 Uiso 1 calc R . .
C54 C 0.1613(5) 0.1858(10) 1.1852(8) 0.108(3) Uani 1 d . . .
H54 H 0.1883 0.1993 1.2415 0.129 Uiso 1 calc R . .
C55 C 0.1233(5) 0.2482(8) 1.1303(8) 0.100(3) Uani 1 d . . .
H55 H 0.1249 0.3045 1.1487 0.120 Uiso 1 calc R . .
C56 C 0.0812(4) 0.2273(6) 1.0450(6) 0.079(2) Uani 1 d . . .
H56 H 0.0553 0.2705 1.0076 0.095 Uiso 1 calc R . .
C61 C -0.0651(4) 0.2106(5) 0.8581(5) 0.076(2) Uani 1 d . . .
C62 C -0.0903(4) 0.1477(6) 0.8771(6) 0.087(3) Uani 1 d . . .
H62 H -0.0711 0.0939 0.8976 0.104 Uiso 1 calc R . .
C63 C -0.1444(5) 0.1635(9) 0.8661(8) 0.122(4) Uani 1 d . . .
H63 H -0.1606 0.1212 0.8800 0.146 Uiso 1 calc R . .
C64 C -0.1721(5) 0.2422(10) 0.8346(8) 0.126(4) Uani 1 d . . .
H64 H -0.2082 0.2529 0.8262 0.151 Uiso 1 calc R . .
C65 C -0.1489(6) 0.3059(8) 0.8150(8) 0.121(4) Uani 1 d . . .
H65 H -0.1687 0.3593 0.7942 0.145 Uiso 1 calc R . .
C66 C -0.0958(4) 0.2910(6) 0.8261(6) 0.093(3) Uani 1 d . . .
H66 H -0.0801 0.3344 0.8124 0.112 Uiso 1 calc R . .
C91 C 0.1534(5) 0.2711(6) 0.8771(7) 0.092(3) Uani 1 d . . .
N92 N 0.1585(3) 0.1887(5) 0.8563(5) 0.089(2) Uani 1 d . . .
C93 C 0.2076(5) 0.1672(10) 0.8642(7) 0.121(4) Uani 1 d . . .
H93 H 0.2100 0.1115 0.8482 0.145 Uiso 1 calc R . .
C94 C 0.2568(5) 0.2259(11) 0.8960(8) 0.125(4) Uani 1 d . . .
H94 H 0.2914 0.2082 0.9029 0.150 Uiso 1 calc R . .
C95 C 0.2519(6) 0.3081(11) 0.9159(9) 0.137(5) Uani 1 d . . .
H95 H 0.2821 0.3493 0.9339 0.164 Uiso 1 calc R . .
C96 C 0.2010(6) 0.3291(7) 0.9087(7) 0.114(4) Uani 1 d . . .
H96 H 0.1984 0.3842 0.9256 0.137 Uiso 1 calc R . .
C21 C -0.0759(5) -0.1010(5) 0.7286(7) 0.076(3) Uani 1 d . . .
N22 N -0.1013(4) -0.0440(5) 0.6660(6) 0.087(2) Uani 1 d . . .
C23 C -0.1445(5) -0.0722(7) 0.5886(8) 0.100(3) Uani 1 d . . .
H23 H -0.1632 -0.0313 0.5459 0.119 Uiso 1 calc R . .
C24 C -0.1629(5) -0.1564(9) 0.5682(9) 0.121(4) Uani 1 d . . .
H24 H -0.1925 -0.1738 0.5135 0.146 Uiso 1 calc R . .
C25 C -0.1352(7) -0.2150(8) 0.6336(11) 0.127(4) Uani 1 d . . .
H25 H -0.1465 -0.2735 0.6226 0.153 Uiso 1 calc R . .
C26 C -0.0914(6) -0.1896(6) 0.7143(8) 0.099(3) Uani 1 d . . .
H26 H -0.0728 -0.2297 0.7578 0.118 Uiso 1 calc R . .
Cl1 Cl 0.20199(15) -0.4349(2) 0.8292(2) 0.1270(11) Uani 0.524(9) d PD A 1
O11 O 0.2215(9) -0.3419(9) 0.8503(13) 0.169(3) Uiso 0.524(9) d PD A 1
O12 O 0.1485(7) -0.4551(12) 0.8174(13) 0.169(3) Uiso 0.524(9) d PD A 1
O13 O 0.2543(7) -0.4836(12) 0.8984(10) 0.169(3) Uiso 0.524(9) d PD A 1
O14 O 0.1989(8) -0.4546(11) 0.7537(9) 0.169(3) Uiso 0.524(9) d PD A 1
Cl2 Cl 0.20199(15) -0.4349(2) 0.8292(2) 0.1270(11) Uani 0.476(9) d PD A 2
O21 O 0.1528(7) -0.4887(12) 0.7605(10) 0.169(3) Uiso 0.476(9) d PD A 2
O22 O 0.1874(10) -0.4416(13) 0.8932(12) 0.169(3) Uiso 0.476(9) d PD A 2
O23 O 0.2603(7) -0.4762(14) 0.8723(13) 0.169(3) Uiso 0.476(9) d PD A 2
O24 O 0.2004(10) -0.3458(9) 0.8130(14) 0.169(3) Uiso 0.476(9) d PD A 2
O91 O -0.010(2) 0.423(3) 1.067(3) 0.225(17) Uiso 0.33 d P . 2
O92 O 0.225(3) -0.419(4) 1.086(4) 0.27(3) Uiso 0.33 d P . 2
O93 O 0.009(3) 0.516(4) 0.980(4) 0.28(2) Uiso 0.33 d P . 2
O94 O 0.094(3) 0.563(4) 1.003(4) 0.30(3) Uiso 0.33 d P B 2
O95 O 0.321(5) -0.050(6) 0.933(6) 0.43(5) Uiso 0.33 d P . 2
O96 O 0.022(4) 0.602(4) 0.870(6) 0.36(4) Uiso 0.33 d P . 2
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'
Cl Cl 0.1484 0.1585 '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
N22 Ag1 N92 111.3(3) . 6_557 ?
N22 Ag1 N8 138.7(3) . 6_557 ?
N92 Ag1 N8 70.1(3) 6_557 6_557 ?
N22 Ag1 N3 72.1(3) . . ?
N92 Ag1 N3 130.3(2) 6_557 . ?
N8 Ag1 N3 140.3(2) 6_557 . ?
N22 Ag1 Ag1 104.0(2) . 6_557 ?
N92 Ag1 Ag1 144.1(2) 6_557 6_557 ?
N8 Ag1 Ag1 79.37(17) 6_557 6_557 ?
N3 Ag1 Ag1 66.68(15) . 6_557 ?
N3 C2 C1 124.5(9) . . ?
N3 C2 C21 117.6(8) . . ?
C1 C2 C21 117.9(8) . . ?
C2 N3 N4 112.3(7) . . ?
C2 N3 Ag1 114.7(6) . . ?
N4 N3 Ag1 132.6(4) . . ?
C5 N4 N3 116.7(7) . . ?
N4 C5 C51 117.7(8) . . ?
N4 C5 C6 126.0(8) . . ?
C51 C5 C6 116.2(7) . . ?
N7 C6 C61 119.2(7) . . ?
N7 C6 C5 121.8(7) . . ?
C61 C6 C5 118.4(7) . . ?
C6 N7 N8 114.5(6) . . ?
C9 N8 N7 113.9(7) . . ?
C9 N8 Ag1 117.0(6) . 6_557 ?
N7 N8 Ag1 122.3(5) . 6_557 ?
N8 C9 C10 124.5(9) . . ?
N8 C9 C91 116.1(7) . . ?
C10 C9 C91 119.3(8) . . ?
C56 C51 C52 116.5(9) . . ?
C56 C51 C5 122.1(8) . . ?
C52 C51 C5 121.4(8) . . ?
C53 C52 C51 121.7(10) . . ?
C54 C53 C52 119.6(11) . . ?
C55 C54 C53 121.0(11) . . ?
C54 C55 C56 119.6(10) . . ?
C51 C56 C55 121.5(9) . . ?
C62 C61 C66 117.9(8) . . ?
C62 C61 C6 120.6(7) . . ?
C66 C61 C6 121.6(8) . . ?
C61 C62 C63 121.3(9) . . ?
C64 C63 C62 118.2(11) . . ?
C63 C64 C65 122.3(10) . . ?
C66 C65 C64 119.7(11) . . ?
C65 C66 C61 120.6(10) . . ?
N92 C91 C96 118.9(10) . . ?
N92 C91 C9 116.8(7) . . ?
C96 C91 C9 124.3(10) . . ?
C93 N92 C91 119.3(9) . . ?
C93 N92 Ag1 125.0(8) . 6_557 ?
C91 N92 Ag1 115.5(6) . 6_557 ?
N92 C93 C94 122.7(13) . . ?
C95 C94 C93 118.4(12) . . ?
C94 C95 C96 118.1(11) . . ?
C95 C96 C91 122.4(12) . . ?
N22 C21 C26 121.3(11) . . ?
N22 C21 C2 118.7(7) . . ?
C26 C21 C2 119.9(10) . . ?
C23 N22 C21 118.7(9) . . ?
C23 N22 Ag1 124.4(8) . . ?
C21 N22 Ag1 116.6(7) . . ?
N22 C23 C24 124.5(12) . . ?
C23 C24 C25 116.0(12) . . ?
C26 C25 C24 122.1(11) . . ?
C25 C26 C21 117.3(11) . . ?
O12 Cl1 O13 112.7(10) . . ?
O12 Cl1 O11 115.1(10) . . ?
O13 Cl1 O11 103.6(10) . . ?
O12 Cl1 O14 113.2(10) . . ?
O13 Cl1 O14 105.9(9) . . ?
O11 Cl1 O14 105.4(9) . . ?
O24 Cl2 O23 115.6(10) . . ?
O24 Cl2 O21 116.5(11) . . ?
O23 Cl2 O21 112.5(11) . . ?
O24 Cl2 O22 105.7(10) . . ?
O23 Cl2 O22 103.8(10) . . ?
O21 Cl2 O22 100.4(9) . . ?
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 N22 2.289(8) . ?
Ag1 N92 2.331(7) 6_557 ?
Ag1 N8 2.340(7) 6_557 ?
Ag1 N3 2.384(8) . ?
Ag1 Ag1 3.315(5) 6_557 ?
C1 C2 1.495(13) . ?
C2 N3 1.313(10) . ?
C2 C21 1.501(14) . ?
N3 N4 1.386(10) . ?
N4 C5 1.310(10) . ?
C5 C51 1.456(12) . ?
C5 C6 1.512(12) . ?
C6 N7 1.316(10) . ?
C6 C61 1.481(10) . ?
N7 N8 1.404(9) . ?
N8 C9 1.287(9) . ?
N8 Ag1 2.340(7) 6_557 ?
C9 C10 1.463(13) . ?
C9 C91 1.488(13) . ?
C51 C56 1.390(12) . ?
C51 C52 1.415(13) . ?
C52 C53 1.382(16) . ?
C53 C54 1.381(15) . ?
C54 C55 1.354(15) . ?
C55 C56 1.412(14) . ?
C61 C62 1.380(12) . ?
C61 C66 1.410(11) . ?
C62 C63 1.410(12) . ?
C63 C64 1.362(16) . ?
C64 C65 1.361(16) . ?
C65 C66 1.378(14) . ?
C91 N92 1.365(11) . ?
C91 C96 1.386(13) . ?
N92 C93 1.325(11) . ?
N92 Ag1 2.331(7) 6_557 ?
C93 C94 1.424(17) . ?
C94 C95 1.354(18) . ?
C95 C96 1.380(17) . ?
C21 N22 1.332(12) . ?
C21 C26 1.399(12) . ?
N22 C23 1.339(14) . ?
C23 C24 1.354(15) . ?
C24 C25 1.381(17) . ?
C25 C26 1.370(16) . ?
Cl1 O12 1.399(12) . ?
Cl1 O13 1.467(13) . ?
Cl1 O11 1.489(13) . ?
Cl1 O14 1.518(12) . ?
Cl2 O24 1.397(13) . ?
Cl2 O23 1.440(13) . ?
Cl2 O21 1.471(13) . ?
Cl2 O22 1.590(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
C1 C2 N3 N4 1.0(10) . . . . ?
C21 C2 N3 N4 -179.3(6) . . . . ?
C1 C2 N3 Ag1 175.3(6) . . . . ?
C21 C2 N3 Ag1 -5.0(8) . . . . ?
N22 Ag1 N3 C2 1.9(5) . . . . ?
N92 Ag1 N3 C2 105.0(5) 6_557 . . . ?
N8 Ag1 N3 C2 -146.1(5) 6_557 . . . ?
Ag1 Ag1 N3 C2 -112.7(5) 6_557 . . . ?
N22 Ag1 N3 N4 174.7(6) . . . . ?
N92 Ag1 N3 N4 -82.2(6) 6_557 . . . ?
N8 Ag1 N3 N4 26.7(7) 6_557 . . . ?
Ag1 Ag1 N3 N4 60.1(5) 6_557 . . . ?
C2 N3 N4 C5 -166.9(6) . . . . ?
Ag1 N3 N4 C5 20.1(9) . . . . ?
N3 N4 C5 C51 177.0(6) . . . . ?
N3 N4 C5 C6 1.9(10) . . . . ?
N4 C5 C6 N7 -103.3(9) . . . . ?
C51 C5 C6 N7 81.4(10) . . . . ?
N4 C5 C6 C61 85.4(9) . . . . ?
C51 C5 C6 C61 -89.9(8) . . . . ?
C61 C6 N7 N8 -179.9(7) . . . . ?
C5 C6 N7 N8 8.9(11) . . . . ?
C6 N7 N8 C9 -144.5(9) . . . . ?
C6 N7 N8 Ag1 65.5(9) . . . 6_557 ?
N7 N8 C9 C10 6.7(15) . . . . ?
Ag1 N8 C9 C10 158.4(10) 6_557 . . . ?
N7 N8 C9 C91 -175.0(8) . . . . ?
Ag1 N8 C9 C91 -23.3(11) 6_557 . . . ?
N4 C5 C51 C56 -171.4(6) . . . . ?
C6 C5 C51 C56 4.3(10) . . . . ?
N4 C5 C51 C52 6.7(10) . . . . ?
C6 C5 C51 C52 -177.7(7) . . . . ?
C56 C51 C52 C53 1.6(13) . . . . ?
C5 C51 C52 C53 -176.6(8) . . . . ?
C51 C52 C53 C54 0.0(15) . . . . ?
C52 C53 C54 C55 -1.6(15) . . . . ?
C53 C54 C55 C56 1.5(14) . . . . ?
C52 C51 C56 C55 -1.6(11) . . . . ?
C5 C51 C56 C55 176.5(7) . . . . ?
C54 C55 C56 C51 0.1(13) . . . . ?
N7 C6 C61 C62 169.1(9) . . . . ?
C5 C6 C61 C62 -19.4(12) . . . . ?
N7 C6 C61 C66 -10.5(12) . . . . ?
C5 C6 C61 C66 161.0(8) . . . . ?
C66 C61 C62 C63 -0.9(15) . . . . ?
C6 C61 C62 C63 179.5(9) . . . . ?
C61 C62 C63 C64 1.2(17) . . . . ?
C62 C63 C64 C65 -1(2) . . . . ?
C63 C64 C65 C66 1(2) . . . . ?
C64 C65 C66 C61 -0.4(17) . . . . ?
C62 C61 C66 C65 0.5(15) . . . . ?
C6 C61 C66 C65 -179.9(9) . . . . ?
N8 C9 C91 N92 12.0(14) . . . . ?
C10 C9 C91 N92 -169.6(11) . . . . ?
N8 C9 C91 C96 -165.0(10) . . . . ?
C10 C9 C91 C96 13.4(17) . . . . ?
C96 C91 N92 C93 -2.4(15) . . . . ?
C9 C91 N92 C93 -179.5(9) . . . . ?
C96 C91 N92 Ag1 -177.6(8) . . . 6_557 ?
C9 C91 N92 Ag1 5.3(11) . . . 6_557 ?
C91 N92 C93 C94 2.0(16) . . . . ?
Ag1 N92 C93 C94 176.8(9) 6_557 . . . ?
N92 C93 C94 C95 -2.7(19) . . . . ?
C93 C94 C95 C96 4(2) . . . . ?
C94 C95 C96 C91 -4(2) . . . . ?
N92 C91 C96 C95 3.5(17) . . . . ?
C9 C91 C96 C95 -179.6(11) . . . . ?
N3 C2 C21 N22 6.9(11) . . . . ?
C1 C2 C21 N22 -173.4(7) . . . . ?
N3 C2 C21 C26 -175.2(7) . . . . ?
C1 C2 C21 C26 4.6(11) . . . . ?
C26 C21 N22 C23 3.1(13) . . . . ?
C2 C21 N22 C23 -179.0(8) . . . . ?
C26 C21 N22 Ag1 177.1(7) . . . . ?
C2 C21 N22 Ag1 -5.0(9) . . . . ?
N92 Ag1 N22 C23 48.2(8) 6_557 . . . ?
N8 Ag1 N22 C23 -35.4(9) 6_557 . . . ?
N3 Ag1 N22 C23 175.4(8) . . . . ?
Ag1 Ag1 N22 C23 -125.2(7) 6_557 . . . ?
N92 Ag1 N22 C21 -125.4(6) 6_557 . . . ?
N8 Ag1 N22 C21 151.0(6) 6_557 . . . ?
N3 Ag1 N22 C21 1.8(6) . . . . ?
Ag1 Ag1 N22 C21 61.2(6) 6_557 . . . ?
C21 N22 C23 C24 -2.9(15) . . . . ?
Ag1 N22 C23 C24 -176.4(8) . . . . ?
N22 C23 C24 C25 1.5(16) . . . . ?
C23 C24 C25 C26 -0.2(17) . . . . ?
C24 C25 C26 C21 0.5(17) . . . . ?
N22 C21 C26 C25 -1.9(14) . . . . ?
C2 C21 C26 C25 -179.8(9) . . . . ?
