#------------------------------------------------------------------------------
#$Date: 2016-03-22 10:33:38 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178875 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/04/4110498.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_4110498
loop_
_publ_author_name
'Jonathan L. Sessler'
'Elisa Tomat'
'Vincent M. Lynch'
_publ_section_title
;
 Positive Homotropic Allosteric Binding of Silver(I) Cations in a Schiff
 Base Oligopyrrolic Macrocycle
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4184
_journal_page_last               4185
_journal_paper_doi               10.1021/ja0582004
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C61 H82 Ag2 N8 O9'
_chemical_formula_weight         1287.09
_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                103.526(1)
_cell_angle_beta                 104.757(1)
_cell_angle_gamma                94.708(1)
_cell_formula_units_Z            2
_cell_length_a                   14.0709(2)
_cell_length_b                   14.4030(2)
_cell_length_c                   16.1673(3)
_cell_measurement_temperature    153(2)
_cell_volume                     3045.40(9)
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_data_reduction
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_structure_solution
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       ω-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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1208
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            13844
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    0.704
_exptl_absorpt_correction_T_max  0.953
_exptl_absorpt_correction_T_min  0.736
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'XPrep SHELXTL/PC, Siemens Analytical'
_exptl_crystal_colour            red-orange
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_description       needles
_exptl_crystal_F_000             1340
_exptl_crystal_size_max          0.59
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.980
_refine_diff_density_min         -0.770
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.459
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     658
_refine_ls_number_reflns         13844
_refine_ls_number_restraints     439
_refine_ls_restrained_S_all      1.450
_refine_ls_R_factor_all          0.1295
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0200P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1131
_refine_ls_wR_factor_ref         0.1222
_reflns_number_gt                7277
_reflns_number_total             13844
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0582004si20051202_122539.cif
_cod_data_source_block           agusa
_cod_original_cell_volume        3045.39(8)
_cod_database_code               4110498
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 0.88480(3) 0.08448(2) 0.59354(2) 0.04053(13) Uani 1 1 d U . .
O1A O 0.8665(3) -0.0188(3) 0.4413(3) 0.0710(12) Uani 1 1 d U . .
O2A O 0.9334(2) 0.1359(2) 0.4783(2) 0.0491(9) Uani 1 1 d U . .
C1A C 0.9070(4) 0.0472(3) 0.3290(3) 0.0527(15) Uani 1 1 d U . .
H1AA H 0.8828 -0.0179 0.2935 0.079 Uiso 1 1 d R . .
H1AB H 0.9745 0.0646 0.3292 0.079 Uiso 1 1 d R . .
H1AC H 0.8664 0.0902 0.3047 0.079 Uiso 1 1 d R . .
C2A C 0.9031(3) 0.0546(3) 0.4218(3) 0.0378(12) Uani 1 1 d U . .
N1 N 1.1029(3) 0.2323(2) 0.6367(2) 0.0315(9) Uani 1 1 d U . .
H1N H 1.0506 0.1916 0.5971 0.038 Uiso 1 1 d R . .
N2 N 0.9646(3) 0.1780(2) 0.7379(2) 0.0321(9) Uani 1 1 d U . .
N3 N 0.8366(3) 0.0070(2) 0.6875(2) 0.0305(9) Uani 1 1 d U . .
N4 N 0.8194(2) -0.1600(2) 0.5255(2) 0.0289(9) Uani 1 1 d U . .
H4N H 0.8293 -0.1054 0.5090 0.035 Uiso 1 1 d R . .
C1 C 1.1829(3) 0.2724(3) 0.6168(3) 0.0310(11) Uani 1 1 d U . .
C2 C 1.2469(3) 0.3313(3) 0.6949(3) 0.0339(12) Uani 1 1 d U . .
C3 C 1.2038(3) 0.3269(3) 0.7640(3) 0.0345(12) Uani 1 1 d U . .
C4 C 1.1144(3) 0.2644(3) 0.7270(3) 0.0283(11) Uani 1 1 d U . .
C5 C 1.0475(3) 0.2366(3) 0.7723(3) 0.0328(11) Uani 1 1 d U . .
H5 H 1.0656 0.2635 0.8353 0.039 Uiso 1 1 d R . .
C6 C 0.9044(3) 0.1607(3) 0.7928(3) 0.0301(11) Uani 1 1 d U . .
C7 C 0.9065(3) 0.2287(3) 0.8694(3) 0.0338(11) Uani 1 1 d U . .
H7 H 0.9511 0.2886 0.8876 0.041 Uiso 1 1 d R . .
C8 C 0.8464(3) 0.2129(3) 0.9216(3) 0.0383(12) Uani 1 1 d U . .
C9 C 0.7807(3) 0.1245(3) 0.8951(3) 0.0359(12) Uani 1 1 d U . .
C10 C 0.7773(3) 0.0567(3) 0.8179(3) 0.0313(11) Uani 1 1 d U . .
H10 H 0.7315 -0.0023 0.7996 0.038 Uiso 1 1 d R . .
C11 C 0.8389(3) 0.0741(3) 0.7667(3) 0.0272(10) Uani 1 1 d U . .
C12 C 0.8178(3) -0.0839(3) 0.6812(3) 0.0331(11) Uani 1 1 d U . .
H12 H 0.8085 -0.0994 0.7335 0.040 Uiso 1 1 d R . .
C13 C 0.8113(3) -0.1642(3) 0.6075(3) 0.0286(11) Uani 1 1 d U . .
C14 C 0.7951(3) -0.2619(3) 0.6064(3) 0.0303(11) Uani 1 1 d U . .
C15 C 0.7941(3) -0.3173(3) 0.5229(3) 0.0286(11) Uani 1 1 d U . .
C16 C 0.8098(3) -0.2526(3) 0.4735(3) 0.0312(11) Uani 1 1 d U . .
C17 C 1.3476(3) 0.3832(3) 0.7039(3) 0.0477(14) Uani 1 1 d U . .
H17A H 1.3586 0.3741 0.6465 0.072 Uiso 1 1 d R . .
H17B H 1.3502 0.4508 0.7300 0.072 Uiso 1 1 d R . .
H17C H 1.3981 0.3584 0.7413 0.072 Uiso 1 1 d R . .
C18 C 1.2440(3) 0.3846(3) 0.8578(3) 0.0371(12) Uani 1 1 d U . .
H18A H 1.3152 0.3978 0.8725 0.044 Uiso 1 1 d R . .
H18B H 1.2272 0.3461 0.8946 0.044 Uiso 1 1 d R . .
C19 C 1.2023(4) 0.4804(3) 0.8789(3) 0.0462(13) Uani 1 1 d U . .
H19A H 1.2295 0.5144 0.9404 0.069 Uiso 1 1 d R . .
H19B H 1.2200 0.5192 0.8428 0.069 Uiso 1 1 d R . .
H19C H 1.1312 0.4671 0.8651 0.069 Uiso 1 1 d R . .
O20 O 0.8464(2) 0.2906(2) 0.9926(2) 0.0509(9) Uani 1 1 d U . .
C21 C 0.8801(5) 0.2775(4) 1.0772(4) 0.0774(19) Uani 1 1 d U . .
H21A H 0.8770 0.3345 1.1206 0.116 Uiso 1 1 d R . .
H21B H 0.8395 0.2233 1.0823 0.116 Uiso 1 1 d R . .
H21C H 0.9477 0.2654 1.0871 0.116 Uiso 1 1 d R . .
O22 O 0.7217(2) 0.1161(2) 0.9505(2) 0.0482(9) Uani 1 1 d U . .
C23 C 0.6484(4) 0.0347(4) 0.9207(3) 0.0559(15) Uani 1 1 d U . .
H23A H 0.6113 0.0353 0.9631 0.084 Uiso 1 1 d R . .
H23B H 0.6043 0.0350 0.8647 0.084 Uiso 1 1 d R . .
H23C H 0.6796 -0.0223 0.9138 0.084 Uiso 1 1 d R . .
C24 C 0.7878(3) -0.2996(3) 0.6835(3) 0.0425(13) Uani 1 1 d U . .
H24A H 0.7566 -0.3658 0.6629 0.051 Uiso 1 1 d R . .
H24B H 0.7471 -0.2628 0.7138 0.051 Uiso 1 1 d R . .
C25 C 0.8892(4) -0.2939(4) 0.7502(3) 0.0630(16) Uani 1 1 d U . .
H25A H 0.8827 -0.3179 0.7994 0.094 Uiso 1 1 d R . .
H25B H 0.9296 -0.3314 0.7200 0.094 Uiso 1 1 d R . .
H25C H 0.9199 -0.2275 0.7714 0.094 Uiso 1 1 d R . .
C26 C 0.7837(3) -0.4260(3) 0.4909(3) 0.0431(13) Uani 1 1 d U . .
H26A H 0.7729 -0.4543 0.5365 0.065 Uiso 1 1 d R . .
H26B H 0.7285 -0.4495 0.4385 0.065 Uiso 1 1 d R . .
H26C H 0.8437 -0.4431 0.4775 0.065 Uiso 1 1 d R . .
Ag2 Ag 0.66398(3) 0.10192(2) 0.59529(2) 0.03746(12) Uani 1 1 d U . .
O1B O 0.5821(2) -0.0641(2) 0.6124(2) 0.0454(9) Uani 1 1 d U . .
O2B O 0.6163(2) -0.0382(2) 0.4915(2) 0.0482(9) Uani 1 1 d U . .
C1B C 0.5530(3) -0.1967(3) 0.4851(3) 0.0471(14) Uani 1 1 d U . .
H1BA H 0.5298 -0.2313 0.5220 0.071 Uiso 1 1 d R . .
H1BB H 0.6089 -0.2229 0.4702 0.071 Uiso 1 1 d R . .
H1BC H 0.5007 -0.2030 0.4319 0.071 Uiso 1 1 d R . .
C2B C 0.5836(3) -0.0929(3) 0.5337(3) 0.0338(12) Uani 1 1 d U . .
N1' N 0.6503(2) 0.0797(2) 0.3772(2) 0.0290(9) Uani 1 1 d U . .
H1'N H 0.6452 0.0512 0.4202 0.035 Uiso 1 1 d R . .
N2' N 0.7413(2) 0.2261(2) 0.5524(2) 0.0269(9) Uani 1 1 d U . .
N3' N 0.6772(3) 0.2347(2) 0.7021(2) 0.0281(9) Uani 1 1 d U . .
N4' N 0.5123(2) 0.0950(2) 0.7197(2) 0.0283(9) Uani 1 1 d U . .
H4'N H 0.5351 0.0616 0.6762 0.034 Uiso 1 1 d R . .
C1' C 0.6172(3) 0.0378(3) 0.2890(3) 0.0287(11) Uani 1 1 d U . .
C2' C 0.6397(3) 0.1043(3) 0.2439(3) 0.0351(12) Uani 1 1 d U . .
C3' C 0.6882(3) 0.1894(3) 0.3084(3) 0.0351(12) Uani 1 1 d U A .
C4' C 0.6932(3) 0.1736(3) 0.3914(3) 0.0297(11) Uani 1 1 d U . .
C5' C 0.7362(3) 0.2417(3) 0.4768(3) 0.0314(11) Uani 1 1 d U . .
H5' H 0.7648 0.3047 0.4771 0.038 Uiso 1 1 d R . .
C6' C 0.7882(3) 0.3008(3) 0.6306(3) 0.0279(11) Uani 1 1 d U . .
C7' C 0.8705(3) 0.3678(3) 0.6351(3) 0.0274(10) Uani 1 1 d U . .
H7' H 0.8944 0.3625 0.5839 0.033 Uiso 1 1 d R . .
C8' C 0.9167(3) 0.4387(3) 0.7105(3) 0.0296(11) Uani 1 1 d U . .
C9' C 0.8800(3) 0.4463(3) 0.7855(3) 0.0306(11) Uani 1 1 d U . .
C10' C 0.8016(3) 0.3812(3) 0.7814(3) 0.0306(11) Uani 1 1 d U . .
H10' H 0.7776 0.3861 0.8326 0.037 Uiso 1 1 d R . .
C11' C 0.7554(3) 0.3077(3) 0.7045(3) 0.0268(11) Uani 1 1 d U . .
C12' C 0.6252(3) 0.2525(3) 0.7584(3) 0.0296(11) Uani 1 1 d U . .
H12' H 0.6408 0.3162 0.7981 0.036 Uiso 1 1 d R . .
C13' C 0.5483(3) 0.1893(3) 0.7691(3) 0.0275(11) Uani 1 1 d U . .
C14' C 0.4938(3) 0.2144(3) 0.8295(3) 0.0315(11) Uani 1 1 d U . .
C15' C 0.4214(3) 0.1344(3) 0.8157(3) 0.0321(11) Uani 1 1 d U . .
C16' C 0.4357(3) 0.0615(3) 0.7483(3) 0.0294(11) Uani 1 1 d U . .
C17' C 0.6140(4) 0.0901(3) 0.1441(3) 0.0556(15) Uani 1 1 d U . .
H17D H 0.5821 0.0251 0.1140 0.083 Uiso 1 1 d R . .
H17E H 0.5699 0.1345 0.1281 0.083 Uiso 1 1 d R . .
H17F H 0.6736 0.1025 0.1274 0.083 Uiso 1 1 d R . .
C18' C 0.7291(4) 0.2815(3) 0.2904(3) 0.0557(16) Uani 1 1 d DU . .
H18E H 0.7644 0.3261 0.3462 0.067 Uiso 0.28 1 d PR A .
H18F H 0.6743 0.3101 0.2631 0.067 Uiso 0.28 1 d PR . .
H18C H 0.7551 0.2652 0.2403 0.067 Uiso 0.72 1 d PR . .
H18D H 0.7830 0.3159 0.3409 0.067 Uiso 0.72 1 d PR . .
C19' C 0.6560(6) 0.3468(5) 0.2746(6) 0.070(2) Uani 0.72 1 d PDU A 1
H19G H 0.6859 0.4038 0.2643 0.104 Uiso 0.72 1 d PR A 1
H19H H 0.6025 0.3135 0.2233 0.104 Uiso 0.72 1 d PR A 1
H19I H 0.6307 0.3648 0.3250 0.104 Uiso 0.72 1 d PR A 1
C19A C 0.8049(16) 0.2698(17) 0.2431(16) 0.118(9) Uani 0.28 1 d PDU A 2
H19D H 0.8277 0.3309 0.2351 0.176 Uiso 0.28 1 d PR A 2
H19E H 0.8609 0.2428 0.2705 0.176 Uiso 0.28 1 d PR A 2
H19F H 0.7698 0.2266 0.1865 0.176 Uiso 0.28 1 d PR A 2
O20' O 0.9967(2) 0.50381(19) 0.7218(2) 0.0387(8) Uani 1 1 d U . .
C21' C 1.0425(3) 0.4903(3) 0.6517(3) 0.0433(13) Uani 1 1 d U . .
H21D H 1.0981 0.5405 0.6666 0.065 Uiso 1 1 d R . .
H21E H 1.0653 0.4286 0.6441 0.065 Uiso 1 1 d R . .
H21F H 0.9956 0.4922 0.5976 0.065 Uiso 1 1 d R . .
O22' O 0.9321(2) 0.5181(2) 0.8596(2) 0.0400(8) Uani 1 1 d U . .
C23' C 0.8938(4) 0.5320(3) 0.9343(3) 0.0481(14) Uani 1 1 d U . .
H23D H 0.9358 0.5837 0.9817 0.072 Uiso 1 1 d R . .
H23E H 0.8279 0.5479 0.9181 0.072 Uiso 1 1 d R . .
H23F H 0.8918 0.4738 0.9535 0.072 Uiso 1 1 d R . .
C24' C 0.5113(3) 0.3072(3) 0.9000(3) 0.0392(12) Uani 1 1 d U . .
H24C H 0.4493 0.3192 0.9119 0.047 Uiso 1 1 d R . .
H24D H 0.5350 0.3594 0.8794 0.047 Uiso 1 1 d R . .
C25' C 0.5869(4) 0.3043(4) 0.9872(3) 0.0608(16) Uani 1 1 d U . .
H25D H 0.5963 0.3643 1.0314 0.091 Uiso 1 1 d R . .
H25E H 0.5627 0.2526 1.0082 0.091 Uiso 1 1 d R . .
H25F H 0.6491 0.2931 0.9754 0.091 Uiso 1 1 d R . .
C26' C 0.3400(3) 0.1303(3) 0.8591(3) 0.0454(13) Uani 1 1 d U . .
H26D H 0.3013 0.0671 0.8381 0.068 Uiso 1 1 d R . .
H26E H 0.3687 0.1449 0.9221 0.068 Uiso 1 1 d R . .
H26F H 0.2980 0.1772 0.8455 0.068 Uiso 1 1 d R . .
O1W O 0.9585(3) 0.3109(2) 0.4456(3) 0.0658(11) Uani 1 1 d U . .
O2W O 0.5816(3) -0.1708(3) 0.7281(3) 0.0762(12) Uani 1 1 d U . .
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'
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_3
N3 Ag1 N2 73.04(12) .
N3 Ag1 O2A 169.33(11) .
N2 Ag1 O2A 115.64(12) .
N3 Ag1 O1A 115.46(12) .
N2 Ag1 O1A 158.34(13) .
O2A Ag1 O1A 54.18(11) .
C2A O1A Ag1 89.2(3) .
C2A O2A Ag1 94.5(3) .
C2A C1A H1AA 109.5 .
C2A C1A H1AB 109.5 .
H1AA C1A H1AB 109.5 .
C2A C1A H1AC 109.5 .
H1AA C1A H1AC 109.5 .
H1AB C1A H1AC 109.5 .
O2A C2A O1A 122.0(5) .
O2A C2A C1A 118.0(4) .
O1A C2A C1A 119.9(5) .
C1 N1 C4 109.7(4) .
C1 N1 H1N 124.9 .
C4 N1 H1N 125.4 .
C5 N2 C6 119.7(4) .
C5 N2 Ag1 132.7(3) .
C6 N2 Ag1 107.7(3) .
C12 N3 C11 119.1(4) .
C12 N3 Ag1 130.5(3) .
C11 N3 Ag1 110.1(2) .
C13 N4 C16 108.8(3) .
C13 N4 H4N 125.2 .
C16 N4 H4N 126.0 .
N1 C1 C2 107.8(4) .
N1 C1 C16 121.8(4) 2_756
C2 C1 C16 130.4(4) 2_756
C1 C2 C3 107.7(4) .
C1 C2 C17 125.2(4) .
C3 C2 C17 126.9(4) .
C4 C3 C2 107.6(4) .
C4 C3 C18 126.7(4) .
C2 C3 C18 125.6(4) .
N1 C4 C3 107.2(4) .
N1 C4 C5 125.8(4) .
C3 C4 C5 127.0(4) .
N2 C5 C4 127.0(4) .
N2 C5 H5 116.1 .
C4 C5 H5 116.9 .
C7 C6 C11 119.3(4) .
C7 C6 N2 121.7(4) .
C11 C6 N2 119.0(4) .
C8 C7 C6 121.7(4) .
C8 C7 H7 118.6 .
C6 C7 H7 119.7 .
C7 C8 O20 117.0(4) .
C7 C8 C9 118.7(4) .
O20 C8 C9 123.8(4) .
C10 C9 O22 125.5(4) .
C10 C9 C8 119.8(4) .
O22 C9 C8 114.6(4) .
C9 C10 C11 120.4(4) .
C9 C10 H10 119.3 .
C11 C10 H10 120.3 .
C10 C11 C6 120.1(4) .
C10 C11 N3 121.7(4) .
C6 C11 N3 118.3(4) .
N3 C12 C13 128.6(4) .
N3 C12 H12 115.2 .
C13 C12 H12 116.1 .
N4 C13 C14 107.6(4) .
N4 C13 C12 126.6(4) .
C14 C13 C12 125.8(4) .
C15 C14 C13 108.2(4) .
C15 C14 C24 126.0(4) .
C13 C14 C24 125.7(4) .
C14 C15 C16 106.8(4) .
C14 C15 C26 128.0(4) .
C16 C15 C26 125.1(4) .
N4 C16 C15 108.6(4) .
N4 C16 C1 122.1(4) 2_756
C15 C16 C1 129.3(4) 2_756
C2 C17 H17A 109.7 .
C2 C17 H17B 108.8 .
H17A C17 H17B 109.5 .
C2 C17 H17C 109.8 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
C3 C18 C19 114.0(4) .
C3 C18 H18A 109.4 .
C19 C18 H18A 109.3 .
C3 C18 H18B 107.9 .
C19 C18 H18B 108.0 .
H18A C18 H18B 108.0 .
C18 C19 H19A 110.9 .
C18 C19 H19B 108.1 .
H19A C19 H19B 109.5 .
C18 C19 H19C 109.4 .
H19A C19 H19C 109.5 .
H19B C19 H19C 109.5 .
C21 O20 C8 116.4(4) .
O20 C21 H21A 109.7 .
O20 C21 H21B 109.7 .
H21A C21 H21B 109.5 .
O20 C21 H21C 109.0 .
H21A C21 H21C 109.5 .
H21B C21 H21C 109.5 .
C9 O22 C23 115.8(4) .
O22 C23 H23A 109.8 .
O22 C23 H23B 109.5 .
H23A C23 H23B 109.5 .
O22 C23 H23C 109.1 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
C14 C24 C25 113.2(4) .
C14 C24 H24A 109.8 .
C25 C24 H24A 108.2 .
C14 C24 H24B 108.9 .
C25 C24 H24B 108.5 .
H24A C24 H24B 108.1 .
C24 C25 H25A 111.8 .
C24 C25 H25B 108.4 .
H25A C25 H25B 109.5 .
C24 C25 H25C 108.2 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
C15 C26 H26A 109.4 .
C15 C26 H26B 109.9 .
H26A C26 H26B 109.5 .
C15 C26 H26C 109.1 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
N3' Ag2 O2B 166.97(12) .
N3' Ag2 N2' 74.69(12) .
O2B Ag2 N2' 114.63(12) .
N3' Ag2 Ag1 104.00(9) .
O2B Ag2 Ag1 88.51(8) .
N2' Ag2 Ag1 65.64(8) .
C2B O2B Ag2 101.4(3) .
C2B C1B H1BA 109.5 .
C2B C1B H1BB 109.5 .
H1BA C1B H1BB 109.5 .
C2B C1B H1BC 109.5 .
H1BA C1B H1BC 109.5 .
H1BB C1B H1BC 109.5 .
O1B C2B O2B 123.5(4) .
O1B C2B C1B 120.5(4) .
O2B C2B C1B 115.8(5) .
C1' N1' C4' 109.2(3) .
C1' N1' H1'N 125.8 .
C4' N1' H1'N 125.1 .
C5' N2' C6' 119.3(3) .
C5' N2' Ag2 132.7(3) .
C6' N2' Ag2 107.2(3) .
C12' N3' C11' 119.8(4) .
C12' N3' Ag2 128.8(3) .
C11' N3' Ag2 111.4(3) .
C16' N4' C13' 108.0(3) .
C16' N4' H4'N 126.1 .
C13' N4' H4'N 125.9 .
N1' C1' C2' 109.0(4) .
N1' C1' C16' 122.7(4) 2_656
C2' C1' C16' 128.3(4) 2_656
C1' C2' C3' 106.8(4) .
C1' C2' C17' 127.5(4) .
C3' C2' C17' 125.7(4) .
C4' C3' C2' 107.6(4) .
C4' C3' C18' 126.7(4) .
C2' C3' C18' 125.6(4) .
N1' C4' C3' 107.5(4) .
N1' C4' C5' 125.6(4) .
C3' C4' C5' 127.0(4) .
N2' C5' C4' 126.5(4) .
N2' C5' H5' 116.6 .
C4' C5' H5' 117.0 .
C11' C6' N2' 119.7(4) .
C11' C6' C7' 118.8(4) .
N2' C6' C7' 121.5(4) .
C8' C7' C6' 121.6(4) .
C8' C7' H7' 119.4 .
C6' C7' H7' 119.1 .
O20' C8' C7' 125.8(4) .
O20' C8' C9' 115.4(4) .
C7' C8' C9' 118.8(4) .
C10' C9' O22' 125.1(4) .
C10' C9' C8' 119.5(4) .
O22' C9' C8' 115.2(4) .
C9' C10' C11' 121.5(4) .
C9' C10' H10' 119.3 .
C11' C10' H10' 119.2 .
C6' C11' C10' 119.7(4) .
C6' C11' N3' 118.7(4) .
C10' C11' N3' 121.5(4) .
N3' C12' C13' 128.3(4) .
N3' C12' H12' 115.8 .
C13' C12' H12' 115.9 .
N4' C13' C14' 108.4(4) .
N4' C13' C12' 126.5(4) .
C14' C13' C12' 125.1(4) .
C13' C14' C15' 107.7(4) .
C13' C14' C24' 126.8(4) .
C15' C14' C24' 125.5(4) .
C16' C15' C14' 106.6(4) .
C16' C15' C26' 126.2(4) .
C14' C15' C26' 127.1(4) .
N4' C16' C15' 109.3(4) .
N4' C16' C1' 121.9(4) 2_656
C15' C16' C1' 128.8(4) 2_656
C2' C17' H17D 109.9 .
C2' C17' H17E 108.8 .
H17D C17' H17E 109.5 .
C2' C17' H17F 109.6 .
H17D C17' H17F 109.5 .
H17E C17' H17F 109.5 .
C19A C18' C19' 121.9(11) .
C19A C18' C3' 114.4(10) .
C19' C18' C3' 113.9(5) .
C19A C18' H18E 103.0 .
C3' C18' H18E 108.3 .
C19A C18' H18F 114.2 .
C3' C18' H18F 108.8 .
H18E C18' H18F 107.7 .
C19' C18' H18C 109.3 .
C3' C18' H18C 109.4 .
C19' C18' H18D 107.7 .
C3' C18' H18D 108.6 .
H18F C18' H18D 124.2 .
C18' C19' H19G 110.3 .
H18F C19' H19G 114.6 .
C18' C19' H19H 108.3 .
H19G C19' H19H 109.5 .
C18' C19' H19I 109.9 .
H18F C19' H19I 127.4 .
H19G C19' H19I 109.5 .
H19H C19' H19I 109.5 .
C18' C19A H19D 109.6 .
H18C C19A H19D 111.1 .
C18' C19A H19E 115.0 .
H18C C19A H19E 135.8 .
H19D C19A H19E 109.5 .
C18' C19A H19F 103.6 .
H19D C19A H19F 109.5 .
H19E C19A H19F 109.5 .
C8' O20' C21' 116.5(3) .
O20' C21' H21D 109.4 .
O20' C21' H21E 109.0 .
H21D C21' H21E 109.5 .
O20' C21' H21F 110.1 .
H21D C21' H21F 109.5 .
H21E C21' H21F 109.5 .
C9' O22' C23' 116.8(3) .
O22' C23' H23D 109.5 .
O22' C23' H23E 109.3 .
H23D C23' H23E 109.5 .
O22' C23' H23F 109.6 .
H23D C23' H23F 109.5 .
H23E C23' H23F 109.5 .
C14' C24' C25' 112.2(4) .
C14' C24' H24C 108.8 .
C25' C24' H24C 108.7 .
C14' C24' H24D 109.7 .
C25' C24' H24D 109.3 .
H24C C24' H24D 108.1 .
C24' C25' H25D 110.4 .
C24' C25' H25E 109.3 .
H25D C25' H25E 109.5 .
C24' C25' H25F 108.7 .
H25D C25' H25F 109.5 .
H25E C25' H25F 109.5 .
C15' C26' H26D 110.2 .
C15' C26' H26E 109.0 .
H26D C26' H26E 109.5 .
C15' C26' H26F 109.3 .
H26D C26' H26F 109.5 .
H26E C26' H26F 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N3 2.282(3) .
Ag1 N2 2.338(3) .
Ag1 O2A 2.387(3) .
Ag1 O1A 2.498(4) .
Ag1 Ag2 3.1444(5) .
O1A C2A 1.278(5) .
O2A C2A 1.268(5) .
C1A C2A 1.495(6) .
C1A H1AA 0.9599 .
C1A H1AB 0.9600 .
C1A H1AC 0.9600 .
N1 C1 1.369(5) .
N1 C4 1.385(5) .
N1 H1N 0.8999 .
N2 C5 1.293(5) .
N2 C6 1.421(5) .
N3 C12 1.289(5) .
N3 C11 1.403(5) .
N4 C13 1.374(5) .
N4 C16 1.375(5) .
N4 H4N 0.9000 .
C1 C2 1.385(6) .
C1 C16 1.452(6) 2_756
C2 C3 1.411(6) .
C2 C17 1.503(6) .
C3 C4 1.389(5) .
C3 C18 1.485(6) .
C4 C5 1.418(6) .
C5 H5 0.9600 .
C6 C7 1.380(6) .
C6 C11 1.397(5) .
C7 C8 1.379(6) .
C7 H7 0.9600 .
C8 O20 1.403(5) .
C8 C9 1.417(6) .
C9 C10 1.381(6) .
C9 O22 1.384(5) .
C10 C11 1.388(6) .
C10 H10 0.9599 .
C12 C13 1.431(6) .
C12 H12 0.9601 .
C13 C14 1.401(5) .
C14 C15 1.393(6) .
C14 C24 1.494(6) .
C15 C16 1.399(6) .
C15 C26 1.512(5) .
C16 C1 1.453(6) 2_756
C17 H17A 0.9599 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C19 1.543(6) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C19 H19A 0.9601 .
C19 H19B 0.9599 .
C19 H19C 0.9600 .
O20 C21 1.391(6) .
C21 H21A 0.9600 .
C21 H21B 0.9599 .
C21 H21C 0.9600 .
O22 C23 1.398(5) .
C23 H23A 0.9601 .
C23 H23B 0.9599 .
C23 H23C 0.9599 .
C24 C25 1.536(6) .
C24 H24A 0.9602 .
C24 H24B 0.9599 .
C25 H25A 0.9601 .
C25 H25B 0.9599 .
C25 H25C 0.9600 .
C26 H26A 0.9601 .
C26 H26B 0.9601 .
C26 H26C 0.9599 .
Ag2 N3' 2.215(3) .
Ag2 O2B 2.227(3) .
Ag2 N2' 2.348(3) .
O1B C2B 1.248(5) .
O2B C2B 1.284(5) .
C1B C2B 1.487(6) .
C1B H1BA 0.9600 .
C1B H1BB 0.9600 .
C1B H1BC 0.9600 .
N1' C1' 1.352(5) .
N1' C4' 1.378(5) .
N1' H1'N 0.9001 .
N2' C5' 1.279(5) .
N2' C6' 1.418(5) .
N3' C12' 1.302(5) .
N3' C11' 1.445(5) .
N4' C16' 1.372(5) .
N4' C13' 1.384(5) .
N4' H4'N 0.9001 .
C1' C2' 1.394(5) .
C1' C16' 1.469(5) 2_656
C2' C3' 1.399(6) .
C2' C17' 1.520(6) .
C3' C4' 1.398(6) .
C3' C18' 1.522(6) .
C4' C5' 1.441(6) .
C5' H5' 0.9602 .
C6' C11' 1.373(6) .
C6' C7' 1.420(5) .
C7' C8' 1.362(6) .
C7' H7' 0.9599 .
C8' O20' 1.351(5) .
C8' C9' 1.419(6) .
C9' C10' 1.365(5) .
C9' O22' 1.375(5) .
C10' C11' 1.396(5) .
C10' H10' 0.9601 .
C12' C13' 1.427(6) .
C12' H12' 0.9601 .
C13' C14' 1.391(6) .
C14' C15' 1.409(5) .
C14' C24' 1.495(6) .
C15' C16' 1.393(6) .
C15' C26' 1.493(6) .
C16' C1' 1.469(5) 2_656
C17' H17D 0.9600 .
C17' H17E 0.9599 .
C17' H17F 0.9599 .
C18' C19A 1.461(12) .
C18' C19' 1.464(8) .
C18' H18E 0.9600 .
C18' H18F 0.9598 .
C18' H18C 0.9601 .
C18' H18D 0.9601 .
C19' H19G 0.9601 .
C19' H19H 0.9600 .
C19' H19I 0.9600 .
C19A H18C 0.6869 .
C19A H19D 0.9600 .
C19A H19E 0.9600 .
C19A H19F 0.9600 .
O20' C21' 1.424(5) .
C21' H21D 0.9601 .
C21' H21E 0.9600 .
C21' H21F 0.9601 .
O22' C23' 1.424(5) .
C23' H23D 0.9600 .
C23' H23E 0.9601 .
C23' H23F 0.9599 .
C24' C25' 1.546(6) .
C24' H24C 0.9600 .
C24' H24D 0.9599 .
C25' H25D 0.9600 .
C25' H25E 0.9599 .
C25' H25F 0.9601 .
C26' H26D 0.9600 .
C26' H26E 0.9600 .
C26' H26F 0.9600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N1 H1N O2A 0.90 2.12 2.976(5) 158.4
N4 H4N O1A 0.90 1.96 2.822(5) 159.4
N1' H1'N O2B 0.90 2.00 2.883(5) 166.5
N4' H4'N O1B 0.90 2.11 2.933(5) 151.7
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_4
N3 Ag1 O1A C2A -178.6(3) . .
N2 Ag1 O1A C2A -69.7(4) . .
O2A Ag1 O1A C2A -1.5(3) . .
Ag2 Ag1 O1A C2A 110.1(3) . .
N3 Ag1 O2A C2A 16.0(8) . .
N2 Ag1 O2A C2A 159.2(3) . .
O1A Ag1 O2A C2A 1.5(3) . .
Ag2 Ag1 O2A C2A -87.0(3) . .
Ag1 O2A C2A O1A -2.8(5) . .
Ag1 O2A C2A C1A 174.4(4) . .
Ag1 O1A C2A O2A 2.7(5) . .
Ag1 O1A C2A C1A -174.4(4) . .
N3 Ag1 N2 C5 151.8(4) . .
O2A Ag1 N2 C5 -21.6(4) . .
O1A Ag1 N2 C5 35.1(6) . .
Ag2 Ag1 N2 C5 -144.7(4) . .
N3 Ag1 N2 C6 -27.4(2) . .
O2A Ag1 N2 C6 159.3(2) . .
O1A Ag1 N2 C6 -144.1(3) . .
Ag2 Ag1 N2 C6 36.1(2) . .
N2 Ag1 N3 C12 -144.7(4) . .
O2A Ag1 N3 C12 0.9(9) . .
O1A Ag1 N3 C12 13.9(4) . .
Ag2 Ag1 N3 C12 108.5(4) . .
N2 Ag1 N3 C11 28.5(3) . .
O2A Ag1 N3 C11 174.1(5) . .
O1A Ag1 N3 C11 -172.9(3) . .
Ag2 Ag1 N3 C11 -78.3(3) . .
C4 N1 C1 C2 -0.2(5) . .
C4 N1 C1 C16 -179.1(4) . 2_756
N1 C1 C2 C3 -0.2(5) . .
C16 C1 C2 C3 178.6(4) 2_756 .
N1 C1 C2 C17 175.0(4) . .
C16 C1 C2 C17 -6.2(7) 2_756 .
C1 C2 C3 C4 0.5(5) . .
C17 C2 C3 C4 -174.6(4) . .
C1 C2 C3 C18 -175.3(4) . .
C17 C2 C3 C18 9.5(7) . .
C1 N1 C4 C3 0.5(5) . .
C1 N1 C4 C5 -178.5(4) . .
C2 C3 C4 N1 -0.6(5) . .
C18 C3 C4 N1 175.2(4) . .
C2 C3 C4 C5 178.4(4) . .
C18 C3 C4 C5 -5.8(7) . .
C6 N2 C5 C4 -177.7(4) . .
Ag1 N2 C5 C4 3.2(7) . .
N1 C4 C5 N2 -0.8(7) . .
C3 C4 C5 N2 -179.6(4) . .
C5 N2 C6 C7 27.4(6) . .
Ag1 N2 C6 C7 -153.4(3) . .
C5 N2 C6 C11 -155.0(4) . .
Ag1 N2 C6 C11 24.2(4) . .
C11 C6 C7 C8 0.9(6) . .
N2 C6 C7 C8 178.5(4) . .
C6 C7 C8 O20 -173.2(4) . .
C6 C7 C8 C9 -0.4(7) . .
C7 C8 C9 C10 -0.5(7) . .
O20 C8 C9 C10 171.8(4) . .
C7 C8 C9 O22 -178.5(4) . .
O20 C8 C9 O22 -6.2(6) . .
O22 C9 C10 C11 178.6(4) . .
C8 C9 C10 C11 0.9(7) . .
C9 C10 C11 C6 -0.4(6) . .
C9 C10 C11 N3 -179.4(4) . .
C7 C6 C11 C10 -0.5(6) . .
N2 C6 C11 C10 -178.1(4) . .
C7 C6 C11 N3 178.6(4) . .
N2 C6 C11 N3 0.9(6) . .
C12 N3 C11 C10 -33.5(6) . .
Ag1 N3 C11 C10 152.4(3) . .
C12 N3 C11 C6 147.5(4) . .
Ag1 N3 C11 C6 -26.6(5) . .
C11 N3 C12 C13 179.7(4) . .
Ag1 N3 C12 C13 -7.6(7) . .
C16 N4 C13 C14 -0.7(5) . .
C16 N4 C13 C12 179.5(4) . .
N3 C12 C13 N4 -3.4(8) . .
N3 C12 C13 C14 176.8(4) . .
N4 C13 C14 C15 0.4(5) . .
C12 C13 C14 C15 -179.8(4) . .
N4 C13 C14 C24 176.3(4) . .
C12 C13 C14 C24 -3.9(7) . .
C13 C14 C15 C16 0.0(5) . .
C24 C14 C15 C16 -175.9(4) . .
C13 C14 C15 C26 177.1(4) . .
C24 C14 C15 C26 1.2(7) . .
C13 N4 C16 C15 0.7(5) . .
C13 N4 C16 C1 -178.6(4) . 2_756
C14 C15 C16 N4 -0.4(5) . .
C26 C15 C16 N4 -177.6(4) . .
C14 C15 C16 C1 178.8(4) . 2_756
C26 C15 C16 C1 1.7(7) . 2_756
C4 C3 C18 C19 -82.8(6) . .
C2 C3 C18 C19 92.3(6) . .
C7 C8 O20 C21 -117.5(5) . .
C9 C8 O20 C21 70.0(6) . .
C10 C9 O22 C23 -4.9(6) . .
C8 C9 O22 C23 173.0(4) . .
C15 C14 C24 C25 98.3(5) . .
C13 C14 C24 C25 -76.9(6) . .
N3 Ag1 Ag2 N3' 89.78(13) . .
N2 Ag1 Ag2 N3' 22.06(12) . .
O2A Ag1 Ag2 N3' -101.46(12) . .
O1A Ag1 Ag2 N3' -157.87(12) . .
N3 Ag1 Ag2 O2B -86.53(12) . .
N2 Ag1 Ag2 O2B -154.25(12) . .
O2A Ag1 Ag2 O2B 82.23(12) . .
O1A Ag1 Ag2 O2B 25.82(12) . .
N3 Ag1 Ag2 N2' 155.47(13) . .
N2 Ag1 Ag2 N2' 87.75(12) . .
O2A Ag1 Ag2 N2' -35.77(13) . .
O1A Ag1 Ag2 N2' -92.17(12) . .
N3' Ag2 O2B C2B -50.2(6) . .
N2' Ag2 O2B C2B 175.9(3) . .
Ag1 Ag2 O2B C2B 113.7(3) . .
Ag2 O2B C2B O1B 1.0(5) . .
Ag2 O2B C2B C1B -174.8(3) . .
N3' Ag2 N2' C5' -145.1(4) . .
O2B Ag2 N2' C5' 25.1(4) . .
Ag1 Ag2 N2' C5' 101.3(4) . .
N3' Ag2 N2' C6' 23.9(2) . .
O2B Ag2 N2' C6' -165.8(2) . .
Ag1 Ag2 N2' C6' -89.6(2) . .
O2B Ag2 N3' C12' 19.6(7) . .
N2' Ag2 N3' C12' 156.8(4) . .
Ag1 Ag2 N3' C12' -143.8(3) . .
O2B Ag2 N3' C11' -160.0(5) . .
N2' Ag2 N3' C11' -22.8(3) . .
Ag1 Ag2 N3' C11' 36.6(3) . .
C4' N1' C1' C2' 1.0(5) . .
C4' N1' C1' C16' -177.7(4) . 2_656
N1' C1' C2' C3' -0.1(5) . .
C16' C1' C2' C3' 178.5(4) 2_656 .
N1' C1' C2' C17' -178.1(5) . .
C16' C1' C2' C17' 0.5(8) 2_656 .
C1' C2' C3' C4' -0.8(5) . .
C17' C2' C3' C4' 177.2(5) . .
C1' C2' C3' C18' 178.5(5) . .
C17' C2' C3' C18' -3.5(8) . .
C1' N1' C4' C3' -1.5(5) . .
C1' N1' C4' C5' 179.5(4) . .
C2' C3' C4' N1' 1.4(5) . .
C18' C3' C4' N1' -177.9(4) . .
C2' C3' C4' C5' -179.6(4) . .
C18' C3' C4' C5' 1.2(8) . .
C6' N2' C5' C4' 178.7(4) . .
Ag2 N2' C5' C4' -13.3(7) . .
N1' C4' C5' N2' -0.3(7) . .
C3' C4' C5' N2' -179.2(5) . .
C5' N2' C6' C11' 148.0(4) . .
Ag2 N2' C6' C11' -22.8(4) . .
C5' N2' C6' C7' -33.6(6) . .
Ag2 N2' C6' C7' 155.6(3) . .
C11' C6' C7' C8' -0.5(6) . .
N2' C6' C7' C8' -178.9(4) . .
C6' C7' C8' O20' 178.2(4) . .
C6' C7' C8' C9' -1.2(6) . .
O20' C8' C9' C10' -177.5(4) . .
C7' C8' C9' C10' 1.9(6) . .
O20' C8' C9' O22' -1.0(5) . .
C7' C8' C9' O22' 178.5(4) . .
O22' C9' C10' C11' -177.1(4) . .
C8' C9' C10' C11' -0.9(6) . .
N2' C6' C11' C10' 180.0(4) . .
C7' C6' C11' C10' 1.5(6) . .
N2' C6' C11' N3' 3.6(6) . .
C7' C6' C11' N3' -174.9(4) . .
C9' C10' C11' C6' -0.9(6) . .
C9' C10' C11' N3' 175.5(4) . .
C12' N3' C11' C6' -160.2(4) . .
Ag2 N3' C11' C6' 19.5(5) . .
C12' N3' C11' C10' 23.5(6) . .
Ag2 N3' C11' C10' -156.8(3) . .
C11' N3' C12' C13' -177.2(4) . .
Ag2 N3' C12' C13' 3.1(6) . .
C16' N4' C13' C14' 0.5(5) . .
C16' N4' C13' C12' -177.1(4) . .
N3' C12' C13' N4' -0.9(7) . .
N3' C12' C13' C14' -178.1(4) . .
N4' C13' C14' C15' -1.2(5) . .
C12' C13' C14' C15' 176.4(4) . .
N4' C13' C14' C24' 175.7(4) . .
C12' C13' C14' C24' -6.7(7) . .
C13' C14' C15' C16' 1.4(5) . .
C24' C14' C15' C16' -175.5(4) . .
C13' C14' C15' C26' -174.0(4) . .
C24' C14' C15' C26' 9.0(7) . .
C13' N4' C16' C15' 0.4(5) . .
C13' N4' C16' C1' -178.1(4) . 2_656
C14' C15' C16' N4' -1.2(5) . .
C26' C15' C16' N4' 174.4(4) . .
C14' C15' C16' C1' 177.3(4) . 2_656
C26' C15' C16' C1' -7.2(8) . 2_656
C4' C3' C18' C19A 119.1(13) . .
C2' C3' C18' C19A -60.0(14) . .
C4' C3' C18' C19' -94.1(7) . .
C2' C3' C18' C19' 86.7(7) . .
C7' C8' O20' C21' -7.1(6) . .
C9' C8' O20' C21' 172.4(4) . .
C10' C9' O22' C23' -7.5(6) . .
C8' C9' O22' C23' 176.1(4) . .
C13' C14' C24' C25' -87.3(6) . .
C15' C14' C24' C25' 89.0(5) . .
