#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:05:52 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178801 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/55/4105592.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_4105592
loop_
_publ_author_name
'Han-Yuan Gong'
'Brett M. Rambo'
'Elizabeth Karnas'
'Vincent M. Lynch'
'Karin M. Keller'
'Jonathan L. Sessler'
_publ_section_title
;
 Environmentally Responsive Threading, Dethreading, and Fixation of
 Anion-Induced Pseudorotaxanes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1526
_journal_page_last               1533
_journal_paper_doi               10.1021/ja109102k
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'C74 H52 Ag2 N10 O28'
_chemical_formula_weight         1745.00
_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                116.200(3)
_cell_angle_beta                 91.130(3)
_cell_angle_gamma                113.540(3)
_cell_formula_units_Z            1
_cell_length_a                   11.431(2)
_cell_length_b                   13.858(3)
_cell_length_c                   15.183(3)
_cell_measurement_reflns_used    6488
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.54
_cell_volume                     1921.4(7)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device
;
Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_method       dtprofit.ref
_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  0.0592
_diffrn_reflns_av_sigmaI/netI    0.0889
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15348
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    0.599
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5027
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_description       prism
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.304
_exptl_crystal_size_mid          0.153
_exptl_crystal_size_min          0.086
_refine_diff_density_max         2.056
_refine_diff_density_min         -1.890
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     561
_refine_ls_number_reflns         6488
_refine_ls_number_restraints     264
_refine_ls_restrained_S_all      0.961
_refine_ls_R_factor_all          0.1240
_refine_ls_R_factor_gt           0.0925
_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)+(0.0500P)²+15.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1959
_refine_ls_wR_factor_ref         0.2209
_reflns_number_gt                4353
_reflns_number_total             6488
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja109102k_si_004.cif
_cod_data_source_block           c
_cod_database_code               4105592
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 1.46326(9) 1.70136(10) 0.99970(5) 0.1038(5) Uani 1 1 d . . .
N1 N 1.8684(5) 1.6264(5) 0.8476(4) 0.0372(13) Uani 1 1 d U . .
N2 N 1.7025(5) 1.4607(5) 0.7371(4) 0.0347(13) Uani 1 1 d U . .
N3 N 1.5527(5) 1.3125(5) 0.5856(4) 0.0322(12) Uani 1 1 d U . .
N4 N 1.4170(5) 1.1697(5) 0.4248(4) 0.0345(13) Uani 1 1 d U . .
N5 N 1.3335(6) 1.0486(5) 0.2650(4) 0.0391(14) Uani 1 1 d U . .
C1 C 1.7389(7) 1.5647(6) 0.8247(5) 0.0388(16) Uani 1 1 d U . .
H1A H 1.6828 1.5886 0.8623 0.047 Uiso 1 1 calc R . .
C2 C 1.9169(7) 1.5623(7) 0.7729(6) 0.050(2) Uani 1 1 d U . .
H2A H 2.0047 1.5856 0.7709 0.060 Uiso 1 1 calc R . .
C3 C 1.8130(7) 1.4598(7) 0.7036(6) 0.051(2) Uani 1 1 d U . .
H3A H 1.8156 1.3999 0.6441 0.062 Uiso 1 1 calc R . .
C4 C 1.5685(6) 1.3719(6) 0.6844(5) 0.0317(14) Uani 1 1 d U . .
C5 C 1.4707(6) 1.3555(6) 0.7358(5) 0.0349(15) Uani 1 1 d U . .
H5A H 1.4885 1.3987 0.8059 0.042 Uiso 1 1 calc R . .
C6 C 1.3435(7) 1.2710(6) 0.6772(5) 0.0382(16) Uani 1 1 d U . .
H6A H 1.2734 1.2572 0.7079 0.046 Uiso 1 1 calc R . .
C7 C 1.3223(6) 1.2078(6) 0.5732(5) 0.0345(15) Uani 1 1 d U . .
H7A H 1.2384 1.1516 0.5324 0.041 Uiso 1 1 calc R . .
C8 C 1.4297(7) 1.2311(6) 0.5324(5) 0.0329(15) Uani 1 1 d U . .
C9 C 1.3056(7) 1.0789(6) 0.3554(5) 0.0385(16) Uani 1 1 d U . .
H9A H 1.2245 1.0438 0.3682 0.046 Uiso 1 1 calc R . .
C10 C 1.5163(7) 1.1958(6) 0.3757(5) 0.0377(16) Uani 1 1 d U . .
H10A H 1.6033 1.2539 0.4062 0.045 Uiso 1 1 calc R . .
C11 C 1.4644(7) 1.1223(6) 0.2764(5) 0.0392(16) Uani 1 1 d U . .
H11A H 1.5077 1.1208 0.2250 0.047 Uiso 1 1 calc R . .
C12 C 1.2324(8) 0.9617(7) 0.1686(5) 0.0481(19) Uani 1 1 d U . .
H12A H 1.1617 0.9008 0.1773 0.058 Uiso 1 1 calc R . .
H12B H 1.2708 0.9215 0.1170 0.058 Uiso 1 1 calc R . .
C13 C 1.1787(6) 1.0267(6) 0.1358(5) 0.0355(15) Uani 1 1 d U . .
C14 C 1.0884(7) 1.0609(6) 0.1820(5) 0.0407(17) Uani 1 1 d U . .
H14A H 1.0560 1.0372 0.2287 0.049 Uiso 1 1 calc R . .
C15 C 1.0453(6) 1.1299(7) 0.1601(5) 0.0412(17) Uani 1 1 d U . .
H15A H 0.9852 1.1532 0.1923 0.049 Uiso 1 1 calc R . .
C16 C 1.0933(6) 1.1645(6) 0.0884(4) 0.0323(14) Uani 1 1 d U . .
C17 C 1.1803(6) 1.1273(6) 0.0398(4) 0.0341(15) Uani 1 1 d U . .
H17A H 1.2104 1.1479 -0.0089 0.041 Uiso 1 1 calc R . .
C18 C 1.2230(7) 1.0584(6) 0.0639(4) 0.0373(16) Uani 1 1 d U . .
H18A H 1.2819 1.0337 0.0312 0.045 Uiso 1 1 calc R . .
C19 C 1.9455(6) 1.7522(6) 0.9307(5) 0.0390(16) Uani 1 1 d U . .
H19A H 2.0385 1.7771 0.9345 0.047 Uiso 1 1 calc R . .
H19B H 1.9289 1.7570 0.9946 0.047 Uiso 1 1 calc R . .
C20 C 1.6804(7) 2.0975(6) 1.5498(5) 0.0403(16) Uani 1 1 d U . .
H20A H 1.7561 2.1140 1.5256 0.048 Uiso 1 1 calc R . .
C21 C 1.5562(6) 2.0120(6) 1.4806(4) 0.0295(14) Uani 1 1 d U . .
C22 C 1.5426(7) 1.9508(6) 1.3745(5) 0.0353(15) Uani 1 1 d U . .
H22A H 1.6170 1.9673 1.3488 0.042 Uiso 1 1 calc R . .
C23 C 1.4221(7) 1.8678(6) 1.3092(5) 0.0380(16) Uani 1 1 d U . .
C24 C 1.3102(7) 1.8440(6) 1.3482(5) 0.0381(16) Uani 1 1 d U . .
H24A H 1.2282 1.7877 1.3042 0.046 Uiso 1 1 calc R . .
C25 C 1.4068(9) 1.7975(8) 1.1966(6) 0.050(2) Uani 1 1 d U . .
C26 C 1.4303(6) 1.6010(6) 0.7787(5) 0.0306(14) Uani 1 1 d U . .
C27 C 1.6115(3) 1.6420(3) 0.6855(2) 0.0293(14) Uani 1 1 d U . .
H27A H 1.6705 1.6992 0.7478 0.035 Uiso 1 1 calc R . .
C28 C 1.4768(3) 1.5758(3) 0.6813(2) 0.0269(13) Uani 1 1 d RU . .
C29 C 1.3913(3) 1.4901(3) 0.5893(2) 0.0272(13) Uani 1 1 d RU . .
H29A H 1.3038 1.4461 0.5868 0.033 Uiso 1 1 calc R . .
C30 C 1.4326(6) 1.4665(5) 0.4977(4) 0.0256(13) Uani 1 1 d U . .
C31 C 1.3457(4) 1.3777(4) 0.4005(3) 0.0291(14) Uani 1 1 d U . .
H31A H 1.2579 1.3323 0.3962 0.035 Uiso 1 1 calc R . .
C32 C 0.8772(4) 1.2736(4) 0.3844(3) 0.0404(17) Uani 1 1 d RU . .
H32A H 0.8242 1.1956 0.3321 0.048 Uiso 1 1 calc R . .
C33 C 0.9636(6) 1.2924(7) 0.4658(5) 0.0404(17) Uani 1 1 d U . .
C34 C 1.0418(6) 1.4076(6) 0.5415(5) 0.0391(16) Uani 1 1 d U . .
H34A H 1.0956 1.4190 0.5956 0.047 Uiso 1 1 calc R . .
C35 C 1.0441(6) 1.5092(6) 0.5408(5) 0.0360(15) Uani 1 1 d U . .
C36 C 1.1281(6) 1.6304(7) 0.6172(5) 0.0413(17) Uani 1 1 d U . .
H36A H 1.1877 1.6443 0.6692 0.050 Uiso 1 1 calc R . .
C37 C 0.9684(7) 1.1853(7) 0.4668(6) 0.0408(17) Uani 1 1 d U . .
O1 O 1.3038(8) 1.7071(8) 1.1445(5) 0.112(3) Uani 1 1 d U . .
O1W O 1.803(2) 1.729(2) 1.1243(15) 0.100(7) Uani 0.50 1 d PU A 2
O1W' O 1.891(3) 1.713(2) 1.1248(16) 0.166(13) Uani 0.50 1 d P A 2
O2 O 1.5014(7) 1.8296(7) 1.1624(4) 0.079(2) Uani 1 1 d . . .
O2WA O 1.0890(13) 1.6321(13) 1.0232(10) 0.104(4) Uani 0.60 1 d P B 1
O2WB O 1.028(3) 1.633(3) 1.090(2) 0.050(7) Uani 0.20 1 d P C 2
O2WC O 1.056(4) 1.570(3) 1.109(3) 0.105(17) Uani 0.20 1 d P D 3
O3 O 1.3096(4) 1.5690(4) 0.7730(3) 0.0397(11) Uani 1 1 d . . .
O3W O 1.6664(14) 1.5029(11) 0.9843(9) 0.067(3) Uani 0.50 1 d P E 1
O3W' O 1.5730(16) 1.5132(12) 0.9967(9) 0.073(4) Uani 0.50 1 d P . 2
O4 O 1.5174(4) 1.6512(4) 0.8580(3) 0.0373(11) Uani 1 1 d . . .
O4W O 1.9078(6) 1.6367(6) 1.2470(5) 0.0754(18) Uani 1 1 d . . .
O5 O 1.0347(5) 1.2055(5) 0.5466(4) 0.0509(13) Uani 1 1 d . . .
O5W O 0.9643(5) 1.0525(5) 0.6271(4) 0.0524(13) Uani 1 1 d . . .
O6 O 0.9107(5) 1.0839(5) 0.3882(4) 0.0521(13) Uani 1 1 d . . .
O6W O 1.4452(16) 1.9580(15) 0.9379(11) 0.092(5) Uani 0.50 1 d P . 1
O6W' O 1.3567(13) 1.9119(12) 0.8817(10) 0.072(4) Uani 0.50 1 d P F 2
O7W O 1.7487(13) 1.9690(14) 1.1906(9) 0.070(4) Uani 0.50 1 d P G 1
O7W' O 1.7785(13) 1.9097(14) 1.1998(9) 0.068(4) Uani 0.50 1 d P H 2
O8W O 1.2322(7) 1.7236(7) 0.9116(6) 0.094(2) Uani 1 1 d . . .
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'
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'
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
O4 Ag1 O2 151.5(2) . .
C1 N1 C2 109.0(6) . .
C1 N1 C19 124.7(6) . .
C2 N1 C19 125.5(6) . .
C1 N2 C3 108.6(6) . .
C1 N2 C4 124.8(6) . .
C3 N2 C4 126.4(5) . .
C4 N3 C8 115.7(6) . .
C9 N4 C10 108.8(6) . .
C9 N4 C8 125.4(6) . .
C10 N4 C8 125.8(6) . .
C9 N5 C11 109.6(6) . .
C9 N5 C12 123.3(6) . .
C11 N5 C12 126.5(6) . .
N1 C1 N2 108.0(6) . .
N1 C1 H1A 126.0 . .
N2 C1 H1A 126.0 . .
C3 C2 N1 107.2(6) . .
C3 C2 H2A 126.4 . .
N1 C2 H2A 126.4 . .
C2 C3 N2 107.1(6) . .
C2 C3 H3A 126.4 . .
N2 C3 H3A 126.4 . .
N3 C4 C5 125.8(6) . .
N3 C4 N2 113.0(6) . .
C5 C4 N2 121.2(6) . .
C4 C5 C6 116.6(6) . .
C4 C5 H5A 121.7 . .
C6 C5 H5A 121.7 . .
C7 C6 C5 119.5(6) . .
C7 C6 H6A 120.3 . .
C5 C6 H6A 120.3 . .
C8 C7 C6 117.6(6) . .
C8 C7 H7A 121.2 . .
C6 C7 H7A 121.2 . .
N3 C8 C7 124.8(6) . .
N3 C8 N4 113.7(6) . .
C7 C8 N4 121.4(6) . .
N5 C9 N4 107.2(6) . .
N5 C9 H9A 126.4 . .
N4 C9 H9A 126.4 . .
C11 C10 N4 107.6(6) . .
C11 C10 H10A 126.2 . .
N4 C10 H10A 126.2 . .
C10 C11 N5 106.8(6) . .
C10 C11 H11A 126.6 . .
N5 C11 H11A 126.6 . .
N5 C12 C13 110.0(6) . .
N5 C12 H12A 109.7 . .
C13 C12 H12A 109.7 . .
N5 C12 H12B 109.7 . .
C13 C12 H12B 109.7 . .
H12A C12 H12B 108.2 . .
C18 C13 C14 119.2(7) . .
C18 C13 C12 121.3(6) . .
C14 C13 C12 119.4(6) . .
C13 C14 C15 121.1(6) . .
C13 C14 H14A 119.4 . .
C15 C14 H14A 119.4 . .
C14 C15 C16 119.3(6) . .
C14 C15 H15A 120.3 . .
C16 C15 H15A 120.3 . .
C17 C16 C15 119.6(6) . .
C17 C16 C19 120.5(6) . 2_886
C15 C16 C19 119.8(6) . 2_886
C16 C17 C18 119.9(6) . .
C16 C17 H17A 120.1 . .
C18 C17 H17A 120.1 . .
C13 C18 C17 120.8(6) . .
C13 C18 H18A 119.6 . .
C17 C18 H18A 119.6 . .
N1 C19 C16 109.5(5) . 2_886
N1 C19 H19A 109.8 . .
C16 C19 H19A 109.8 2_886 .
N1 C19 H19B 109.8 . .
C16 C19 H19B 109.8 2_886 .
H19A C19 H19B 108.2 . .
C24 C20 C21 120.8(7) 2_898 .
C24 C20 H20A 119.6 2_898 .
C21 C20 H20A 119.6 . .
C21 C21 C22 119.4(7) 2_898 .
C21 C21 C20 118.3(7) 2_898 .
C22 C21 C20 122.3(6) . .
C23 C22 C21 121.3(6) . .
C23 C22 H22A 119.3 . .
C21 C22 H22A 119.3 . .
C22 C23 C24 119.1(6) . .
C22 C23 C25 122.0(7) . .
C24 C23 C25 118.9(7) . .
C20 C24 C23 121.1(7) 2_898 .
C20 C24 H24A 119.5 2_898 .
C23 C24 H24A 119.5 . .
O2 C25 O1 122.4(8) . .
O2 C25 C23 118.0(8) . .
O1 C25 C23 119.4(8) . .
O3 C26 O4 125.9(6) . .
O3 C26 C28 117.8(5) . .
O4 C26 C28 116.3(5) . .
C31 C27 C28 120.6(2) 2_886 .
C31 C27 H27A 119.7 2_886 .
C28 C27 H27A 119.7 . .
C29 C28 C27 119.2 . .
C29 C28 C26 121.0(3) . .
C27 C28 C26 119.8(3) . .
C28 C29 C30 121.8(3) . .
C28 C29 H29A 119.1 . .
C30 C29 H29A 119.1 . .
C29 C30 C30 118.8(6) . 2_886
C29 C30 C31 123.1(5) . .
C30 C30 C31 118.1(6) 2_886 .
C27 C31 C30 121.5(4) 2_886 .
C27 C31 H31A 119.3 2_886 .
C30 C31 H31A 119.3 . .
C36 C32 C33 120.3(5) 2_786 .
C36 C32 H32A 119.9 2_786 .
C33 C32 H32A 119.9 . .
C34 C33 C32 119.2(6) . .
C34 C33 C37 121.0(6) . .
C32 C33 C37 119.8(6) . .
C33 C34 C35 122.5(6) . .
C33 C34 H34A 118.7 . .
C35 C34 H34A 118.7 . .
C34 C35 C36 123.6(6) . .
C34 C35 C35 118.6(8) . 2_786
C36 C35 C35 117.9(8) . 2_786
C32 C36 C35 121.5(6) 2_786 .
C32 C36 H36A 119.3 2_786 .
C35 C36 H36A 119.3 . .
O6 C37 O5 124.5(7) . .
O6 C37 C33 118.2(6) . .
O5 C37 C33 117.2(7) . .
C25 O2 Ag1 111.6(6) . .
C26 O4 Ag1 118.8(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O4 2.137(4) .
Ag1 O2 2.217(5) .
N1 C1 1.322(8) .
N1 C2 1.382(9) .
N1 C19 1.481(8) .
N2 C1 1.351(8) .
N2 C3 1.373(9) .
N2 C4 1.441(8) .
N3 C4 1.320(8) .
N3 C8 1.336(8) .
N4 C9 1.345(8) .
N4 C10 1.385(9) .
N4 C8 1.442(8) .
N5 C9 1.334(8) .
N5 C11 1.387(9) .
N5 C12 1.481(8) .
C1 H1A 0.9300 .
C2 C3 1.349(10) .
C2 H2A 0.9300 .
C3 H3A 0.9300 .
C4 C5 1.378(9) .
C5 C6 1.395(9) .
C5 H5A 0.9300 .
C6 C7 1.383(9) .
C6 H6A 0.9300 .
C7 C8 1.373(9) .
C7 H7A 0.9300 .
C9 H9A 0.9300 .
C10 C11 1.337(9) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C12 C13 1.504(10) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C18 1.381(9) .
C13 C14 1.382(10) .
C14 C15 1.386(10) .
C14 H14A 0.9300 .
C15 C16 1.410(9) .
C15 H15A 0.9300 .
C16 C17 1.379(9) .
C16 C19 1.521(9) 2_886
C17 C18 1.399(9) .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
C19 C16 1.521(9) 2_886
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C24 1.372(9) 2_898
C20 C21 1.422(9) .
C20 H20A 0.9300 .
C21 C21 1.403(12) 2_898
C21 C22 1.420(8) .
C22 C23 1.369(10) .
C22 H22A 0.9300 .
C23 C24 1.400(10) .
C23 C25 1.512(10) .
C24 C20 1.372(9) 2_898
C24 H24A 0.9300 .
C25 O2 1.216(10) .
C25 O1 1.220(11) .
C26 O3 1.258(7) .
C26 O4 1.259(7) .
C26 C28 1.521(7) .
C27 C31 1.355(6) 2_886
C27 C28 1.4262 .
C27 H27A 0.9300 .
C28 C29 1.3669 .
C29 C30 1.418(7) .
C29 H29A 0.9300 .
C30 C30 1.427(12) 2_886
C30 C31 1.428(7) .
C31 C27 1.355(6) 2_886
C31 H31A 0.9300 .
C32 C36 1.367(9) 2_786
C32 C33 1.426(8) .
C32 H32A 0.9300 .
C33 C34 1.367(10) .
C33 C37 1.514(10) .
C34 C35 1.403(10) .
C34 H34A 0.9300 .
C35 C36 1.427(10) .
C35 C35 1.443(13) 2_786
C36 C32 1.367(9) 2_786
C36 H36A 0.9300 .
C37 O6 1.258(9) .
C37 O5 1.271(8) .
O1W O1W' 1.12(3) .
O3W' O3W' 1.57(3) 2_887
O6W O6W 1.81(3) 2_897
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
C2 N1 C1 N2 0.9(8) . .
C19 N1 C1 N2 171.7(6) . .
C3 N2 C1 N1 -1.7(8) . .
C4 N2 C1 N1 -176.5(6) . .
C1 N1 C2 C3 0.2(9) . .
C19 N1 C2 C3 -170.4(7) . .
N1 C2 C3 N2 -1.3(9) . .
C1 N2 C3 C2 1.8(9) . .
C4 N2 C3 C2 176.5(7) . .
C8 N3 C4 C5 0.9(9) . .
C8 N3 C4 N2 -178.4(5) . .
C1 N2 C4 N3 149.6(6) . .
C3 N2 C4 N3 -24.3(9) . .
C1 N2 C4 C5 -29.7(9) . .
C3 N2 C4 C5 156.4(7) . .
N3 C4 C5 C6 -1.9(10) . .
N2 C4 C5 C6 177.3(6) . .
C4 C5 C6 C7 1.0(9) . .
C5 C6 C7 C8 0.7(9) . .
C4 N3 C8 C7 1.1(9) . .
C4 N3 C8 N4 179.2(5) . .
C6 C7 C8 N3 -1.9(10) . .
C6 C7 C8 N4 -179.9(6) . .
C9 N4 C8 N3 175.6(6) . .
C10 N4 C8 N3 -5.6(9) . .
C9 N4 C8 C7 -6.1(9) . .
C10 N4 C8 C7 172.6(6) . .
C11 N5 C9 N4 -0.8(7) . .
C12 N5 C9 N4 -172.5(6) . .
C10 N4 C9 N5 -0.3(7) . .
C8 N4 C9 N5 178.7(5) . .
C9 N4 C10 C11 1.2(7) . .
C8 N4 C10 C11 -177.7(6) . .
N4 C10 C11 N5 -1.6(7) . .
C9 N5 C11 C10 1.5(8) . .
C12 N5 C11 C10 172.9(6) . .
C9 N5 C12 C13 88.5(8) . .
C11 N5 C12 C13 -81.9(8) . .
N5 C12 C13 C18 99.1(7) . .
N5 C12 C13 C14 -77.5(8) . .
C18 C13 C14 C15 -2.3(10) . .
C12 C13 C14 C15 174.4(6) . .
C13 C14 C15 C16 0.7(10) . .
C14 C15 C16 C17 1.3(9) . .
C14 C15 C16 C19 -175.6(6) . 2_886
C15 C16 C17 C18 -1.8(9) . .
C19 C16 C17 C18 175.0(6) 2_886 .
C14 C13 C18 C17 1.8(10) . .
C12 C13 C18 C17 -174.8(6) . .
C16 C17 C18 C13 0.3(10) . .
C1 N1 C19 C16 -61.6(9) . 2_886
C2 N1 C19 C16 107.6(7) . 2_886
C24 C20 C21 C21 -0.7(11) 2_898 2_898
C24 C20 C21 C22 179.3(6) 2_898 .
C21 C21 C22 C23 -0.7(11) 2_898 .
C20 C21 C22 C23 179.3(6) . .
C21 C22 C23 C24 0.6(9) . .
C21 C22 C23 C25 -177.0(6) . .
C22 C23 C24 C20 0.1(10) . 2_898
C25 C23 C24 C20 177.8(6) . 2_898
C22 C23 C25 O2 -11.8(11) . .
C24 C23 C25 O2 170.7(7) . .
C22 C23 C25 O1 163.8(8) . .
C24 C23 C25 O1 -13.8(11) . .
C31 C27 C28 C29 1.3(3) 2_886 .
C31 C27 C28 C26 -178.8(5) 2_886 .
O3 C26 C28 C29 -20.4(7) . .
O4 C26 C28 C29 158.8(4) . .
O3 C26 C28 C27 159.8(4) . .
O4 C26 C28 C27 -21.0(6) . .
C27 C28 C29 C30 -1.0(3) . .
C26 C28 C29 C30 179.1(5) . .
C28 C29 C30 C30 0.8(8) . 2_886
C28 C29 C30 C31 180.0(4) . .
C29 C30 C31 C27 179.7(4) . 2_886
C30 C30 C31 C27 -1.1(9) 2_886 2_886
C36 C32 C33 C34 -0.6(9) 2_786 .
C36 C32 C33 C37 179.9(6) 2_786 .
C32 C33 C34 C35 -2.3(10) . .
C37 C33 C34 C35 177.2(6) . .
C33 C34 C35 C36 -177.8(6) . .
C33 C34 C35 C35 2.9(11) . 2_786
C34 C35 C36 C32 -177.1(6) . 2_786
C35 C35 C36 C32 2.2(11) 2_786 2_786
C34 C33 C37 O6 -168.8(6) . .
C32 C33 C37 O6 10.7(9) . .
C34 C33 C37 O5 8.9(10) . .
C32 C33 C37 O5 -171.6(6) . .
O1 C25 O2 Ag1 -2.1(11) . .
C23 C25 O2 Ag1 173.3(5) . .
O4 Ag1 O2 C25 171.9(5) . .
O3 C26 O4 Ag1 -5.2(9) . .
C28 C26 O4 Ag1 175.7(3) . .
O2 Ag1 O4 C26 -138.5(5) . .
