#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/04/7210403.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_7210403
loop_
_publ_author_name
'Lin, Cai-Xia'
'Kong, Xiao-Fei'
'Li, Qing-Shan'
'Zhang, Zheng-Zhi'
'Yuan, Yao-Feng'
'Xu, Feng-Bo'
_publ_section_title
;
 Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged
 by calixarene fragments: synthesis, structure and chemosensing behavior
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              6948
_journal_paper_doi               10.1039/c3ce40918j
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C20 H27 Ag F6 N4 O1.5 P'
_chemical_formula_weight         600.30
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           72
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_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            8
_cell_length_a                   12.616(4)
_cell_length_b                   18.479(5)
_cell_length_c                   20.409(6)
_cell_measurement_reflns_used    10928
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      33.7
_cell_measurement_theta_min      1.5
_cell_volume                     4758(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 14.22
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_measurement_method       'ω and φ 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  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0145
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21462
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.95
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.984
_exptl_absorpt_correction_T_max  0.8910
_exptl_absorpt_correction_T_min  0.8275
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2424
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.836
_refine_diff_density_min         -0.405
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       0.00111(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         2166
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0287
_refine_ls_R_factor_gt           0.0276
_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)+(0.0469P)²+12.0232P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0780
_refine_ls_wR_factor_ref         0.0790
_reflns_number_gt                2062
_reflns_number_total             2166
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40918j.txt
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      Ibam
_cod_original_formula_sum        'C20 H27 Ag F6 N4 O1.50 P'
_cod_database_code               7210403
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1, y+1, -z+1/2'
'x+1, -y+1, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x-1/2, -y-1/2, z'
'-x-1/2, y-1/2, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'x, -y, z+1/2'
'-x, y, 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
Ag1 Ag 1.0000 0.0000 0.166389(12) 0.02075(14) Uani 1 2 d S
O1 O 0.88868(18) 0.08028(11) 0.0000 0.0248(5) Uani 1 2 d S
N1 N 0.76257(16) -0.04188(11) 0.17599(10) 0.0236(4) Uani 1 1 d .
N2 N 0.77733(15) 0.06825(10) 0.14586(10) 0.0215(4) Uani 1 1 d .
C1 C 0.7880(2) -0.11758(13) 0.19203(14) 0.0331(6) Uani 1 1 d .
H1A H 0.7807 -0.1475 0.1527 0.050 Uiso 1 1 calc R
H1B H 0.7393 -0.1351 0.2259 0.050 Uiso 1 1 calc R
H1C H 0.8610 -0.1205 0.2082 0.050 Uiso 1 1 calc R
C2 C 0.6608(2) -0.01574(15) 0.16812(13) 0.0305(6) Uani 1 1 d .
H2 H 0.5968 -0.0418 0.1747 0.037 Uiso 1 1 calc R
C3 C 0.67002(19) 0.05398(14) 0.14931(14) 0.0289(6) Uani 1 1 d .
H3 H 0.6139 0.0867 0.1402 0.035 Uiso 1 1 calc R
C4 C 0.8352(2) 0.00942(12) 0.16280(11) 0.0204(5) Uani 1 1 d .
C5 C 0.82175(19) 0.13830(12) 0.12462(12) 0.0251(5) Uani 1 1 d .
H5A H 0.8997 0.1339 0.1210 0.030 Uiso 1 1 calc R
H5B H 0.8062 0.1754 0.1583 0.030 Uiso 1 1 calc R
C6 C 0.77730(18) 0.16297(12) 0.05959(12) 0.0215(5) Uani 1 1 d .
C7 C 0.7016(2) 0.21820(13) 0.05846(13) 0.0277(5) Uani 1 1 d .
H7 H 0.6767 0.2375 0.0988 0.033 Uiso 1 1 calc R
C8 C 0.6615(3) 0.24582(19) 0.0000 0.0316(8) Uani 1 2 d S
C9 C 0.5771(4) 0.3040(2) 0.0000 0.0487(11) Uani 1 2 d SU
H9A H 0.5124 0.2851 0.0202 0.073 Uiso 0.50 1 calc PR
H9B H 0.5621 0.3187 -0.0452 0.073 Uiso 0.50 1 calc PR
H9C H 0.6023 0.3459 0.0250 0.073 Uiso 0.50 1 calc PR
C10 C 0.8126(2) 0.13426(16) 0.0000 0.0194(7) Uani 1 2 d S
C11 C 0.8464(4) 0.00736(16) 0.0000 0.0280(8) Uani 1 2 d S
H11A H 0.9012 -0.0265 0.0147 0.042 Uiso 0.50 1 calc PR
H11B H 0.8239 -0.0056 -0.0444 0.042 Uiso 0.50 1 calc PR
H11C H 0.7854 0.0048 0.0297 0.042 Uiso 0.50 1 calc PR
P1 P 0.0000 0.27872(5) 0.2500 0.0214(2) Uani 1 2 d S
F1 F 0.0000 0.36508(13) 0.2500 0.0492(8) Uani 1 2 d S
F2 F 0.0000 0.19263(14) 0.2500 0.0636(10) Uani 1 2 d S
F3 F 0.04005(19) 0.27913(14) 0.32319(9) 0.0681(6) Uani 1 1 d .
F4 F 0.12045(12) 0.27871(8) 0.22532(10) 0.0400(4) Uani 1 1 d .
C12 C 0.5444(17) -0.1098(8) 0.0000 0.097(5) Uani 0.50 2 d SPDU
C13 C 0.545(2) -0.0285(9) -0.0133(18) 0.073(4) Uani 0.25 1 d PDU
O2 O 0.4710(14) 0.0150(6) 0.0191(10) 0.062(3) Uani 0.25 1 d PDU
C14 C 0.4768(9) 0.0874(6) 0.0000 0.057(2) Uani 0.50 2 d SPDU
C15 C 0.3915(11) 0.1388(6) 0.0263(7) 0.060(3) Uani 0.25 1 d PDU
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
C4 Ag1 C4 175.98(13) . 2_755
C10 O1 C11 114.5(3) . .
C4 N1 C2 111.3(2) . .
C4 N1 C1 124.4(2) . .
C2 N1 C1 124.1(2) . .
C4 N2 C3 111.2(2) . .
C4 N2 C5 125.1(2) . .
C3 N2 C5 123.7(2) . .
N1 C1 H1A 109.5 . .
N1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
N1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C2 N1 106.7(2) . .
C3 C2 H2 126.7 . .
N1 C2 H2 126.7 . .
C2 C3 N2 106.3(2) . .
C2 C3 H3 126.8 . .
N2 C3 H3 126.8 . .
N1 C4 N2 104.5(2) . .
N1 C4 Ag1 127.75(18) . .
N2 C4 Ag1 127.79(18) . .
N2 C5 C6 112.44(19) . .
N2 C5 H5A 109.1 . .
C6 C5 H5A 109.1 . .
N2 C5 H5B 109.1 . .
C6 C5 H5B 109.1 . .
H5A C5 H5B 107.8 . .
C7 C6 C10 118.7(2) . .
C7 C6 C5 119.2(2) . .
C10 C6 C5 122.1(2) . .
C8 C7 C6 122.0(2) . .
C8 C7 H7 119.0 . .
C6 C7 H7 119.0 . .
C7 C8 C7 117.9(3) . 10
C7 C8 C9 121.06(16) . .
C7 C8 C9 121.06(16) 10 .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
O1 C10 C6 119.58(14) . 10
O1 C10 C6 119.58(14) . .
C6 C10 C6 120.7(3) 10 .
O1 C11 H11A 109.5 . .
O1 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
O1 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
F3 P1 F3 179.5(2) . 7_445
F3 P1 F2 90.27(10) . .
F3 P1 F2 90.27(10) 7_445 .
F3 P1 F1 89.73(10) . .
F3 P1 F1 89.73(10) 7_445 .
F2 P1 F1 180.0 . .
F3 P1 F4 90.35(11) . 7_445
F3 P1 F4 89.65(11) 7_445 7_445
F2 P1 F4 89.99(6) . 7_445
F1 P1 F4 90.01(6) . 7_445
F3 P1 F4 89.65(11) . .
F3 P1 F4 90.35(11) 7_445 .
F2 P1 F4 89.99(6) . .
F1 P1 F4 90.01(6) . .
F4 P1 F4 179.98(18) 7_445 .
C14 C12 C15 143(3) 9_655 2_655
C14 C12 C15 143(3) 9_655 9_655
C15 C12 C15 57.9(19) 2_655 9_655
C14 C12 C13 35(3) 9_655 10
C15 C12 C13 112.7(16) 2_655 10
C15 C12 C13 124(2) 9_655 10
C14 C12 C13 35(3) 9_655 .
C15 C12 C13 124(2) 2_655 .
C15 C12 C13 112.7(16) 9_655 .
C13 C12 C13 21(3) 10 .
C14 C12 O2 29(3) 9_655 2_655
C15 C12 O2 116.3(16) 2_655 2_655
C15 C12 O2 131(2) 9_655 2_655
C13 C12 O2 6.8(19) 10 2_655
C13 C12 O2 23.6(7) . 2_655
C14 C12 O2 29(3) 9_655 9_655
C15 C12 O2 131(2) 2_655 9_655
C15 C12 O2 116.3(16) 9_655 9_655
C13 C12 O2 23.6(7) 10 9_655
C13 C12 O2 6.8(19) . 9_655
O2 C12 O2 24.9(14) 2_655 9_655
O2 C13 C13 110(8) 9_655 10
O2 C13 O2 84(8) 9_655 2_655
C13 C13 O2 26(2) 10 2_655
O2 C13 C14 129(9) 9_655 9_655
C13 C13 C14 76.4(18) 10 9_655
O2 C13 C14 93(2) 2_655 9_655
O2 C13 O2 18(5) 9_655 10
C13 C13 O2 95(3) 10 10
O2 C13 O2 70(3) 2_655 10
C14 C13 O2 117.0(19) 9_655 10
O2 C13 O2 49(7) 9_655 .
C13 C13 O2 61.8(9) 10 .
O2 C13 O2 36(2) 2_655 .
C14 C13 O2 105.7(15) 9_655 .
O2 C13 O2 34(2) 10 .
O2 C13 C12 141(9) 9_655 .
C13 C13 C12 79.7(14) 10 .
O2 C13 C12 100(2) 2_655 .
C14 C13 C12 14.0(12) 9_655 .
O2 C13 C12 130.7(15) 10 .
O2 C13 C12 118.6(11) . .
O2 C13 C13 22(7) 9_655 2_655
C13 C13 C13 90.000(3) 10 2_655
O2 C13 C13 64(2) 2_655 2_655
C14 C13 C13 118(3) 9_655 2_655
O2 C13 C13 6(2) 10 2_655
O2 C13 C13 28.3(10) . 2_655
C12 C13 C13 132(3) . 2_655
O2 C13 C13 40(6) 9_655 9_655
C13 C13 C13 71(3) 10 9_655
O2 C13 C13 45(2) 2_655 9_655
C14 C13 C13 111(2) 9_655 9_655
O2 C13 C13 24.9(8) 10 9_655
O2 C13 C13 9.1(17) . 9_655
C12 C13 C13 124.7(19) . 9_655
C13 C13 C13 19(3) 2_655 9_655
C13 O2 C13 44(9) 9_655 2_655
C13 O2 O2 70(8) 9_655 10
C13 O2 O2 26(2) 2_655 10
C13 O2 O2 156(7) 9_655 2_655
C13 O2 O2 115(3) 2_655 2_655
O2 O2 O2 90.000(2) 10 2_655
C13 O2 O2 118(9) 9_655 9_655
C13 O2 O2 75(2) 2_655 9_655
O2 O2 O2 49.7(19) 10 9_655
O2 O2 O2 40.3(19) 2_655 9_655
C13 O2 C13 153(9) 9_655 10
C13 O2 C13 110(3) 2_655 10
O2 O2 C13 85(3) 10 10
O2 O2 C13 6.5(19) 2_655 10
O2 O2 C13 35.0(13) 9_655 10
C13 O2 C13 131(7) 9_655 .
C13 O2 C13 87(3) 2_655 .
O2 O2 C13 61.8(9) 10 .
O2 O2 C13 28.4(11) 2_655 .
O2 O2 C13 12(2) 9_655 .
C13 O2 C13 23(3) 10 .
C13 O2 C14 40(7) 9_655 .
C13 O2 C14 56(2) 2_655 .
O2 O2 C14 73.8(9) 10 .
O2 O2 C14 122(2) 2_655 .
O2 O2 C14 103.2(17) 9_655 .
C13 O2 C14 123.8(16) 10 .
C13 O2 C14 112.6(9) . .
C13 O2 C12 32(7) 9_655 9_655
C13 O2 C12 56.3(17) 2_655 9_655
O2 O2 C12 77.6(7) 10 9_655
O2 O2 C12 132(3) 2_655 9_655
O2 O2 C12 111.9(17) 9_655 9_655
C13 O2 C12 133.7(17) 10 9_655
C13 O2 C12 121.9(9) . 9_655
C14 O2 C12 9.9(9) . 9_655
C12 C14 C13 131(4) 9_655 2_655
C12 C14 C13 131(4) 9_655 9_655
C13 C14 C13 27(4) 2_655 9_655
C12 C14 O2 141(3) 9_655 .
C13 C14 O2 31.7(10) 2_655 .
C13 C14 O2 11(2) 9_655 .
C12 C14 O2 141(3) 9_655 10
C13 C14 O2 11(2) 2_655 10
C13 C14 O2 31.7(10) 9_655 10
O2 C14 O2 32.3(18) . 10
C12 C14 C15 26(2) 9_655 10
C13 C14 C15 109.5(15) 2_655 10
C13 C14 C15 120(2) 9_655 10
O2 C14 C15 130.8(12) . 10
O2 C14 C15 117.3(8) 10 10
C12 C14 C15 26(2) 9_655 .
C13 C14 C15 120(2) 2_655 .
C13 C14 C15 109.5(15) 9_655 .
O2 C14 C15 117.3(8) . .
O2 C14 C15 130.8(12) 10 .
C15 C14 C15 41.0(12) 10 .
C15 C15 C12 61.1(9) 10 9_655
C15 C15 C14 69.5(6) 10 .
C12 C15 C14 11.1(9) 9_655 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C4 2.088(3) .
Ag1 C4 2.088(3) 2_755
O1 C10 1.384(4) .
O1 C11 1.449(4) .
N1 C4 1.346(3) .
N1 C2 1.381(4) .
N1 C1 1.472(3) .
N2 C4 1.354(3) .
N2 C3 1.381(3) .
N2 C5 1.476(3) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.349(4) .
C2 H2 0.9500 .
C3 H3 0.9500 .
C5 C6 1.511(3) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.398(3) .
C6 C10 1.400(3) .
C7 C8 1.393(3) .
C7 H7 0.9500 .
C8 C7 1.393(3) 10
C8 C9 1.513(5) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C6 1.400(3) 10
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
P1 F3 1.5769(19) .
P1 F3 1.5769(19) 7_445
P1 F2 1.591(3) .
P1 F1 1.596(3) .
P1 F4 1.6010(15) 7_445
P1 F4 1.6010(15) .
C12 C14 0.493(19) 9_655
C12 C15 1.108(18) 2_655
C12 C15 1.108(18) 9_655
C12 C13 1.527(10) 10
C12 C13 1.527(10) .
C12 O2 1.81(2) 2_655
C12 O2 1.81(2) 9_655
C13 O2 0.34(4) 9_655
C13 C13 0.54(7) 10
C13 O2 0.735(19) 2_655
C13 C14 1.16(3) 9_655
C13 O2 1.238(15) 10
C13 O2 1.398(10) .
C13 C13 1.55(4) 2_655
C13 C13 1.64(3) 9_655
O2 C13 0.34(4) 9_655
O2 C13 0.735(19) 2_655
O2 O2 0.78(4) 10
O2 O2 0.92(3) 2_655
O2 O2 1.20(3) 9_655
O2 C13 1.238(15) 10
O2 C14 1.396(9) .
O2 C12 1.81(2) 9_655
C14 C12 0.493(19) 9_655
C14 C13 1.16(3) 2_655
C14 C13 1.16(3) 9_655
C14 O2 1.396(9) 10
C14 C15 1.532(9) 10
C14 C15 1.532(9) .
C15 C15 1.07(3) 10
C15 C12 1.108(18) 9_655
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
C4 N1 C2 C3 0.1(3) . .
C1 N1 C2 C3 -175.7(2) . .
N1 C2 C3 N2 0.3(3) . .
C4 N2 C3 C2 -0.7(3) . .
C5 N2 C3 C2 177.7(2) . .
C2 N1 C4 N2 -0.6(3) . .
C1 N1 C4 N2 175.3(2) . .
C2 N1 C4 Ag1 -179.79(18) . .
C1 N1 C4 Ag1 -4.0(3) . .
C3 N2 C4 N1 0.8(3) . .
C5 N2 C4 N1 -177.6(2) . .
C3 N2 C4 Ag1 -179.98(18) . .
C5 N2 C4 Ag1 1.6(3) . .
C4 Ag1 C4 N1 106.3(2) 2_755 .
C4 Ag1 C4 N2 -72.8(2) 2_755 .
C4 N2 C5 C6 126.2(2) . .
C3 N2 C5 C6 -52.0(3) . .
N2 C5 C6 C7 104.3(2) . .
N2 C5 C6 C10 -78.3(3) . .
C10 C6 C7 C8 -0.8(4) . .
C5 C6 C7 C8 176.7(3) . .
C6 C7 C8 C7 -1.9(5) . 10
C6 C7 C8 C9 178.1(3) . .
C11 O1 C10 C6 -92.2(2) . 10
C11 O1 C10 C6 92.2(2) . .
C7 C6 C10 O1 179.0(2) . .
C5 C6 C10 O1 1.6(4) . .
C7 C6 C10 C6 3.5(4) . 10
C5 C6 C10 C6 -173.88(17) . 10
C14 C12 C13 O2 -34(12) 9_655 9_655
C15 C12 C13 O2 -171(14) 2_655 9_655
C15 C12 C13 O2 123(13) 9_655 9_655
C13 C12 C13 O2 -109(14) 10 9_655
O2 C12 C13 O2 -93(13) 2_655 9_655
C14 C12 C13 C13 75(3) 9_655 10
C15 C12 C13 C13 -61.9(14) 2_655 10
C15 C12 C13 C13 -127.5(17) 9_655 10
O2 C12 C13 C13 16(4) 2_655 10
O2 C12 C13 C13 109(14) 9_655 10
C14 C12 C13 O2 59(3) 9_655 2_655
C15 C12 C13 O2 -78(4) 2_655 2_655
C15 C12 C13 O2 -144(4) 9_655 2_655
C13 C12 C13 O2 -16(4) 10 2_655
O2 C12 C13 O2 93(13) 9_655 2_655
C15 C12 C13 C14 -137(2) 2_655 9_655
C15 C12 C13 C14 158(3) 9_655 9_655
C13 C12 C13 C14 -75(3) 10 9_655
O2 C12 C13 C14 -59(3) 2_655 9_655
O2 C12 C13 C14 34(12) 9_655 9_655
C14 C12 C13 O2 -14(3) 9_655 10
C15 C12 C13 O2 -150(4) 2_655 10
C15 C12 C13 O2 144(4) 9_655 10
C13 C12 C13 O2 -88(5) 10 10
O2 C12 C13 O2 -72(4) 2_655 10
O2 C12 C13 O2 21(10) 9_655 10
C14 C12 C13 O2 25(2) 9_655 .
C15 C12 C13 O2 -112(2) 2_655 .
C15 C12 C13 O2 -177.3(18) 9_655 .
C13 C12 C13 O2 -50(2) 10 .
O2 C12 C13 O2 -34(3) 2_655 .
O2 C12 C13 O2 59(13) 9_655 .
C14 C12 C13 C13 -5.9(17) 9_655 2_655
C15 C12 C13 C13 -142.6(19) 2_655 2_655
C15 C12 C13 C13 151.8(18) 9_655 2_655
C13 C12 C13 C13 -80.7(19) 10 2_655
O2 C12 C13 C13 -64(3) 2_655 2_655
O2 C12 C13 C13 29(13) 9_655 2_655
C14 C12 C13 C13 17(3) 9_655 9_655
C15 C12 C13 C13 -120(4) 2_655 9_655
C15 C12 C13 C13 175(4) 9_655 9_655
C13 C12 C13 C13 -58(5) 10 9_655
O2 C12 C13 C13 -41(3) 2_655 9_655
O2 C12 C13 C13 52(10) 9_655 9_655
O2 C13 O2 C13 0.000(16) 9_655 9_655
C13 C13 O2 C13 167(10) 10 9_655
O2 C13 O2 C13 159(15) 2_655 9_655
C14 C13 O2 C13 -128(12) 9_655 9_655
O2 C13 O2 C13 -13(10) 10 9_655
C12 C13 O2 C13 -134(12) . 9_655
C13 C13 O2 C13 -8(7) 2_655 9_655
O2 C13 O2 C13 8(7) 9_655 2_655
C13 C13 O2 C13 175(3) 10 2_655
O2 C13 O2 C13 168(8) 2_655 2_655
C14 C13 O2 C13 -120(5) 9_655 2_655
O2 C13 O2 C13 -5(3) 10 2_655
C12 C13 O2 C13 -126(5) . 2_655
C13 C13 O2 C13 8(7) 9_655 2_655
O2 C13 O2 O2 13(10) 9_655 10
C13 C13 O2 O2 180.000(9) 10 10
O2 C13 O2 O2 172(5) 2_655 10
C14 C13 O2 O2 -115(3) 9_655 10
C12 C13 O2 O2 -121(3) . 10
C13 C13 O2 O2 5(3) 2_655 10
C13 C13 O2 O2 13(10) 9_655 10
O2 C13 O2 O2 -159(15) 9_655 2_655
C13 C13 O2 O2 8(5) 10 2_655
C14 C13 O2 O2 72(4) 9_655 2_655
O2 C13 O2 O2 -172(5) 10 2_655
C12 C13 O2 O2 66(4) . 2_655
C13 C13 O2 O2 -168(8) 2_655 2_655
C13 C13 O2 O2 -159(15) 9_655 2_655
C13 C13 O2 O2 167(10) 10 9_655
O2 C13 O2 O2 159(15) 2_655 9_655
C14 C13 O2 O2 -128(12) 9_655 9_655
O2 C13 O2 O2 -13(10) 10 9_655
C12 C13 O2 O2 -134(12) . 9_655
C13 C13 O2 O2 -8(7) 2_655 9_655
C13 C13 O2 O2 0.000(16) 9_655 9_655
O2 C13 O2 C13 -167(10) 9_655 10
O2 C13 O2 C13 -8(5) 2_655 10
C14 C13 O2 C13 65(3) 9_655 10
O2 C13 O2 C13 180.000(8) 10 10
C12 C13 O2 C13 59(3) . 10
C13 C13 O2 C13 -175(3) 2_655 10
C13 C13 O2 C13 -167(10) 9_655 10
O2 C13 O2 C14 -43(10) 9_655 .
C13 C13 O2 C14 124.4(10) 10 .
O2 C13 O2 C14 117(5) 2_655 .
C14 C13 O2 C14 -171(3) 9_655 .
O2 C13 O2 C14 -55.6(10) 10 .
C12 C13 O2 C14 -177(3) . .
C13 C13 O2 C14 -51(3) 2_655 .
C13 C13 O2 C14 -43(10) 9_655 .
O2 C13 O2 C12 -39(10) 9_655 9_655
C13 C13 O2 C12 128.4(10) 10 9_655
O2 C13 O2 C12 121(5) 2_655 9_655
C14 C13 O2 C12 -167(3) 9_655 9_655
O2 C13 O2 C12 -51.6(10) 10 9_655
C12 C13 O2 C12 -173(3) . 9_655
C13 C13 O2 C12 -47(3) 2_655 9_655
C13 C13 O2 C12 -39(10) 9_655 9_655
C13 O2 C14 C12 33(14) 9_655 9_655
C13 O2 C14 C12 90(5) 2_655 9_655
O2 O2 C14 C12 111(3) 10 9_655
O2 O2 C14 C12 -170(3) 2_655 9_655
O2 O2 C14 C12 151(3) 9_655 9_655
C13 O2 C14 C12 -177(3) 10 9_655
C13 O2 C14 C12 160(3) . 9_655
C13 O2 C14 C13 -57(15) 9_655 2_655
O2 O2 C14 C13 21(4) 10 2_655
O2 O2 C14 C13 100(3) 2_655 2_655
O2 O2 C14 C13 61(2) 9_655 2_655
C13 O2 C14 C13 93(3) 10 2_655
C13 O2 C14 C13 70(5) . 2_655
C12 O2 C14 C13 -90(5) 9_655 2_655
C13 O2 C14 C13 57(15) 2_655 9_655
O2 O2 C14 C13 78(12) 10 9_655
O2 O2 C14 C13 157(13) 2_655 9_655
O2 O2 C14 C13 118(14) 9_655 9_655
C13 O2 C14 C13 150(15) 10 9_655
C13 O2 C14 C13 127(12) . 9_655
C12 O2 C14 C13 -33(14) 9_655 9_655
C13 O2 C14 O2 -78(12) 9_655 10
C13 O2 C14 O2 -21(4) 2_655 10
O2 O2 C14 O2 79.4(14) 2_655 10
O2 O2 C14 O2 41(3) 9_655 10
C13 O2 C14 O2 72(3) 10 10
C13 O2 C14 O2 49.2(10) . 10
C12 O2 C14 O2 -111(3) 9_655 10
C13 O2 C14 C15 -1(13) 9_655 10
C13 O2 C14 C15 56(4) 2_655 10
O2 O2 C14 C15 76.6(11) 10 10
O2 O2 C14 C15 156.0(12) 2_655 10
O2 O2 C14 C15 117(2) 9_655 10
C13 O2 C14 C15 148(3) 10 10
C13 O2 C14 C15 125.8(16) . 10
C12 O2 C14 C15 -34(3) 9_655 10
C13 O2 C14 C15 46(13) 9_655 .
C13 O2 C14 C15 103(4) 2_655 .
O2 O2 C14 C15 124.1(11) 10 .
O2 O2 C14 C15 -156.5(12) 2_655 .
O2 O2 C14 C15 165(2) 9_655 .
C13 O2 C14 C15 -164(3) 10 .
C13 O2 C14 C15 173.2(13) . .
C12 O2 C14 C15 13(3) 9_655 .
C12 C14 C15 C15 39(6) 9_655 10
C13 C14 C15 C15 -85.7(19) 2_655 10
C13 C14 C15 C15 -113(2) 9_655 10
O2 C14 C15 C15 -121.9(13) . 10
O2 C14 C15 C15 -86.0(13) 10 10
C13 C14 C15 C12 -124(7) 2_655 9_655
C13 C14 C15 C12 -152(7) 9_655 9_655
O2 C14 C15 C12 -161(7) . 9_655
O2 C14 C15 C12 -125(6) 10 9_655
C15 C14 C15 C12 -39(6) 10 9_655
