#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/42/4064257.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_4064257
loop_
_publ_author_name
'Liu, Qing-Xiang'
'Yao, Zhao-Quan'
'Zhao, Xiao-Jun'
'Chen, Ai-Hui'
'Yang, Xiao-Qiong'
'Liu, Shu-Wen'
'Wang, Xiu-Guang'
_publ_section_title
;
 Two N-Heterocyclic Carbene Silver(I) Cyclophanes: Synthesis, Structural
 Studies, and Recognition forp-Phenylenediamine
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3732
_journal_paper_doi               10.1021/om1012117
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C25.5 H33 Ag F6 N4 O3 P'
_chemical_formula_weight         691.35
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.17(3)
_cell_angle_beta                 100.85(3)
_cell_angle_gamma                106.03(3)
_cell_formula_units_Z            2
_cell_length_a                   7.7607(16)
_cell_length_b                   11.566(2)
_cell_length_c                   17.456(3)
_cell_measurement_reflns_used    5089
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.892
_cell_measurement_theta_min      2.051
_cell_volume                     1462.2(6)
_computing_cell_refinement       crystalclear
_computing_data_collection       'crystalclear(Rigaku/MSC Inc., 2005)'
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'rigaku saturn CCD area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0542
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12226
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.05
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.816
_exptl_absorpt_correction_T_max  0.878
_exptl_absorpt_correction_T_min  0.838
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             698.0
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.008
_refine_diff_density_min         -0.943
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         5099
_refine_ls_number_restraints     75
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0455
_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)+(0.0308P)²+6.4682P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1193
_reflns_number_gt                4501
_reflns_number_total             5162
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1012117_si_001.cif
_cod_data_source_block           r90610c1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1462.2(5)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C25.50 H33 Ag F6 N4 O3 P'
_cod_database_code               4064257
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 0.73701(5) -0.18159(3) 0.16280(2) 0.02185(13) Uani 1 1 d . . .
O1 O 0.6856(4) 0.0704(3) 0.27048(17) 0.0202(7) Uani 1 1 d . . .
O2 O 0.7584(5) 0.0278(3) 0.61288(18) 0.0269(8) Uani 1 1 d . . .
N1 N 0.3367(5) -0.2002(4) 0.0791(2) 0.0211(9) Uani 1 1 d . . .
N2 N 0.5068(5) -0.0150(3) 0.1046(2) 0.0177(8) Uani 1 1 d . . .
N3 N 0.8612(5) 0.1627(4) 0.7580(2) 0.0226(9) Uani 1 1 d . . .
N4 N 1.0322(6) 0.3471(4) 0.7777(2) 0.0275(10) Uani 1 1 d . . .
C1 C 0.2975(10) -0.3921(5) -0.0069(3) 0.0422(15) Uani 1 1 d . . .
H1A H 0.2188 -0.3719 -0.0496 0.063 Uiso 1 1 calc R . .
H1B H 0.2636 -0.4788 -0.0089 0.063 Uiso 1 1 calc R . .
H1C H 0.4229 -0.3625 -0.0116 0.063 Uiso 1 1 calc R . .
C2 C 0.2776(7) -0.3339(4) 0.0708(3) 0.0271(11) Uani 1 1 d . . .
H2A H 0.1501 -0.3621 0.0746 0.033 Uiso 1 1 calc R . .
H2B H 0.3507 -0.3591 0.1138 0.033 Uiso 1 1 calc R . .
C3 C 0.2280(7) -0.1303(4) 0.0522(3) 0.0226(10) Uani 1 1 d . . .
H3 H 0.1040 -0.1584 0.0273 0.027 Uiso 1 1 calc R . .
C4 C 0.3351(7) -0.0124(4) 0.0686(2) 0.0214(10) Uani 1 1 d . . .
H4 H 0.2993 0.0559 0.0578 0.026 Uiso 1 1 calc R . .
C5 C 0.5110(6) -0.1305(4) 0.1116(2) 0.0194(10) Uani 1 1 d . . .
C6 C 0.6641(7) 0.0928(4) 0.1354(3) 0.0228(10) Uani 1 1 d . . .
H6A H 0.6646 0.1513 0.0989 0.027 Uiso 1 1 calc R . .
H6B H 0.7764 0.0702 0.1388 0.027 Uiso 1 1 calc R . .
C7 C 0.6624(7) 0.1521(4) 0.2155(3) 0.0222(10) Uani 1 1 d . . .
H7A H 0.7613 0.2281 0.2310 0.027 Uiso 1 1 calc R . .
H7B H 0.5467 0.1696 0.2142 0.027 Uiso 1 1 calc R . .
C8 C 0.6887(7) 0.1103(4) 0.3479(3) 0.0206(10) Uani 1 1 d . . .
C9 C 0.6667(9) 0.2198(5) 0.3725(3) 0.0356(13) Uani 1 1 d . . .
H9 H 0.6479 0.2722 0.3366 0.043 Uiso 1 1 calc R . .
C10 C 0.6729(10) 0.2522(5) 0.4527(3) 0.0439(16) Uani 1 1 d . . .
H10 H 0.6553 0.3260 0.4691 0.053 Uiso 1 1 calc R . .
C11 C 0.7035(8) 0.1799(5) 0.5064(3) 0.0300(12) Uani 1 1 d . . .
H11 H 0.7101 0.2049 0.5593 0.036 Uiso 1 1 calc R . .
C12 C 0.7258(6) 0.0651(4) 0.4824(3) 0.0211(10) Uani 1 1 d . . .
C13 C 0.7187(6) 0.0287(4) 0.4018(3) 0.0172(9) Uani 1 1 d . . .
C14 C 0.7445(7) -0.0837(4) 0.3780(3) 0.0235(10) Uani 1 1 d . . .
H14 H 0.7360 -0.1095 0.3250 0.028 Uiso 1 1 calc R . .
C15 C 0.7824(8) -0.1552(5) 0.4339(3) 0.0327(13) Uani 1 1 d . . .
H15 H 0.8012 -0.2289 0.4181 0.039 Uiso 1 1 calc R . .
C16 C 0.7934(8) -0.1200(5) 0.5139(3) 0.0346(13) Uani 1 1 d . . .
H16 H 0.8221 -0.1686 0.5509 0.042 Uiso 1 1 calc R . .
C17 C 0.7613(7) -0.0131(4) 0.5370(3) 0.0214(10) Uani 1 1 d . . .
C18 C 0.8249(7) -0.0319(5) 0.6750(3) 0.0265(11) Uani 1 1 d . . .
H18A H 0.9543 -0.0232 0.6791 0.032 Uiso 1 1 calc R . .
H18B H 0.7573 -0.1179 0.6654 0.032 Uiso 1 1 calc R . .
C19 C 0.7956(7) 0.0291(5) 0.7496(3) 0.0277(11) Uani 1 1 d . . .
H19A H 0.6655 0.0035 0.7494 0.033 Uiso 1 1 calc R . .
H19B H 0.8598 0.0028 0.7947 0.033 Uiso 1 1 calc R . .
C20 C 0.7501(7) 0.2314(5) 0.7313(3) 0.0302(12) Uani 1 1 d . . .
H20 H 0.6247 0.2027 0.7090 0.036 Uiso 1 1 calc R . .
C21 C 0.8558(8) 0.3469(5) 0.7436(3) 0.0336(13) Uani 1 1 d . . .
H21 H 0.8184 0.4141 0.7315 0.040 Uiso 1 1 calc R . .
C22 C 1.0366(7) 0.2327(4) 0.7867(3) 0.0225(10) Uani 1 1 d . . .
C23 C 1.1977(8) 0.4545(5) 0.7911(3) 0.0362(13) Uani 1 1 d . . .
H23A H 1.2920 0.4452 0.8331 0.043 Uiso 1 1 calc R . .
H23B H 1.1666 0.5271 0.8077 0.043 Uiso 1 1 calc R . .
C24 C 1.2715(9) 0.4695(6) 0.7178(4) 0.0518(17) Uani 1 1 d . . .
H24A H 1.3088 0.3997 0.7029 0.078 Uiso 1 1 calc R . .
H24B H 1.3754 0.5413 0.7278 0.078 Uiso 1 1 calc R . .
H24C H 1.1775 0.4770 0.6758 0.078 Uiso 1 1 calc R . .
P1 P 0.20994(18) 0.30919(11) 0.14593(8) 0.0233(3) Uani 1 1 d . . .
F1 F 0.1364(5) 0.3396(3) 0.0613(2) 0.0568(10) Uani 1 1 d . . .
F2 F 0.3853(4) 0.2886(3) 0.1190(2) 0.0430(8) Uani 1 1 d . . .
F3 F 0.0998(4) 0.1681(3) 0.1159(2) 0.0384(8) Uani 1 1 d . . .
F4 F 0.2848(5) 0.2769(3) 0.23009(19) 0.0449(8) Uani 1 1 d . . .
F5 F 0.0348(5) 0.3280(3) 0.1734(3) 0.0591(11) Uani 1 1 d . . .
F6 F 0.3187(5) 0.4493(3) 0.1751(2) 0.0445(8) Uani 1 1 d . . .
O3 O 0.6260(18) 0.5458(17) 0.5095(11) 0.065(4) Uani 0.50 1 d PU A 1
C25 C 0.727(3) 0.549(2) 0.5912(14) 0.069(5) Uani 0.50 1 d PU A 1
O4 O 0.5573(13) 0.5231(13) 0.5058(8) 0.048(3) Uani 0.50 1 d PDU . 2
C26' C 0.6643(17) 0.5387(19) 0.5868(8) 0.045(3) Uani 0.50 1 d PDU B 2
C27' C 0.8771(15) 0.5869(13) 0.5969(8) 0.061(4) Uani 0.50 1 d PDU B 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
C22 Ag1 C5 179.65(17) 2_756 .
C8 O1 C7 116.3(3) . .
C17 O2 C18 118.6(4) . .
C5 N1 C3 111.1(4) . .
C5 N1 C2 123.4(4) . .
C3 N1 C2 125.5(4) . .
C5 N2 C4 111.8(4) . .
C5 N2 C6 123.8(4) . .
C4 N2 C6 124.4(4) . .
C22 N3 C20 111.3(4) . .
C22 N3 C19 125.6(4) . .
C20 N3 C19 123.0(4) . .
C22 N4 C21 110.7(5) . .
C22 N4 C23 124.4(4) . .
C21 N4 C23 124.3(4) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 C1 112.0(4) . .
N1 C2 H2A 109.2 . .
C1 C2 H2A 109.2 . .
N1 C2 H2B 109.2 . .
C1 C2 H2B 109.2 . .
H2A C2 H2B 107.9 . .
C4 C3 N1 107.3(4) . .
C4 C3 H3 126.3 . .
N1 C3 H3 126.3 . .
C3 C4 N2 105.7(4) . .
C3 C4 H4 127.1 . .
N2 C4 H4 127.1 . .
N1 C5 N2 104.1(4) . .
N1 C5 Ag1 129.5(3) . .
N2 C5 Ag1 126.4(3) . .
N2 C6 C7 112.9(4) . .
N2 C6 H6A 109.0 . .
C7 C6 H6A 109.0 . .
N2 C6 H6B 109.0 . .
C7 C6 H6B 109.0 . .
H6A C6 H6B 107.8 . .
O1 C7 C6 108.1(4) . .
O1 C7 H7A 110.1 . .
C6 C7 H7A 110.1 . .
O1 C7 H7B 110.1 . .
C6 C7 H7B 110.1 . .
H7A C7 H7B 108.4 . .
C9 C8 O1 123.6(4) . .
C9 C8 C13 121.4(4) . .
O1 C8 C13 115.0(4) . .
C8 C9 C10 119.2(5) . .
C8 C9 H9 120.4 . .
C10 C9 H9 120.4 . .
C11 C10 C9 122.0(5) . .
C11 C10 H10 119.0 . .
C9 C10 H10 119.0 . .
C10 C11 C12 120.0(4) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C17 C12 C13 118.4(4) . .
C17 C12 C11 122.1(4) . .
C13 C12 C11 119.5(4) . .
C14 C13 C12 119.8(4) . .
C14 C13 C8 122.4(4) . .
C12 C13 C8 117.7(4) . .
C15 C14 C13 119.3(4) . .
C15 C14 H14 120.4 . .
C13 C14 H14 120.4 . .
C14 C15 C16 121.7(5) . .
C14 C15 H15 119.1 . .
C16 C15 H15 119.1 . .
C17 C16 C15 119.2(5) . .
C17 C16 H16 120.4 . .
C15 C16 H16 120.4 . .
C16 C17 O2 124.5(4) . .
C16 C17 C12 121.5(4) . .
O2 C17 C12 114.0(4) . .
O2 C18 C19 106.0(4) . .
O2 C18 H18A 110.5 . .
C19 C18 H18A 110.5 . .
O2 C18 H18B 110.5 . .
C19 C18 H18B 110.5 . .
H18A C18 H18B 108.7 . .
N3 C19 C18 112.7(4) . .
N3 C19 H19A 109.1 . .
C18 C19 H19A 109.1 . .
N3 C19 H19B 109.1 . .
C18 C19 H19B 109.1 . .
H19A C19 H19B 107.8 . .
C21 C20 N3 107.1(5) . .
C21 C20 H20 126.4 . .
N3 C20 H20 126.4 . .
C20 C21 N4 106.6(5) . .
C20 C21 H21 126.7 . .
N4 C21 H21 126.7 . .
N3 C22 N4 104.3(4) . .
N3 C22 Ag1 128.9(4) . 2_756
N4 C22 Ag1 126.8(4) . 2_756
N4 C23 C24 111.5(4) . .
N4 C23 H23A 109.3 . .
C24 C23 H23A 109.3 . .
N4 C23 H23B 109.3 . .
C24 C23 H23B 109.3 . .
H23A C23 H23B 108.0 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
F5 P1 F1 90.0(2) . .
F5 P1 F2 179.2(2) . .
F1 P1 F2 90.5(2) . .
F5 P1 F6 90.4(2) . .
F1 P1 F6 90.1(2) . .
F2 P1 F6 90.15(19) . .
F5 P1 F4 90.7(2) . .
F1 P1 F4 179.0(2) . .
F2 P1 F4 88.7(2) . .
F6 P1 F4 90.59(19) . .
F5 P1 F3 89.59(19) . .
F1 P1 F3 89.58(19) . .
F2 P1 F3 89.84(18) . .
F6 P1 F3 179.6(2) . .
F4 P1 F3 89.78(18) . .
O4 O4 C26' 119(2) 2_666 .
O4 C26' C27' 115.0(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C22 2.073(5) 2_756
Ag1 C5 2.075(5) .
O1 C8 1.382(5) .
O1 C7 1.429(5) .
O2 C17 1.373(5) .
O2 C18 1.428(6) .
N1 C5 1.352(6) .
N1 C3 1.372(6) .
N1 C2 1.471(6) .
N2 C5 1.360(6) .
N2 C4 1.372(6) .
N2 C6 1.458(6) .
N3 C22 1.349(6) .
N3 C20 1.372(6) .
N3 C19 1.472(6) .
N4 C22 1.356(6) .
N4 C21 1.385(7) .
N4 C23 1.483(7) .
C1 C2 1.514(7) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.359(7) .
C3 H3 0.9300 .
C4 H4 0.9300 .
C6 C7 1.504(6) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.366(7) .
C8 C13 1.424(6) .
C9 C10 1.403(7) .
C9 H9 0.9300 .
C10 C11 1.342(7) .
C10 H10 0.9300 .
C11 C12 1.422(7) .
C11 H11 0.9300 .
C12 C17 1.412(6) .
C12 C13 1.418(6) .
C13 C14 1.408(6) .
C14 C15 1.376(7) .
C14 H14 0.9300 .
C15 C16 1.398(7) .
C15 H15 0.9300 .
C16 C17 1.367(7) .
C16 H16 0.9300 .
C18 C19 1.509(7) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C21 1.335(8) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 Ag1 2.073(5) 2_756
C23 C24 1.503(8) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
P1 F5 1.586(3) .
P1 F1 1.588(3) .
P1 F2 1.590(3) .
P1 F6 1.591(3) .
P1 F4 1.592(3) .
P1 F3 1.605(3) .
O3 C25 1.48(2) .
O4 O4 0.88(2) 2_666
O4 C26' 1.467(9) .
C26' C27' 1.560(9) .
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_4
C5 N1 C2 C1 -90.1(6) . .
C3 N1 C2 C1 86.7(6) . .
C5 N1 C3 C4 -0.6(5) . .
C2 N1 C3 C4 -177.7(4) . .
N1 C3 C4 N2 0.5(5) . .
C5 N2 C4 C3 -0.3(5) . .
C6 N2 C4 C3 -177.3(4) . .
C3 N1 C5 N2 0.4(5) . .
C2 N1 C5 N2 177.6(4) . .
C3 N1 C5 Ag1 179.5(3) . .
C2 N1 C5 Ag1 -3.3(6) . .
C4 N2 C5 N1 -0.1(5) . .
C6 N2 C5 N1 177.0(4) . .
C4 N2 C5 Ag1 -179.2(3) . .
C6 N2 C5 Ag1 -2.2(6) . .
C22 Ag1 C5 N1 96(31) 2_756 .
C22 Ag1 C5 N2 -85(31) 2_756 .
C5 N2 C6 C7 -95.9(5) . .
C4 N2 C6 C7 80.8(5) . .
C8 O1 C7 C6 179.6(4) . .
N2 C6 C7 O1 66.1(5) . .
C7 O1 C8 C9 1.6(7) . .
C7 O1 C8 C13 -177.8(4) . .
O1 C8 C9 C10 -179.7(5) . .
C13 C8 C9 C10 -0.3(9) . .
C8 C9 C10 C11 1.4(10) . .
C9 C10 C11 C12 -1.8(10) . .
C10 C11 C12 C17 178.9(6) . .
C10 C11 C12 C13 1.1(8) . .
C17 C12 C13 C14 0.8(7) . .
C11 C12 C13 C14 178.7(5) . .
C17 C12 C13 C8 -178.0(4) . .
C11 C12 C13 C8 -0.1(7) . .
C9 C8 C13 C14 -179.0(5) . .
O1 C8 C13 C14 0.4(7) . .
C9 C8 C13 C12 -0.3(7) . .
O1 C8 C13 C12 179.2(4) . .
C12 C13 C14 C15 -2.1(7) . .
C8 C13 C14 C15 176.6(5) . .
C13 C14 C15 C16 1.0(8) . .
C14 C15 C16 C17 1.6(9) . .
C15 C16 C17 O2 176.4(5) . .
C15 C16 C17 C12 -3.0(9) . .
C18 O2 C17 C16 11.9(7) . .
C18 O2 C17 C12 -168.7(4) . .
C13 C12 C17 C16 1.8(8) . .
C11 C12 C17 C16 -176.0(5) . .
C13 C12 C17 O2 -177.6(4) . .
C11 C12 C17 O2 4.6(7) . .
C17 O2 C18 C19 -177.4(4) . .
C22 N3 C19 C18 -82.6(6) . .
C20 N3 C19 C18 92.2(5) . .
O2 C18 C19 N3 -47.8(5) . .
C22 N3 C20 C21 -0.3(5) . .
C19 N3 C20 C21 -175.8(4) . .
N3 C20 C21 N4 0.2(5) . .
C22 N4 C21 C20 0.0(5) . .
C23 N4 C21 C20 171.4(4) . .
C20 N3 C22 N4 0.3(5) . .
C19 N3 C22 N4 175.7(4) . .
C20 N3 C22 Ag1 178.3(3) . 2_756
C19 N3 C22 Ag1 -6.3(6) . 2_756
C21 N4 C22 N3 -0.2(5) . .
C23 N4 C22 N3 -171.6(4) . .
C21 N4 C22 Ag1 -178.2(3) . 2_756
C23 N4 C22 Ag1 10.4(6) . 2_756
C22 N4 C23 C24 88.1(6) . .
C21 N4 C23 C24 -82.2(6) . .
O4 O4 C26' C27' 162(3) 2_666 .
