#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/04/7010420.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_7010420
loop_
_publ_author_name
'Hambley, Trevor W.'
'Lindoy, Leonard F.'
'Reimers, Jeffrey R.'
'Turner, Peter'
'Wei, Gang'
'Widmer-Cooper, Asaph N.'
_publ_section_title
;
 Macrocyclic ligand design. X-Ray, DFT and solution studies of the
 effect of N-methylation and N-benzylation of
 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane on its affinity for
 selected transition and post-transition metal ions
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              614
_journal_paper_doi               10.1039/b008789k
_journal_year                    2001
_chemical_formula_sum            'C26 H38 Ag F6 N2 O4 P'
_chemical_formula_weight         695.42
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_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                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6622(6)
_cell_length_b                   29.681(2)
_cell_length_c                   9.2715(5)
_cell_measurement_reflns_used    7903
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      27.97
_cell_measurement_theta_min      2.30
_cell_volume                     2934.1(3)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        'SAINT and XPREP'
_computing_molecular_graphics    'teXsan for Windows (MSC, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, et. al. 1997)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0206
_diffrn_reflns_av_sigmaI/netI    0.0160
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            31014
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.37
_diffrn_standards_decay_%        0.0
_diffrn_standards_number         75
_exptl_absorpt_coefficient_mu    0.814
_exptl_absorpt_correction_T_max  0.9201
_exptl_absorpt_correction_T_min  0.7267
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'cut irregular tabular(?)'
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.329
_refine_diff_density_min         -0.320
_refine_diff_density_rms         0.044
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.172
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         6969
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.172
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
calc w=3D1/[σ²(Fo²)+(0.0318P)²+1.0854P] where P=3D(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0834
_reflns_number_gt                6345
_reflns_number_total             6969
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b008789k.txt
_cod_data_source_block           '[Ag(3)]PF6'
_cod_original_sg_symbol_H-M      'P n a 21   '
_cod_database_code               7010420
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'
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 0.15962(4) 0.397594(18) 0.06494(6) 0.05003(17) Uani 0.90 1 d P . .
Ag2 Ag 0.1620(15) 0.3843(4) 0.0802(15) 0.047(3) Uiso 0.04 1 d P . .
Ag3 Ag 0.1555(11) 0.4086(3) 0.0582(19) 0.0374(18) Uiso 0.06 1 d P . .
P1 P 0.66172(7) 0.39614(3) 0.5564(3) 0.0578(2) Uani 1 1 d . . .
F1 F 0.6506(3) 0.39313(15) 0.3874(5) 0.1205(17) Uani 1 1 d . . .
F2 F 0.5929(3) 0.44311(9) 0.5521(7) 0.1442(14) Uani 1 1 d . . .
F3 F 0.6746(4) 0.40038(15) 0.7243(5) 0.1216(17) Uani 1 1 d . . .
F4 F 0.7293(4) 0.35031(10) 0.5621(7) 0.1614(16) Uani 1 1 d . . .
F5 F 0.5285(2) 0.37381(10) 0.5674(6) 0.1153(9) Uani 1 1 d . . .
F6 F 0.7926(3) 0.42011(14) 0.5451(5) 0.1328(12) Uani 1 1 d . . .
O1 O 0.0721(3) 0.36945(10) -0.1761(3) 0.0772(7) Uani 1 1 d . . .
O2 O 0.2215(3) 0.44313(11) -0.1767(4) 0.0700(8) Uani 1 1 d . . .
O3 O 0.2269(3) 0.44110(11) 0.3135(4) 0.0725(9) Uani 1 1 d . . .
O4 O 0.0021(3) 0.46088(9) 0.1733(3) 0.0745(7) Uani 1 1 d . . .
N1 N -0.0486(2) 0.36915(10) 0.0958(3) 0.0624(8) Uani 1 1 d . . .
N2 N 0.3816(2) 0.40759(8) 0.0652(6) 0.0613(5) Uani 1 1 d . . .
C1 C -0.0683(4) 0.33439(15) -0.0136(5) 0.0808(11) Uani 1 1 d . . .
H1A H -0.1536 0.3233 -0.0052 0.097 Uiso 1 1 calc R . .
H1B H -0.0125 0.3094 0.0065 0.097 Uiso 1 1 calc R . .
C2 C -0.0471(5) 0.34955(18) -0.1667(6) 0.0913(16) Uani 1 1 d . . .
H2A H -0.0521 0.3240 -0.2315 0.110 Uiso 1 1 calc R . .
H2B H -0.1110 0.3711 -0.1945 0.110 Uiso 1 1 calc R . .
C3 C 0.0920(6) 0.39338(17) -0.3048(4) 0.0934(15) Uani 1 1 d . . .
H3A H 0.0298 0.4170 -0.3151 0.112 Uiso 1 1 calc R . .
H3B H 0.0854 0.3733 -0.3870 0.112 Uiso 1 1 calc R . .
C4 C 0.2190(5) 0.41307(19) -0.2976(4) 0.0939(14) Uani 1 1 d . . .
H4A H 0.2811 0.3895 -0.2855 0.113 Uiso 1 1 calc R . .
H4B H 0.2375 0.4293 -0.3858 0.113 Uiso 1 1 calc R . .
C5 C 0.3407(4) 0.46079(15) -0.1438(5) 0.0769(11) Uani 1 1 d . . .
H5A H 0.3320 0.4852 -0.0748 0.092 Uiso 1 1 calc R . .
H5B H 0.3785 0.4729 -0.2306 0.092 Uiso 1 1 calc R . .
C6 C 0.4261(4) 0.42431(15) -0.0806(5) 0.0715(11) Uani 1 1 d . . .
H6A H 0.4297 0.3991 -0.1471 0.086 Uiso 1 1 calc R . .
H6B H 0.5103 0.4363 -0.0709 0.086 Uiso 1 1 calc R . .
C7 C 0.4206(5) 0.44070(17) 0.1739(6) 0.0829(13) Uani 1 1 d . . .
H7A H 0.4025 0.4706 0.1373 0.100 Uiso 1 1 calc R . .
H7B H 0.5107 0.4385 0.1862 0.100 Uiso 1 1 calc R . .
C8 C 0.3611(4) 0.43593(18) 0.3164(5) 0.0827(12) Uani 1 1 d . . .
H8A H 0.3811 0.4064 0.3550 0.099 Uiso 1 1 calc R . .
H8B H 0.3962 0.4583 0.3811 0.099 Uiso 1 1 calc R . .
C9 C 0.1811(5) 0.48530(15) 0.3015(6) 0.0906(14) Uani 1 1 d . . .
H9A H 0.2093 0.4987 0.2118 0.109 Uiso 1 1 calc R . .
H9B H 0.2118 0.5035 0.3809 0.109 Uiso 1 1 calc R . .
C10 C 0.0428(5) 0.48316(17) 0.3047(6) 0.0946(15) Uani 1 1 d . . .
H10A H 0.0148 0.4663 0.3885 0.114 Uiso 1 1 calc R . .
H10B H 0.0078 0.5133 0.3098 0.114 Uiso 1 1 calc R . .
C11 C -0.1218(4) 0.44562(14) 0.1780(5) 0.0766(11) Uani 1 1 d . . .
H11A H -0.1782 0.4699 0.1516 0.092 Uiso 1 1 calc R . .
H11B H -0.1423 0.4360 0.2752 0.092 Uiso 1 1 calc R . .
C12 C -0.1374(3) 0.40756(13) 0.0771(10) 0.0780(12) Uani 1 1 d . . .
H12A H -0.1286 0.4190 -0.0204 0.094 Uiso 1 1 calc R . .
H12B H -0.2222 0.3961 0.0869 0.094 Uiso 1 1 calc R . .
C13 C -0.0719(5) 0.34857(17) 0.2400(5) 0.0803(14) Uani 1 1 d . . .
H13A H -0.1523 0.3333 0.2376 0.096 Uiso 1 1 calc R . .
H13B H -0.0777 0.3725 0.3109 0.096 Uiso 1 1 calc R . .
C14 C 0.0266(4) 0.31550(12) 0.2887(4) 0.0673(9) Uani 1 1 d . . .
C15 C 0.0105(5) 0.26892(15) 0.2761(6) 0.0891(13) Uani 1 1 d . . .
H15 H -0.0601 0.2576 0.2298 0.107 Uiso 1 1 calc R . .
C16 C 0.0982(6) 0.23970(15) 0.3316(6) 0.0969(16) Uani 1 1 d . . .
H16 H 0.0870 0.2088 0.3209 0.116 Uiso 1 1 calc R . .
C17 C 0.2005(6) 0.25545(16) 0.4018(5) 0.0930(15) Uani 1 1 d . . .
H17 H 0.2576 0.2354 0.4421 0.112 Uiso 1 1 calc R . .
C18 C 0.2205(5) 0.30146(16) 0.4135(4) 0.0850(12) Uani 1 1 d . . .
H18 H 0.2919 0.3125 0.4590 0.102 Uiso 1 1 calc R . .
C19 C 0.1324(4) 0.33050(13) 0.3563(4) 0.0709(10) Uani 1 1 d . . .
H19 H 0.1457 0.3614 0.3640 0.085 Uiso 1 1 calc R . .
C20 C 0.4425(3) 0.36273(13) 0.0923(5) 0.0698(11) Uani 1 1 d . . .
H20A H 0.5327 0.3662 0.0842 0.084 Uiso 1 1 calc R . .
H20B H 0.4240 0.3534 0.1902 0.084 Uiso 1 1 calc R . .
C21 C 0.4005(3) 0.32643(12) -0.0096(4) 0.0620(8) Uani 1 1 d . . .
C22 C 0.2889(4) 0.30347(12) 0.0145(4) 0.0686(9) Uani 1 1 d . . .
H22 H 0.2430 0.3096 0.0975 0.082 Uiso 1 1 calc R . .
C23 C 0.2453(5) 0.27223(14) -0.0803(6) 0.0851(12) Uani 1 1 d . . .
H23 H 0.1698 0.2576 -0.0622 0.102 Uiso 1 1 calc R . .
C24 C 0.3124(7) 0.26209(17) -0.2029(6) 0.1023(18) Uani 1 1 d . . .
H24 H 0.2814 0.2411 -0.2681 0.123 Uiso 1 1 calc R . .
C25 C 0.4251(7) 0.28300(17) -0.2290(5) 0.1043(19) Uani 1 1 d . . .
H25 H 0.4713 0.2760 -0.3110 0.125 Uiso 1 1 calc R . .
C26 C 0.4687(4) 0.31460(14) -0.1314(5) 0.0792(12) Uani 1 1 d . . .
H26 H 0.5459 0.3283 -0.1479 0.095 Uiso 1 1 calc R . .
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'
Ag Ag -0.8971 1.1015 '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'
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'
P P 0.1023 0.0942 '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
N2 Ag1 N1 164.70(11) . . ?
N2 Ag1 O1 113.76(15) . . ?
N1 Ag1 O1 69.58(10) . . ?
Ag3 Ag2 N1 97(2) . . ?
Ag3 Ag2 N2 78.6(19) . . ?
N1 Ag2 N2 174.9(6) . . ?
Ag2 Ag3 N2 84(2) . . ?
Ag2 Ag3 O4 123(2) . . ?
N2 Ag3 O4 130.7(5) . . ?
Ag2 Ag3 N1 66.0(18) . . ?
N2 Ag3 N1 149.5(6) . . ?
O4 Ag3 N1 70.2(3) . . ?
Ag2 Ag3 O2 127(2) . . ?
N2 Ag3 O2 75.4(4) . . ?
O4 Ag3 O2 107.6(5) . . ?
N1 Ag3 O2 123.9(6) . . ?
F4 P1 F3 89.8(3) . . ?
F4 P1 F6 89.2(2) . . ?
F3 P1 F6 87.3(2) . . ?
F4 P1 F5 92.8(2) . . ?
F3 P1 F5 92.8(3) . . ?
F6 P1 F5 178.0(2) . . ?
F4 P1 F1 91.1(3) . . ?
F3 P1 F1 178.5(2) . . ?
F6 P1 F1 91.5(3) . . ?
F5 P1 F1 88.4(3) . . ?
F4 P1 F2 179.5(4) . . ?
F3 P1 F2 89.7(3) . . ?
F6 P1 F2 90.7(2) . . ?
F5 P1 F2 87.34(18) . . ?
F1 P1 F2 89.4(3) . . ?
C2 O1 C3 113.8(4) . . ?
C2 O1 Ag1 114.4(3) . . ?
C3 O1 Ag1 121.4(3) . . ?
C5 O2 C4 114.7(4) . . ?
C5 O2 Ag3 102.5(4) . . ?
C4 O2 Ag3 114.9(4) . . ?
C9 O3 C8 116.5(4) . . ?
C11 O4 C10 113.8(4) . . ?
C11 O4 Ag3 115.6(3) . . ?
C10 O4 Ag3 116.5(4) . . ?
C1 N1 C13 108.0(3) . . ?
C1 N1 C12 111.5(4) . . ?
C13 N1 C12 108.1(4) . . ?
C1 N1 Ag2 103.6(4) . . ?
C13 N1 Ag2 107.5(4) . . ?
C12 N1 Ag2 117.6(4) . . ?
C1 N1 Ag1 107.4(2) . . ?
C13 N1 Ag1 114.0(3) . . ?
C12 N1 Ag1 107.8(2) . . ?
Ag2 N1 Ag1 10.0(3) . . ?
C1 N1 Ag3 111.1(4) . . ?
C13 N1 Ag3 117.6(5) . . ?
C12 N1 Ag3 100.3(3) . . ?
Ag2 N1 Ag3 17.4(5) . . ?
Ag1 N1 Ag3 7.5(3) . . ?
C7 N2 C20 110.9(4) . . ?
C7 N2 C6 107.7(3) . . ?
C20 N2 C6 107.7(3) . . ?
C7 N2 Ag1 111.4(3) . . ?
C20 N2 Ag1 108.58(19) . . ?
C6 N2 Ag1 110.5(3) . . ?
C7 N2 Ag3 107.0(4) . . ?
C20 N2 Ag3 116.6(3) . . ?
C6 N2 Ag3 106.5(5) . . ?
Ag1 N2 Ag3 8.0(3) . . ?
C7 N2 Ag2 114.9(4) . . ?
C20 N2 Ag2 98.9(4) . . ?
C6 N2 Ag2 116.3(4) . . ?
Ag1 N2 Ag2 9.8(3) . . ?
Ag3 N2 Ag2 17.8(5) . . ?
N1 C1 C2 114.9(4) . . ?
O1 C2 C1 108.7(4) . . ?
O1 C3 C4 107.5(4) . . ?
O2 C4 C3 107.4(4) . . ?
O2 C5 C6 110.9(4) . . ?
N2 C6 C5 112.7(3) . . ?
N2 C7 C8 115.4(4) . . ?
O3 C8 C7 113.7(4) . . ?
O3 C9 C10 107.8(4) . . ?
O4 C10 C9 107.5(4) . . ?
O4 C11 C12 109.5(3) . . ?
C11 C12 N1 116.1(5) . . ?
N1 C13 C14 114.8(3) . . ?
C19 C14 C15 117.5(4) . . ?
C19 C14 C13 120.1(4) . . ?
C15 C14 C13 122.3(4) . . ?
C16 C15 C14 120.6(5) . . ?
C17 C16 C15 120.7(5) . . ?
C16 C17 C18 120.1(4) . . ?
C19 C18 C17 118.7(5) . . ?
C14 C19 C18 122.3(4) . . ?
C21 C20 N2 113.7(3) . . ?
C26 C21 C22 117.1(4) . . ?
C26 C21 C20 122.5(4) . . ?
C22 C21 C20 120.4(3) . . ?
C23 C22 C21 121.5(4) . . ?
C22 C23 C24 120.4(5) . . ?
C25 C24 C23 120.1(5) . . ?
C24 C25 C26 119.0(5) . . ?
C25 C26 C21 121.8(5) . . ?
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 N2 2.385(2) . ?
Ag1 N1 2.392(3) . ?
Ag1 O1 2.562(3) . ?
Ag2 Ag3 0.75(2) . ?
Ag2 N1 2.295(15) . ?
Ag2 N2 2.445(15) . ?
Ag3 N2 2.412(12) . ?
Ag3 O4 2.493(11) . ?
Ag3 N1 2.496(12) . ?
Ag3 O2 2.507(17) . ?
P1 F4 1.540(3) . ?
P1 F3 1.568(6) . ?
P1 F6 1.570(3) . ?
P1 F5 1.571(2) . ?
P1 F1 1.574(6) . ?
P1 F2 1.576(3) . ?
O1 C2 1.403(6) . ?
O1 C3 1.404(5) . ?
O2 C5 1.409(6) . ?
O2 C4 1.433(6) . ?
O3 C9 1.404(5) . ?
O3 C8 1.439(5) . ?
O4 C11 1.397(5) . ?
O4 C10 1.453(6) . ?
N1 C1 1.462(5) . ?
N1 C13 1.491(5) . ?
N1 C12 1.492(4) . ?
N2 C7 1.468(6) . ?
N2 C20 1.503(4) . ?
N2 C6 1.517(7) . ?
C1 C2 1.506(7) . ?
C3 C4 1.476(8) . ?
C5 C6 1.531(6) . ?
C7 C8 1.472(7) . ?
C9 C10 1.477(7) . ?
C11 C12 1.476(8) . ?
C13 C14 1.507(6) . ?
C14 C19 1.366(6) . ?
C14 C15 1.398(6) . ?
C15 C16 1.375(7) . ?
C16 C17 1.354(8) . ?
C17 C18 1.386(7) . ?
C18 C19 1.381(6) . ?
C20 C21 1.501(5) . ?
C21 C26 1.388(5) . ?
C21 C22 1.389(6) . ?
C22 C23 1.359(6) . ?
C23 C24 1.376(8) . ?
C24 C25 1.373(9) . ?
C25 C26 1.384(7) . ?
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
N1 Ag2 Ag3 N2 178.3(5) . . . . ?
N1 Ag2 Ag3 O4 43(2) . . . . ?
N2 Ag2 Ag3 O4 -135.0(18) . . . . ?
N2 Ag2 Ag3 N1 -178.3(5) . . . . ?
N1 Ag2 Ag3 O2 -115.4(17) . . . . ?
N2 Ag2 Ag3 O2 66.3(18) . . . . ?
N2 Ag1 O1 C2 160.1(3) . . . . ?
N1 Ag1 O1 C2 -3.8(3) . . . . ?
N2 Ag1 O1 C3 -57.3(4) . . . . ?
N1 Ag1 O1 C3 138.8(4) . . . . ?
Ag2 Ag3 O2 C5 -96(3) . . . . ?
N2 Ag3 O2 C5 -26.1(3) . . . . ?
O4 Ag3 O2 C5 102.6(5) . . . . ?
N1 Ag3 O2 C5 -179.9(4) . . . . ?
Ag2 Ag3 O2 C4 29(3) . . . . ?
N2 Ag3 O2 C4 99.0(4) . . . . ?
O4 Ag3 O2 C4 -132.4(4) . . . . ?
N1 Ag3 O2 C4 -54.9(6) . . . . ?
Ag2 Ag3 O4 C11 -52(3) . . . . ?
N2 Ag3 O4 C11 -164.3(7) . . . . ?
N1 Ag3 O4 C11 -10.5(5) . . . . ?
O2 Ag3 O4 C11 110.0(4) . . . . ?
Ag2 Ag3 O4 C10 85(3) . . . . ?
N2 Ag3 O4 C10 -26.7(11) . . . . ?
N1 Ag3 O4 C10 127.1(4) . . . . ?
O2 Ag3 O4 C10 -112.3(5) . . . . ?
Ag3 Ag2 N1 C1 117.6(19) . . . . ?
N2 Ag2 N1 C1 137(8) . . . . ?
Ag3 Ag2 N1 C13 -128.2(19) . . . . ?
N2 Ag2 N1 C13 -109(8) . . . . ?
Ag3 Ag2 N1 C12 -6(2) . . . . ?
N2 Ag2 N1 C12 13(8) . . . . ?
Ag3 Ag2 N1 Ag1 4.0(13) . . . . ?
N2 Ag2 N1 Ag1 23(6) . . . . ?
N2 Ag2 N1 Ag3 19(6) . . . . ?
N2 Ag1 N1 C1 -76.7(6) . . . . ?
O1 Ag1 N1 C1 28.8(2) . . . . ?
N2 Ag1 N1 C13 42.9(7) . . . . ?
O1 Ag1 N1 C13 148.5(3) . . . . ?
N2 Ag1 N1 C12 162.9(6) . . . . ?
O1 Ag1 N1 C12 -91.5(4) . . . . ?
N2 Ag1 N1 Ag2 -7.8(19) . . . . ?
O1 Ag1 N1 Ag2 97.8(19) . . . . ?
N2 Ag1 N1 Ag3 163(3) . . . . ?
O1 Ag1 N1 Ag3 -91(3) . . . . ?
Ag2 Ag3 N1 C1 -67(2) . . . . ?
N2 Ag3 N1 C1 -70.7(15) . . . . ?
O4 Ag3 N1 C1 150.5(3) . . . . ?
O2 Ag3 N1 C1 52.2(5) . . . . ?
Ag2 Ag3 N1 C13 58(2) . . . . ?
N2 Ag3 N1 C13 54.5(14) . . . . ?
O4 Ag3 N1 C13 -84.4(4) . . . . ?
O2 Ag3 N1 C13 177.3(4) . . . . ?
Ag2 Ag3 N1 C12 174.6(19) . . . . ?
N2 Ag3 N1 C12 171.3(13) . . . . ?
O4 Ag3 N1 C12 32.4(5) . . . . ?
O2 Ag3 N1 C12 -65.9(6) . . . . ?
N2 Ag3 N1 Ag2 -3.3(11) . . . . ?
O4 Ag3 N1 Ag2 -142(2) . . . . ?
O2 Ag3 N1 Ag2 120(2) . . . . ?
Ag2 Ag3 N1 Ag1 -5.3(17) . . . . ?
N2 Ag3 N1 Ag1 -8.6(17) . . . . ?
O4 Ag3 N1 Ag1 -147(3) . . . . ?
O2 Ag3 N1 Ag1 114(3) . . . . ?
N1 Ag1 N2 C7 -105.3(5) . . . . ?
O1 Ag1 N2 C7 155.2(3) . . . . ?
N1 Ag1 N2 C20 17.0(8) . . . . ?
O1 Ag1 N2 C20 -82.4(3) . . . . ?
N1 Ag1 N2 C6 134.9(5) . . . . ?
O1 Ag1 N2 C6 35.5(2) . . . . ?
N1 Ag1 N2 Ag3 -164(3) . . . . ?
O1 Ag1 N2 Ag3 97(3) . . . . ?
N1 Ag1 N2 Ag2 7.4(19) . . . . ?
O1 Ag1 N2 Ag2 -92.1(18) . . . . ?
Ag2 Ag3 N2 C7 -119.1(18) . . . . ?
O4 Ag3 N2 C7 9.3(10) . . . . ?
N1 Ag3 N2 C7 -116.0(13) . . . . ?
O2 Ag3 N2 C7 110.1(4) . . . . ?
Ag2 Ag3 N2 C20 6(2) . . . . ?
O4 Ag3 N2 C20 134.0(7) . . . . ?
N1 Ag3 N2 C20 8.7(16) . . . . ?
O2 Ag3 N2 C20 -125.2(4) . . . . ?
Ag2 Ag3 N2 C6 125.9(18) . . . . ?
O4 Ag3 N2 C6 -105.8(9) . . . . ?
N1 Ag3 N2 C6 128.9(13) . . . . ?
O2 Ag3 N2 C6 -5.0(3) . . . . ?
Ag2 Ag3 N2 Ag1 5.0(16) . . . . ?
O4 Ag3 N2 Ag1 133(4) . . . . ?
N1 Ag3 N2 Ag1 8.1(16) . . . . ?
O2 Ag3 N2 Ag1 -126(3) . . . . ?
O4 Ag3 N2 Ag2 128(3) . . . . ?
N1 Ag3 N2 Ag2 3.1(10) . . . . ?
O2 Ag3 N2 Ag2 -131(2) . . . . ?
Ag3 Ag2 N2 C7 67(2) . . . . ?
N1 Ag2 N2 C7 48(8) . . . . ?
Ag3 Ag2 N2 C20 -174.9(19) . . . . ?
N1 Ag2 N2 C20 166(8) . . . . ?
Ag3 Ag2 N2 C6 -60.1(19) . . . . ?
N1 Ag2 N2 C6 -80(8) . . . . ?
Ag3 Ag2 N2 Ag1 -4.1(13) . . . . ?
N1 Ag2 N2 Ag1 -24(6) . . . . ?
N1 Ag2 N2 Ag3 -20(6) . . . . ?
C13 N1 C1 C2 -179.4(4) . . . . ?
C12 N1 C1 C2 61.9(5) . . . . ?
Ag2 N1 C1 C2 -65.5(5) . . . . ?
Ag1 N1 C1 C2 -56.0(4) . . . . ?
Ag3 N1 C1 C2 -49.0(6) . . . . ?
C3 O1 C2 C1 -167.1(4) . . . . ?
Ag1 O1 C2 C1 -21.6(5) . . . . ?
N1 C1 C2 O1 52.8(6) . . . . ?
C2 O1 C3 C4 178.7(4) . . . . ?
Ag1 O1 C3 C4 35.9(5) . . . . ?
C5 O2 C4 C3 172.7(4) . . . . ?
Ag3 O2 C4 C3 54.3(6) . . . . ?
O1 C3 C4 O2 -61.3(5) . . . . ?
C4 O2 C5 C6 -70.8(5) . . . . ?
Ag3 O2 C5 C6 54.4(4) . . . . ?
C7 N2 C6 C5 -79.5(4) . . . . ?
C20 N2 C6 C5 160.9(4) . . . . ?
Ag1 N2 C6 C5 42.4(4) . . . . ?
Ag3 N2 C6 C5 35.1(5) . . . . ?
Ag2 N2 C6 C5 51.1(5) . . . . ?
O2 C5 C6 N2 -66.1(5) . . . . ?
C20 N2 C7 C8 -76.2(5) . . . . ?
C6 N2 C7 C8 166.2(4) . . . . ?
Ag1 N2 C7 C8 44.9(5) . . . . ?
Ag3 N2 C7 C8 52.0(6) . . . . ?
Ag2 N2 C7 C8 34.9(6) . . . . ?
C9 O3 C8 C7 -76.6(6) . . . . ?
N2 C7 C8 O3 -61.4(6) . . . . ?
C8 O3 C9 C10 -178.4(4) . . . . ?
C11 O4 C10 C9 163.7(4) . . . . ?
Ag3 O4 C10 C9 25.4(6) . . . . ?
O3 C9 C10 O4 -67.5(5) . . . . ?
C10 O4 C11 C12 -154.6(4) . . . . ?
Ag3 O4 C11 C12 -15.8(7) . . . . ?
O4 C11 C12 N1 54.2(6) . . . . ?
C1 N1 C12 C11 -177.3(4) . . . . ?
C13 N1 C12 C11 64.1(6) . . . . ?
Ag2 N1 C12 C11 -57.8(8) . . . . ?
Ag1 N1 C12 C11 -59.6(6) . . . . ?
Ag3 N1 C12 C11 -59.6(7) . . . . ?
C1 N1 C13 C14 71.0(5) . . . . ?
C12 N1 C13 C14 -168.1(4) . . . . ?
Ag2 N1 C13 C14 -40.3(6) . . . . ?
Ag1 N1 C13 C14 -48.3(5) . . . . ?
Ag3 N1 C13 C14 -55.7(5) . . . . ?
N1 C13 C14 C19 84.9(5) . . . . ?
N1 C13 C14 C15 -99.5(5) . . . . ?
C19 C14 C15 C16 0.7(7) . . . . ?
C13 C14 C15 C16 -175.0(5) . . . . ?
C14 C15 C16 C17 1.2(8) . . . . ?
C15 C16 C17 C18 -2.5(8) . . . . ?
C16 C17 C18 C19 1.9(7) . . . . ?
C15 C14 C19 C18 -1.3(6) . . . . ?
C13 C14 C19 C18 174.6(4) . . . . ?
C17 C18 C19 C14 0.0(6) . . . . ?
C7 N2 C20 C21 176.4(4) . . . . ?
C6 N2 C20 C21 -66.0(4) . . . . ?
Ag1 N2 C20 C21 53.7(4) . . . . ?
Ag3 N2 C20 C21 53.6(6) . . . . ?
Ag2 N2 C20 C21 55.4(5) . . . . ?
N2 C20 C21 C26 97.3(4) . . . . ?
N2 C20 C21 C22 -81.9(4) . . . . ?
C26 C21 C22 C23 -3.0(5) . . . . ?
C20 C21 C22 C23 176.3(3) . . . . ?
C21 C22 C23 C24 0.9(6) . . . . ?
C22 C23 C24 C25 1.1(7) . . . . ?
C23 C24 C25 C26 -0.8(7) . . . . ?
C24 C25 C26 C21 -1.4(7) . . . . ?
C22 C21 C26 C25 3.2(6) . . . . ?
C20 C21 C26 C25 -176.0(4) . . . . ?
