#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:40:23 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178819 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/73/4107310.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_4107310
loop_
_publ_author_name
'Jie-Peng Zhang'
'Susumu Kitagawa'
_publ_section_title
;
 Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal
 Center, and Porous Property of Ag(I)/Cu(I)
 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              907
_journal_page_last               917
_journal_paper_doi               10.1021/ja075408b
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C222 H276 Ag30 N60'
_chemical_formula_weight         7021.13
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_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            16
_cell_length_a                   61.7239(11)
_cell_length_b                   61.7239(11)
_cell_length_c                   26.9189(5)
_cell_measurement_temperature    153(2)
_cell_volume                     102557(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       '/w scan'
_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  0.0817
_diffrn_reflns_av_sigmaI/netI    0.0551
_diffrn_reflns_limit_h_max       64
_diffrn_reflns_limit_h_min       -75
_diffrn_reflns_limit_k_max       76
_diffrn_reflns_limit_k_min       -74
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            278836
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    2.289
_exptl_absorpt_correction_T_max  0.8942
_exptl_absorpt_correction_T_min  0.7252
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   REQABA
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_description       prism
_exptl_crystal_F_000             55008
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.658
_refine_diff_density_min         -0.695
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2868
_refine_ls_number_reflns         50234
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0821
_refine_ls_R_factor_gt           0.0548
_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=1/[σ²(Fo²)+(0.0404P)²+954.6649P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1051
_refine_ls_wR_factor_ref         0.1158
_reflns_number_gt                38393
_reflns_number_total             50234
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja075408b-file007.cif
_cod_data_source_block           1-Ag.M
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4107310
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'
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 0.707653(11) 0.273931(9) 0.76873(2) 0.04157(15) Uani 1 1 d .
Ag2 Ag 0.736148(10) 0.252487(9) 0.67432(2) 0.03981(14) Uani 1 1 d .
Ag3 Ag 0.761999(11) 0.284858(9) 0.75823(2) 0.04135(15) Uani 1 1 d .
Ag4 Ag 0.679908(8) 0.385433(8) 0.493364(19) 0.02808(12) Uani 1 1 d .
Ag5 Ag 0.732187(8) 0.399895(8) 0.50018(2) 0.02864(12) Uani 1 1 d .
Ag6 Ag 0.696334(8) 0.419752(9) 0.58589(2) 0.02927(12) Uani 1 1 d .
Ag7 Ag 0.690538(8) 0.403266(9) 0.36999(2) 0.03328(13) Uani 1 1 d .
Ag8 Ag 0.710946(9) 0.438476(9) 0.45130(2) 0.03164(12) Uani 1 1 d .
Ag9 Ag 0.655953(9) 0.426234(9) 0.45265(2) 0.03275(13) Uani 1 1 d .
Ag10 Ag 0.639790(8) 0.529360(8) 0.34017(2) 0.02860(12) Uani 1 1 d .
Ag11 Ag 0.678850(8) 0.515115(8) 0.264512(19) 0.02896(12) Uani 1 1 d .
Ag12 Ag 0.627877(8) 0.491833(9) 0.24793(2) 0.03106(12) Uani 1 1 d .
Ag13 Ag 0.621736(9) 0.559120(8) 0.26693(2) 0.03145(12) Uani 1 1 d .
Ag14 Ag 0.656268(8) 0.541731(9) 0.18426(2) 0.03230(12) Uani 1 1 d .
Ag15 Ag 0.670738(8) 0.583615(8) 0.26736(2) 0.02834(12) Uani 1 1 d .
Ag16 Ag 0.602136(9) 0.674156(9) -0.02447(2) 0.03255(12) Uani 1 1 d .
Ag17 Ag 0.617368(9) 0.709615(9) 0.06229(2) 0.03222(12) Uani 1 1 d .
Ag18 Ag 0.653606(9) 0.693446(8) -0.02822(2) 0.03056(12) Uani 1 1 d .
Ag19 Ag 0.620693(8) 0.756016(8) 0.01980(2) 0.03065(12) Uani 1 1 d .
Ag20 Ag 0.569966(9) 0.735985(9) 0.02494(2) 0.03122(12) Uani 1 1 d .
Ag21 Ag 0.600950(8) 0.720108(8) -0.07030(2) 0.02947(12) Uani 1 1 d .
Ag22 Ag 0.583253(9) 0.815726(9) -0.21691(2) 0.03207(12) Uani 1 1 d .
Ag23 Ag 0.532604(9) 0.798914(9) -0.21504(2) 0.03328(13) Uani 1 1 d .
Ag24 Ag 0.549823(8) 0.831054(9) -0.11821(2) 0.03285(13) Uani 1 1 d .
Ag25 Ag 0.549366(9) 0.837731(9) -0.30638(2) 0.03826(14) Uani 1 1 d .
Ag26 Ag 0.558450(9) 0.867074(10) -0.20778(2) 0.03779(14) Uani 1 1 d .
Ag27 Ag 0.506587(9) 0.847652(9) -0.22596(2) 0.03512(13) Uani 1 1 d .
Ag28 Ag 0.464961(8) 0.967467(8) -0.502574(19) 0.02647(11) Uani 1 1 d .
Ag29 Ag 0.518276(8) 0.976857(8) -0.500946(19) 0.02592(11) Uani 1 1 d .
Ag30 Ag 0.487494(8) 0.995255(8) -0.404425(19) 0.02689(11) Uani 1 1 d .
N1 N 0.69084(10) 0.25704(10) 0.7142(2) 0.0393(15) Uani 1 1 d .
N2 N 0.70326(10) 0.24748(10) 0.6785(2) 0.0398(15) Uani 1 1 d .
N3 N 0.76840(10) 0.25981(9) 0.6637(2) 0.0375(15) Uani 1 1 d .
N4 N 0.77868(10) 0.27304(10) 0.6967(2) 0.0362(15) Uani 1 1 d .
N5 N 0.74469(11) 0.29899(10) 0.8157(2) 0.0428(16) Uani 1 1 d .
N6 N 0.72304(11) 0.29445(10) 0.8188(2) 0.0371(15) Uani 1 1 d .
N7 N 0.70174(9) 0.37021(8) 0.4472(2) 0.0266(12) Uani 1 1 d .
N8 N 0.72338(9) 0.37600(9) 0.4501(2) 0.0275(13) Uani 1 1 d .
N9 N 0.74310(9) 0.41946(9) 0.5578(2) 0.0315(14) Uani 1 1 d .
N10 N 0.72931(9) 0.42533(9) 0.5953(2) 0.0296(13) Uani 1 1 d .
N11 N 0.66423(8) 0.41024(9) 0.5824(2) 0.0270(13) Uani 1 1 d .
N12 N 0.65782(8) 0.39673(9) 0.5448(2) 0.0259(12) Uani 1 1 d .
N13 N 0.72279(9) 0.41172(9) 0.3639(2) 0.0315(13) Uani 1 1 d .
N14 N 0.73135(9) 0.42589(9) 0.3983(2) 0.0297(13) Uani 1 1 d .
N15 N 0.69061(9) 0.45316(9) 0.5012(2) 0.0301(13) Uani 1 1 d .
N16 N 0.66858(9) 0.44898(9) 0.5012(2) 0.0319(13) Uani 1 1 d .
N17 N 0.64345(9) 0.40504(10) 0.4006(2) 0.0334(14) Uani 1 1 d .
N18 N 0.65780(9) 0.39688(9) 0.3665(2) 0.0316(14) Uani 1 1 d .
N19 N 0.66930(8) 0.54457(9) 0.3482(2) 0.0272(13) Uani 1 1 d .
N20 N 0.68586(9) 0.53779(9) 0.3182(2) 0.0273(13) Uani 1 1 d .
N21 N 0.67324(9) 0.49206(9) 0.2112(2) 0.0295(13) Uani 1 1 d .
N22 N 0.65369(9) 0.48229(9) 0.2029(2) 0.0295(13) Uani 1 1 d .
N23 N 0.60404(9) 0.50060(9) 0.2994(2) 0.0298(13) Uani 1 1 d .
N24 N 0.60971(9) 0.51520(9) 0.3348(2) 0.0276(13) Uani 1 1 d .
N25 N 0.61065(9) 0.53820(9) 0.2132(2) 0.0328(14) Uani 1 1 d .
N26 N 0.62479(9) 0.53081(9) 0.1778(2) 0.0321(14) Uani 1 1 d .
N27 N 0.68673(9) 0.55529(9) 0.1846(2) 0.0297(13) Uani 1 1 d .
N28 N 0.69326(8) 0.57143(9) 0.2161(2) 0.0266(12) Uani 1 1 d .
N29 N 0.64592(8) 0.59708(8) 0.3109(2) 0.0259(12) Uani 1 1 d .
N30 N 0.62775(9) 0.58475(9) 0.3145(2) 0.0327(14) Uani 1 1 d .
N31 N 0.58172(9) 0.67989(9) 0.0352(2) 0.0317(13) Uani 1 1 d .
N32 N 0.58756(9) 0.69487(9) 0.0702(2) 0.0332(14) Uani 1 1 d .
N33 N 0.64905(9) 0.72044(9) 0.0638(2) 0.0285(13) Uani 1 1 d .
N34 N 0.66408(9) 0.71312(9) 0.0299(2) 0.0280(13) Uani 1 1 d .
N35 N 0.64448(9) 0.66956(9) -0.0791(2) 0.0285(13) Uani 1 1 d .
N36 N 0.62347(9) 0.66324(9) -0.0789(2) 0.0325(14) Uani 1 1 d .
N37 N 0.59964(9) 0.76794(9) 0.0738(2) 0.0321(14) Uani 1 1 d .
N38 N 0.57894(9) 0.75997(9) 0.0737(2) 0.0309(13) Uani 1 1 d .
N39 N 0.55717(8) 0.71574(9) -0.0282(2) 0.0281(13) Uani 1 1 d .
N40 N 0.56961(9) 0.70845(9) -0.0663(2) 0.0280(13) Uani 1 1 d .
N41 N 0.63138(9) 0.73362(9) -0.0766(2) 0.0270(13) Uani 1 1 d .
N42 N 0.63946(9) 0.74734(9) -0.0415(2) 0.0273(13) Uani 1 1 d .
N43 N 0.57286(9) 0.79596(9) -0.2744(2) 0.0280(13) Uani 1 1 d .
N44 N 0.55197(9) 0.78835(9) -0.2715(2) 0.0287(13) Uani 1 1 d .
N45 N 0.51222(9) 0.80693(10) -0.1582(2) 0.0335(14) Uani 1 1 d .
N46 N 0.51814(9) 0.82016(9) -0.1195(2) 0.0290(13) Uani 1 1 d .
N47 N 0.58206(9) 0.84055(9) -0.1191(2) 0.0271(13) Uani 1 1 d .
N48 N 0.59422(9) 0.83549(9) -0.1603(2) 0.0277(13) Uani 1 1 d .
N49 N 0.57889(9) 0.85362(10) -0.3019(2) 0.0365(15) Uani 1 1 d .
N50 N 0.58253(9) 0.86601(10) -0.2608(2) 0.0360(15) Uani 1 1 d .
N51 N 0.53353(9) 0.87521(10) -0.1593(2) 0.0365(15) Uani 1 1 d .
N52 N 0.51216(9) 0.86908(10) -0.1681(2) 0.0327(14) Uani 1 1 d .
N53 N 0.50115(9) 0.83043(9) -0.2909(2) 0.0326(14) Uani 1 1 d .
N54 N 0.51845(9) 0.82592(9) -0.3212(2) 0.0340(14) Uani 1 1 d .
N55 N 0.48376(8) 0.95386(8) -0.5585(2) 0.0240(12) Uani 1 1 d .
N56 N 0.50553(8) 0.95854(8) -0.5585(2) 0.0243(12) Uani 1 1 d .
N57 N 0.53312(8) 0.99091(8) -0.4399(2) 0.0264(12) Uani 1 1 d .
N58 N 0.52092(9) 0.99748(9) -0.4006(2) 0.0259(12) Uani 1 1 d .
N59 N 0.45452(9) 0.98895(9) -0.4043(2) 0.0270(12) Uani 1 1 d .
N60 N 0.44615(8) 0.97632(9) -0.4418(2) 0.0250(12) Uani 1 1 d .
C1 C 0.65225(14) 0.26489(14) 0.7335(3) 0.047(2) Uani 1 1 d .
H1A H 0.6586 0.2713 0.7634 0.071 Uiso 1 1 calc R
H1B H 0.6421 0.2534 0.7430 0.071 Uiso 1 1 calc R
H1C H 0.6446 0.2761 0.7147 0.071 Uiso 1 1 calc R
C2 C 0.66998(12) 0.25539(12) 0.7017(3) 0.0359(17) Uani 1 1 d .
C3 C 0.66822(12) 0.24417(12) 0.6569(3) 0.0357(17) Uani 1 1 d .
C4 C 0.68959(13) 0.23957(12) 0.6436(3) 0.0405(19) Uani 1 1 d .
C5 C 0.69819(13) 0.22863(14) 0.5984(3) 0.050(2) Uani 1 1 d .
H5A H 0.7140 0.2274 0.6009 0.074 Uiso 1 1 calc R
H5B H 0.6944 0.2371 0.5690 0.074 Uiso 1 1 calc R
H5C H 0.6918 0.2141 0.5957 0.074 Uiso 1 1 calc R
C6 C 0.77499(14) 0.24319(12) 0.5818(3) 0.046(2) Uani 1 1 d .
H6A H 0.7709 0.2289 0.5946 0.069 Uiso 1 1 calc R
H6B H 0.7874 0.2417 0.5592 0.069 Uiso 1 1 calc R
H6C H 0.7627 0.2495 0.5638 0.069 Uiso 1 1 calc R
C7 C 0.78103(12) 0.25759(11) 0.6240(3) 0.0345(17) Uani 1 1 d .
C8 C 0.80026(12) 0.26983(11) 0.6306(3) 0.0343(17) Uani 1 1 d .
C9 C 0.79786(12) 0.27921(12) 0.6778(3) 0.0355(17) Uani 1 1 d .
C10 C 0.81254(14) 0.29337(14) 0.7059(3) 0.052(2) Uani 1 1 d .
H10A H 0.8040 0.3030 0.7272 0.078 Uiso 1 1 calc R
H10B H 0.8212 0.3020 0.6827 0.078 Uiso 1 1 calc R
H10C H 0.8222 0.2845 0.7264 0.078 Uiso 1 1 calc R
C11 C 0.77104(14) 0.32458(14) 0.8508(3) 0.053(2) Uani 1 1 d .
H11A H 0.7814 0.3137 0.8388 0.079 Uiso 1 1 calc R
H11B H 0.7740 0.3278 0.8858 0.079 Uiso 1 1 calc R
H11C H 0.7725 0.3379 0.8311 0.079 Uiso 1 1 calc R
C12 C 0.74846(13) 0.31599(12) 0.8457(3) 0.0389(18) Uani 1 1 d .
C13 C 0.72947(12) 0.32255(12) 0.8679(3) 0.0349(17) Uani 1 1 d .
C14 C 0.71365(13) 0.30838(12) 0.8503(3) 0.0376(18) Uani 1 1 d .
C15 C 0.69000(13) 0.30740(14) 0.8603(4) 0.054(2) Uani 1 1 d .
H15A H 0.6827 0.2999 0.8329 0.081 Uiso 1 1 calc R
H15B H 0.6842 0.3221 0.8633 0.081 Uiso 1 1 calc R
H15C H 0.6874 0.2995 0.8913 0.081 Uiso 1 1 calc R
C16 C 0.67839(11) 0.34256(12) 0.4090(3) 0.0369(18) Uani 1 1 d .
H16A H 0.6688 0.3454 0.4373 0.055 Uiso 1 1 calc R
H16B H 0.6801 0.3269 0.4047 0.055 Uiso 1 1 calc R
H16C H 0.6721 0.3488 0.3788 0.055 Uiso 1 1 calc R
C17 C 0.70021(11) 0.35270(10) 0.4185(2) 0.0256(14) Uani 1 1 d .
C18 C 0.72046(10) 0.34653(10) 0.4017(2) 0.0243(14) Uani 1 1 d .
C19 C 0.73477(11) 0.36147(10) 0.4230(2) 0.0233(14) Uani 1 1 d .
C20 C 0.75877(11) 0.36405(12) 0.4172(3) 0.0384(18) Uani 1 1 d .
H20A H 0.7621 0.3792 0.4092 0.058 Uiso 1 1 calc R
H20B H 0.7639 0.3546 0.3904 0.058 Uiso 1 1 calc R
H20C H 0.7660 0.3600 0.4483 0.058 Uiso 1 1 calc R
C21 C 0.78228(12) 0.41503(13) 0.5438(3) 0.0423(19) Uani 1 1 d .
H21A H 0.7774 0.4055 0.5170 0.063 Uiso 1 1 calc R
H21B H 0.7932 0.4076 0.5638 0.063 Uiso 1 1 calc R
H21C H 0.7886 0.4282 0.5296 0.063 Uiso 1 1 calc R
C22 C 0.76361(11) 0.42080(11) 0.5756(3) 0.0303(16) Uani 1 1 d .
C23 C 0.76266(11) 0.42784(11) 0.6247(3) 0.0299(16) Uani 1 1 d .
C24 C 0.74105(10) 0.43041(10) 0.6356(3) 0.0255(15) Uani 1 1 d .
C25 C 0.73111(12) 0.43800(13) 0.6828(3) 0.0418(19) Uani 1 1 d .
H25A H 0.7153 0.4379 0.6796 0.063 Uiso 1 1 calc R
H25B H 0.7361 0.4528 0.6900 0.063 Uiso 1 1 calc R
H25C H 0.7354 0.4283 0.7100 0.063 Uiso 1 1 calc R
C26 C 0.65074(12) 0.42448(13) 0.6615(3) 0.0412(19) Uani 1 1 d .
H26A H 0.6659 0.4244 0.6720 0.062 Uiso 1 1 calc R
H26B H 0.6417 0.4185 0.6881 0.062 Uiso 1 1 calc R
H26C H 0.6462 0.4394 0.6542 0.062 Uiso 1 1 calc R
C27 C 0.64832(10) 0.41099(11) 0.6161(2) 0.0276(15) Uani 1 1 d .
C28 C 0.63138(10) 0.39755(11) 0.6011(3) 0.0275(15) Uani 1 1 d .
C29 C 0.63791(10) 0.38888(10) 0.5556(3) 0.0264(15) Uani 1 1 d .
C30 C 0.62652(11) 0.37389(12) 0.5215(3) 0.0362(17) Uani 1 1 d .
H30A H 0.6309 0.3770 0.4872 0.054 Uiso 1 1 calc R
H30B H 0.6108 0.3759 0.5248 0.054 Uiso 1 1 calc R
H30C H 0.6303 0.3589 0.5298 0.054 Uiso 1 1 calc R
C31 C 0.73236(14) 0.39441(16) 0.2851(3) 0.057(3) Uani 1 1 d .
H31A H 0.7167 0.3941 0.2795 0.085 Uiso 1 1 calc R
H31B H 0.7374 0.3797 0.2927 0.085 Uiso 1 1 calc R
H31C H 0.7397 0.3997 0.2552 0.085 Uiso 1 1 calc R
C32 C 0.73737(11) 0.40914(12) 0.3280(3) 0.0319(16) Uani 1 1 d .
C33 C 0.75549(10) 0.42139(11) 0.3378(3) 0.0264(15) Uani 1 1 d .
C34 C 0.75120(11) 0.43164(11) 0.3826(3) 0.0305(16) Uani 1 1 d .
C35 C 0.76471(12) 0.44655(14) 0.4128(3) 0.049(2) Uani 1 1 d .
H35A H 0.7623 0.4437 0.4482 0.073 Uiso 1 1 calc R
H35B H 0.7607 0.4616 0.4053 0.073 Uiso 1 1 calc R
H35C H 0.7800 0.4443 0.4048 0.073 Uiso 1 1 calc R
C36 C 0.71662(12) 0.47793(13) 0.5407(3) 0.043(2) Uani 1 1 d .
H36A H 0.7249 0.4762 0.5099 0.065 Uiso 1 1 calc R
H36B H 0.7238 0.4700 0.5676 0.065 Uiso 1 1 calc R
H36C H 0.7158 0.4933 0.5493 0.065 Uiso 1 1 calc R
C37 C 0.69427(12) 0.46923(11) 0.5334(3) 0.0319(16) Uani 1 1 d .
C38 C 0.67466(12) 0.47581(11) 0.5547(3) 0.0331(17) Uani 1 1 d .
C39 C 0.65918(11) 0.46237(11) 0.5327(3) 0.0311(16) Uani 1 1 d .
C40 C 0.63518(12) 0.46106(13) 0.5415(3) 0.044(2) Uani 1 1 d .
H40A H 0.6309 0.4458 0.5446 0.066 Uiso 1 1 calc R
H40B H 0.6275 0.4677 0.5134 0.066 Uiso 1 1 calc R
H40C H 0.6315 0.4688 0.5721 0.066 Uiso 1 1 calc R
C41 C 0.60425(12) 0.40591(14) 0.4160(3) 0.045(2) Uani 1 1 d .
H41A H 0.6089 0.4148 0.4442 0.067 Uiso 1 1 calc R
H41B H 0.5963 0.3933 0.4282 0.067 Uiso 1 1 calc R
H41C H 0.5948 0.4145 0.3943 0.067 Uiso 1 1 calc R
C42 C 0.62357(11) 0.39857(11) 0.3875(3) 0.0305(16) Uani 1 1 d .
C43 C 0.62479(11) 0.38611(11) 0.3448(3) 0.0301(16) Uani 1 1 d .
C44 C 0.64656(11) 0.38570(11) 0.3321(3) 0.0292(16) Uani 1 1 d .
C45 C 0.65777(12) 0.37497(13) 0.2900(3) 0.045(2) Uani 1 1 d .
H45A H 0.6734 0.3748 0.2963 0.067 Uiso 1 1 calc R
H45B H 0.6549 0.3830 0.2593 0.067 Uiso 1 1 calc R
H45C H 0.6525 0.3601 0.2866 0.067 Uiso 1 1 calc R
C46 C 0.66265(12) 0.56825(13) 0.4202(3) 0.0406(19) Uani 1 1 d .
H46A H 0.6524 0.5574 0.4326 0.061 Uiso 1 1 calc R
H46B H 0.6546 0.5802 0.4050 0.061 Uiso 1 1 calc R
H46C H 0.6714 0.5738 0.4479 0.061 Uiso 1 1 calc R
C47 C 0.67729(11) 0.55810(10) 0.3821(2) 0.0240(14) Uani 1 1 d .
C48 C 0.69965(10) 0.56055(10) 0.3747(2) 0.0233(14) Uani 1 1 d .
C49 C 0.70409(10) 0.54717(10) 0.3336(2) 0.0229(14) Uani 1 1 d .
C50 C 0.72485(12) 0.54338(13) 0.3071(3) 0.0395(18) Uani 1 1 d .
H50A H 0.7225 0.5445 0.2712 0.059 Uiso 1 1 calc R
H50B H 0.7303 0.5289 0.3152 0.059 Uiso 1 1 calc R
H50C H 0.7355 0.5543 0.3175 0.059 Uiso 1 1 calc R
C51 C 0.71141(11) 0.48822(14) 0.1862(3) 0.047(2) Uani 1 1 d .
H51A H 0.7126 0.5040 0.1880 0.071 Uiso 1 1 calc R
H51B H 0.7190 0.4830 0.1564 0.071 Uiso 1 1 calc R
H51C H 0.7180 0.4817 0.2158 0.071 Uiso 1 1 calc R
C52 C 0.68831(11) 0.48198(11) 0.1835(2) 0.0278(15) Uani 1 1 d .
C53 C 0.67833(10) 0.46527(10) 0.1564(2) 0.0243(14) Uani 1 1 d .
C54 C 0.65655(11) 0.46636(10) 0.1704(3) 0.0277(15) Uani 1 1 d .
C55 C 0.63809(12) 0.45266(13) 0.1537(3) 0.047(2) Uani 1 1 d .
H55A H 0.6249 0.4615 0.1521 0.071 Uiso 1 1 calc R
H55B H 0.6360 0.4408 0.1773 0.071 Uiso 1 1 calc R
H55C H 0.6412 0.4467 0.1208 0.071 Uiso 1 1 calc R
C56 C 0.57332(13) 0.47714(13) 0.2767(3) 0.052(2) Uani 1 1 d .
H56A H 0.5841 0.4667 0.2651 0.077 Uiso 1 1 calc R
H56B H 0.5668 0.4845 0.2481 0.077 Uiso 1 1 calc R
H56C H 0.5621 0.4695 0.2955 0.077 Uiso 1 1 calc R
C57 C 0.58405(10) 0.49361(11) 0.3096(3) 0.0279(15) Uani 1 1 d .
C58 C 0.57627(10) 0.50349(10) 0.3523(2) 0.0255(14) Uani 1 1 d .
C59 C 0.59327(10) 0.51708(11) 0.3667(3) 0.0266(15) Uani 1 1 d .
C60 C 0.59503(12) 0.53189(13) 0.4105(3) 0.0414(19) Uani 1 1 d .
H60A H 0.6020 0.5454 0.4004 0.062 Uiso 1 1 calc R
H60B H 0.6037 0.5249 0.4365 0.062 Uiso 1 1 calc R
H60C H 0.5805 0.5350 0.4234 0.062 Uiso 1 1 calc R
C61 C 0.57159(12) 0.54008(14) 0.2296(3) 0.046(2) Uani 1 1 d .
H61A H 0.5743 0.5352 0.2637 0.069 Uiso 1 1 calc R
H61B H 0.5586 0.5330 0.2167 0.069 Uiso 1 1 calc R
H61C H 0.5695 0.5558 0.2294 0.069 Uiso 1 1 calc R
C62 C 0.59039(11) 0.53447(12) 0.1978(3) 0.0320(16) Uani 1 1 d .
C63 C 0.59112(11) 0.52468(12) 0.1513(3) 0.0355(17) Uani 1 1 d .
C64 C 0.61316(12) 0.52244(12) 0.1400(3) 0.0344(17) Uani 1 1 d .
C65 C 0.62386(13) 0.51306(14) 0.0952(3) 0.052(2) Uani 1 1 d .
H65A H 0.6368 0.5216 0.0870 0.077 Uiso 1 1 calc R
H65B H 0.6137 0.5134 0.0671 0.077 Uiso 1 1 calc R
H65C H 0.6281 0.4981 0.1020 0.077 Uiso 1 1 calc R
C66 C 0.69961(13) 0.53669(13) 0.1086(3) 0.046(2) Uani 1 1 d .
H66A H 0.6917 0.5241 0.1214 0.069 Uiso 1 1 calc R
H66B H 0.7141 0.5322 0.0975 0.069 Uiso 1 1 calc R
H66C H 0.6916 0.5429 0.0805 0.069 Uiso 1 1 calc R
C67 C 0.70174(11) 0.55341(11) 0.1488(3) 0.0284(15) Uani 1 1 d .
C68 C 0.71838(10) 0.56840(10) 0.1566(2) 0.0242(14) Uani 1 1 d .
C69 C 0.71200(10) 0.57910(11) 0.1998(3) 0.0272(15) Uani 1 1 d .
C70 C 0.72341(11) 0.59709(12) 0.2270(3) 0.0390(18) Uani 1 1 d .
H70A H 0.7127 0.6065 0.2428 0.058 Uiso 1 1 calc R
H70B H 0.7321 0.6056 0.2034 0.058 Uiso 1 1 calc R
H70C H 0.7329 0.5909 0.2524 0.058 Uiso 1 1 calc R
C71 C 0.65826(11) 0.63429(11) 0.3294(3) 0.0334(17) Uani 1 1 d .
H71A H 0.6724 0.6283 0.3203 0.050 Uiso 1 1 calc R
H71B H 0.6590 0.6403 0.3631 0.050 Uiso 1 1 calc R
H71C H 0.6543 0.6457 0.3059 0.050 Uiso 1 1 calc R
C72 C 0.64199(11) 0.61707(11) 0.3279(3) 0.0285(15) Uani 1 1 d .
C73 C 0.61990(10) 0.61780(10) 0.3423(3) 0.0258(15) Uani 1 1 d .
C74 C 0.61202(11) 0.59744(12) 0.3333(3) 0.0303(16) Uani 1 1 d .
C75 C 0.58949(11) 0.58855(12) 0.3396(3) 0.0401(19) Uani 1 1 d .
H75A H 0.5879 0.5754 0.3195 0.060 Uiso 1 1 calc R
H75B H 0.5789 0.5994 0.3288 0.060 Uiso 1 1 calc R
H75C H 0.5870 0.5850 0.3747 0.060 Uiso 1 1 calc R
C76 C 0.55286(12) 0.65276(13) 0.0208(3) 0.0413(19) Uani 1 1 d .
H76A H 0.5516 0.6579 -0.0135 0.062 Uiso 1 1 calc R
H76B H 0.5384 0.6500 0.0342 0.062 Uiso 1 1 calc R
H76C H 0.5614 0.6394 0.0214 0.062 Uiso 1 1 calc R
C77 C 0.56378(11) 0.66941(11) 0.0513(3) 0.0300(16) Uani 1 1 d .
C78 C 0.55804(11) 0.67783(12) 0.0976(3) 0.0325(16) Uani 1 1 d .
C79 C 0.57329(11) 0.69373(11) 0.1081(3) 0.0314(16) Uani 1 1 d .
C80 C 0.57588(13) 0.70806(13) 0.1528(3) 0.046(2) Uani 1 1 d .
H80A H 0.5913 0.7106 0.1590 0.069 Uiso 1 1 calc R
H80B H 0.5693 0.7010 0.1818 0.069 Uiso 1 1 calc R
H80C H 0.5687 0.7219 0.1467 0.069 Uiso 1 1 calc R
C81 C 0.64795(14) 0.73854(13) 0.1458(3) 0.045(2) Uani 1 1 d .
H81A H 0.6339 0.7440 0.1342 0.068 Uiso 1 1 calc R
H81B H 0.6565 0.7505 0.1595 0.068 Uiso 1 1 calc R
H81C H 0.6456 0.7276 0.1716 0.068 Uiso 1 1 calc R
C82 C 0.66003(11) 0.72850(11) 0.1027(2) 0.0298(16) Uani 1 1 d .
C83 C 0.68201(12) 0.72615(11) 0.0955(3) 0.0318(16) Uani 1 1 d .
C84 C 0.68380(12) 0.71636(11) 0.0487(3) 0.0323(16) Uani 1 1 d .
C85 C 0.70351(12) 0.71046(14) 0.0196(3) 0.047(2) Uani 1 1 d .
H85A H 0.6993 0.7014 -0.0088 0.070 Uiso 1 1 calc R
H85B H 0.7136 0.7024 0.0409 0.070 Uiso 1 1 calc R
H85C H 0.7106 0.7237 0.0076 0.070 Uiso 1 1 calc R
C86 C 0.67968(12) 0.65734(12) -0.1123(3) 0.0407(19) Uani 1 1 d .
H86A H 0.6849 0.6700 -0.0939 0.061 Uiso 1 1 calc R
H86B H 0.6826 0.6593 -0.1478 0.061 Uiso 1 1 calc R
H86C H 0.6872 0.6443 -0.1005 0.061 Uiso 1 1 calc R
C87 C 0.65613(11) 0.65490(10) -0.1044(2) 0.0258(15) Uani 1 1 d .
C88 C 0.64224(11) 0.63866(10) -0.1210(2) 0.0271(15) Uani 1 1 d .
C89 C 0.62180(11) 0.64457(11) -0.1043(3) 0.0303(16) Uani 1 1 d .
C90 C 0.60044(12) 0.63329(13) -0.1109(3) 0.0420(19) Uani 1 1 d .
H90A H 0.5908 0.6369 -0.0832 0.063 Uiso 1 1 calc R
H90B H 0.6028 0.6176 -0.1118 0.063 Uiso 1 1 calc R
H90C H 0.5938 0.6380 -0.1422 0.063 Uiso 1 1 calc R
C91 C 0.62039(13) 0.79839(13) 0.1090(4) 0.052(2) Uani 1 1 d .
H91A H 0.6287 0.7981 0.0780 0.078 Uiso 1 1 calc R
H91B H 0.6289 0.7918 0.1357 0.078 Uiso 1 1 calc R
H91C H 0.6170 0.8134 0.1175 0.078 Uiso 1 1 calc R
C92 C 0.59996(12) 0.78600(11) 0.1024(3) 0.0354(17) Uani 1 1 d .
C93 C 0.57908(12) 0.78974(11) 0.1203(3) 0.0322(16) Uani 1 1 d .
C94 C 0.56669(11) 0.77299(11) 0.1021(3) 0.0304(16) Uani 1 1 d .
C95 C 0.54287(12) 0.76851(13) 0.1086(3) 0.045(2) Uani 1 1 d .
H95A H 0.5407 0.7530 0.1141 0.068 Uiso 1 1 calc R
H95B H 0.5350 0.7730 0.0787 0.068 Uiso 1 1 calc R
H95C H 0.5374 0.7766 0.1373 0.068 Uiso 1 1 calc R
C96 C 0.51915(12) 0.71555(14) -0.0009(3) 0.048(2) Uani 1 1 d .
H96A H 0.5226 0.7295 0.0146 0.072 Uiso 1 1 calc R
H96B H 0.5178 0.7044 0.0249 0.072 Uiso 1 1 calc R
H96C H 0.5054 0.7168 -0.0191 0.072 Uiso 1 1 calc R
C97 C 0.53681(11) 0.70935(11) -0.0361(3) 0.0308(16) Uani 1 1 d .
C98 C 0.53581(11) 0.69790(11) -0.0808(3) 0.0280(15) Uani 1 1 d .
C99 C 0.55688(11) 0.69778(11) -0.0987(3) 0.0310(16) Uani 1 1 d .
C100 C 0.56607(12) 0.68748(14) -0.1444(3) 0.042(2) Uani 1 1 d .
H10D H 0.5803 0.6813 -0.1368 0.063 Uiso 1 1 calc R
H10E H 0.5676 0.6984 -0.1705 0.063 Uiso 1 1 calc R
H10F H 0.5563 0.6760 -0.1558 0.063 Uiso 1 1 calc R
C101 C 0.64107(12) 0.71852(12) -0.1584(3) 0.0391(18) Uani 1 1 d .
H10G H 0.6254 0.7179 -0.1640 0.059 Uiso 1 1 calc R
H10H H 0.6467 0.7039 -0.1527 0.059 Uiso 1 1 calc R
H10I H 0.6481 0.7248 -0.1877 0.059 Uiso 1 1 calc R
C102 C 0.64565(10) 0.73230(11) -0.1140(2) 0.0258(14) Uani 1 1 d .
C103 C 0.66335(10) 0.74566(11) -0.1038(3) 0.0271(15) Uani 1 1 d .
C104 C 0.65881(11) 0.75480(11) -0.0574(3) 0.0296(16) Uani 1 1 d .
C105 C 0.67200(11) 0.76936(12) -0.0258(3) 0.0369(18) Uani 1 1 d .
H10J H 0.6701 0.7654 0.0091 0.055 Uiso 1 1 calc R
H10K H 0.6673 0.7844 -0.0308 0.055 Uiso 1 1 calc R
H10L H 0.6873 0.7680 -0.0349 0.055 Uiso 1 1 calc R
C106 C 0.60514(11) 0.79234(13) -0.3271(3) 0.042(2) Uani 1 1 d .
H10M H 0.6090 0.8070 -0.3162 0.064 Uiso 1 1 calc R
H10N H 0.6075 0.7911 -0.3630 0.064 Uiso 1 1 calc R
H10O H 0.6142 0.7818 -0.3097 0.064 Uiso 1 1 calc R
C107 C 0.58185(11) 0.78802(11) -0.3155(3) 0.0318(16) Uani 1 1 d .
C108 C 0.56659(11) 0.77515(11) -0.3399(3) 0.0283(15) Uani 1 1 d .
C109 C 0.54811(11) 0.77593(11) -0.3111(3) 0.0313(16) Uani 1 1 d .
C110 C 0.52640(11) 0.76599(12) -0.3184(3) 0.0377(18) Uani 1 1 d .
H11D H 0.5151 0.7768 -0.3116 0.057 Uiso 1 1 calc R
H11E H 0.5247 0.7537 -0.2956 0.057 Uiso 1 1 calc R
H11F H 0.5250 0.7609 -0.3527 0.057 Uiso 1 1 calc R
C111 C 0.48149(13) 0.78479(14) -0.1862(3) 0.046(2) Uani 1 1 d .
H11G H 0.4922 0.7742 -0.1977 0.069 Uiso 1 1 calc R
H11H H 0.4759 0.7930 -0.2147 0.069 Uiso 1 1 calc R
H11I H 0.4695 0.7772 -0.1699 0.069 Uiso 1 1 calc R
C112 C 0.49196(11) 0.80013(11) -0.1499(3) 0.0324(16) Uani 1 1 d .
C113 C 0.48448(11) 0.80864(11) -0.1053(3) 0.0322(16) Uani 1 1 d .
C114 C 0.50158(11) 0.82120(11) -0.0877(3) 0.0314(16) Uani 1 1 d .
C115 C 0.50327(13) 0.83480(14) -0.0423(3) 0.050(2) Uani 1 1 d .
H11J H 0.5109 0.8483 -0.0503 0.075 Uiso 1 1 calc R
H11K H 0.5113 0.8269 -0.0167 0.075 Uiso 1 1 calc R
H11L H 0.4887 0.8382 -0.0300 0.075 Uiso 1 1 calc R
C116 C 0.58511(12) 0.86053(13) -0.0403(3) 0.0400(18) Uani 1 1 d .
H11M H 0.5698 0.8565 -0.0378 0.060 Uiso 1 1 calc R
H11N H 0.5866 0.8763 -0.0366 0.060 Uiso 1 1 calc R
H11O H 0.5933 0.8532 -0.0140 0.060 Uiso 1 1 calc R
C117 C 0.59381(11) 0.85366(11) -0.0905(3) 0.0299(16) Uani 1 1 d .
C118 C 0.61368(11) 0.85746(10) -0.1127(3) 0.0265(15) Uani 1 1 d .
C119 C 0.61321(11) 0.84537(11) -0.1560(3) 0.0280(15) Uani 1 1 d .
C120 C 0.63010(11) 0.84251(12) -0.1958(3) 0.0348(17) Uani 1 1 d .
H12A H 0.6234 0.8444 -0.2285 0.052 Uiso 1 1 calc R
H12B H 0.6363 0.8279 -0.1934 0.052 Uiso 1 1 calc R
H12C H 0.6416 0.8533 -0.1914 0.052 Uiso 1 1 calc R
C121 C 0.59396(14) 0.84764(14) -0.3859(4) 0.056(2) Uani 1 1 d .
H12D H 0.5874 0.8333 -0.3826 0.084 Uiso 1 1 calc R
H12E H 0.6090 0.8461 -0.3969 0.084 Uiso 1 1 calc R
H12F H 0.5858 0.8561 -0.4105 0.084 Uiso 1 1 calc R
C122 C 0.59337(11) 0.85893(11) -0.3372(3) 0.0311(16) Uani 1 1 d .
C123 C 0.60689(11) 0.87551(10) -0.3187(3) 0.0295(16) Uani 1 1 d .
C124 C 0.59916(11) 0.87931(11) -0.2709(3) 0.0315(16) Uani 1 1 d .
C125 C 0.60720(12) 0.89508(13) -0.2330(3) 0.044(2) Uani 1 1 d .
H12G H 0.5950 0.9002 -0.2128 0.066 Uiso 1 1 calc R
H12H H 0.6140 0.9074 -0.2497 0.066 Uiso 1 1 calc R
H12I H 0.6178 0.8879 -0.2115 0.066 Uiso 1 1 calc R
C126 C 0.55431(13) 0.90280(15) -0.1143(4) 0.055(2) Uani 1 1 d .
H12J H 0.5651 0.8913 -0.1097 0.083 Uiso 1 1 calc R
H12K H 0.5520 0.9104 -0.0827 0.083 Uiso 1 1 calc R
H12L H 0.5595 0.9131 -0.1393 0.083 Uiso 1 1 calc R
C127 C 0.53347(12) 0.89303(12) -0.1312(3) 0.0354(17) Uani 1 1 d .
C128 C 0.51235(12) 0.89874(12) -0.1202(3) 0.0337(17) Uani 1 1 d .
C129 C 0.49970(11) 0.88314(12) -0.1436(3) 0.0312(16) Uani 1 1 d .
C130 C 0.47526(12) 0.88067(15) -0.1439(3) 0.053(2) Uani 1 1 d .
H13A H 0.4707 0.8741 -0.1753 0.079 Uiso 1 1 calc R
H13B H 0.4685 0.8950 -0.1403 0.079 Uiso 1 1 calc R
H13C H 0.4708 0.8714 -0.1162 0.079 Uiso 1 1 calc R
C131 C 0.46118(11) 0.83030(14) -0.2955(3) 0.043(2) Uani 1 1 d .
H13D H 0.4607 0.8235 -0.2625 0.064 Uiso 1 1 calc R
H13E H 0.4503 0.8236 -0.3169 0.064 Uiso 1 1 calc R
H13F H 0.4581 0.8458 -0.2923 0.064 Uiso 1 1 calc R
C132 C 0.48307(11) 0.82722(11) -0.3176(3) 0.0304(16) Uani 1 1 d .
C133 C 0.48857(11) 0.82063(11) -0.3659(3) 0.0288(15) Uani 1 1 d .
C134 C 0.51111(11) 0.81980(10) -0.3659(3) 0.0297(16) Uani 1 1 d .
C135 C 0.52629(12) 0.81375(13) -0.4064(3) 0.044(2) Uani 1 1 d .
H13G H 0.5396 0.8223 -0.4033 0.066 Uiso 1 1 calc R
H13H H 0.5195 0.8167 -0.4386 0.066 Uiso 1 1 calc R
H13I H 0.5298 0.7983 -0.4039 0.066 Uiso 1 1 calc R
C136 C 0.45849(11) 0.92918(12) -0.6005(3) 0.0412(19) Uani 1 1 d .
H13J H 0.4495 0.9313 -0.5709 0.062 Uiso 1 1 calc R
H13K H 0.4594 0.9137 -0.6080 0.062 Uiso 1 1 calc R
H13L H 0.4520 0.9368 -0.6287 0.062 Uiso 1 1 calc R
C137 C 0.48036(10) 0.93775(10) -0.5911(3) 0.0255(15) Uani 1 1 d .
C138 C 0.50009(10) 0.93172(10) -0.6120(2) 0.0242(14) Uani 1 1 d .
C139 C 0.51562(10) 0.94545(10) -0.5906(2) 0.0237(14) Uani 1 1 d .
C140 C 0.53925(11) 0.94728(12) -0.5996(3) 0.0362(17) Uani 1 1 d .
H14A H 0.5437 0.9625 -0.5965 0.054 Uiso 1 1 calc R
H14B H 0.5426 0.9421 -0.6331 0.054 Uiso 1 1 calc R
H14C H 0.5471 0.9385 -0.5751 0.054 Uiso 1 1 calc R
C141 C 0.57140(11) 0.98547(12) -0.4638(3) 0.0380(18) Uani 1 1 d .
H14D H 0.5664 0.9730 -0.4833 0.057 Uiso 1 1 calc R
H14E H 0.5845 0.9815 -0.4453 0.057 Uiso 1 1 calc R
H14F H 0.5747 0.9976 -0.4861 0.057 Uiso 1 1 calc R
C142 C 0.55399(11) 0.99216(11) -0.4280(3) 0.0285(15) Uani 1 1 d .
C143 C 0.55590(10) 0.99972(10) -0.3793(2) 0.0247(14) Uani 1 1 d .
C144 C 0.53478(10) 1.00282(10) -0.3637(2) 0.0258(14) Uani 1 1 d .
C145 C 0.52646(12) 1.01181(13) -0.3159(3) 0.0407(19) Uani 1 1 d .
H14G H 0.5128 1.0195 -0.3219 0.061 Uiso 1 1 calc R
H14H H 0.5371 1.0219 -0.3020 0.061 Uiso 1 1 calc R
H14I H 0.5240 1.0000 -0.2923 0.061 Uiso 1 1 calc R
C146 C 0.44476(12) 1.00087(13) -0.3191(3) 0.0382(18) Uani 1 1 d .
H14J H 0.4603 1.0040 -0.3166 0.057 Uiso 1 1 calc R
H14K H 0.4402 0.9921 -0.2907 0.057 Uiso 1 1 calc R
H14L H 0.4366 1.0145 -0.3192 0.057 Uiso 1 1 calc R
C147 C 0.44034(10) 0.98879(10) -0.3662(2) 0.0249(14) Uani 1 1 d .
C148 C 0.42229(10) 0.97606(10) -0.3789(2) 0.0245(14) Uani 1 1 d .
C149 C 0.42693(10) 0.96849(11) -0.4266(2) 0.0261(15) Uani 1 1 d .
C150 C 0.41393(11) 0.95409(13) -0.4594(3) 0.0367(18) Uani 1 1 d .
H15P H 0.4189 0.9556 -0.4938 0.055 Uiso 1 1 calc R
H15Q H 0.3986 0.9581 -0.4572 0.055 Uiso 1 1 calc R
H15R H 0.4157 0.9390 -0.4487 0.055 Uiso 1 1 calc R
C151 C 0.7043(3) 0.3161(2) 0.6911(6) 0.102(5) Uani 1 1 d .
C152 C 0.7057(3) 0.3032(2) 0.6497(5) 0.090(4) Uani 1 1 d .
H15D H 0.6930 0.2964 0.6376 0.108 Uiso 1 1 calc R
C153 C 0.7246(3) 0.3000(2) 0.6254(5) 0.092(4) Uani 1 1 d .
C154 C 0.7433(2) 0.3097(2) 0.6421(5) 0.085(4) Uani 1 1 d .
H15E H 0.7565 0.3074 0.6249 0.102 Uiso 1 1 calc R
C155 C 0.7429(3) 0.3229(2) 0.6837(6) 0.095(4) Uani 1 1 d .
C156 C 0.7233(3) 0.3259(2) 0.7082(5) 0.104(5) Uani 1 1 d .
H15F H 0.7228 0.3348 0.7371 0.124 Uiso 1 1 calc R
C157 C 0.6831(3) 0.3204(2) 0.7173(6) 0.134(6) Uani 1 1 d .
H15G H 0.6715 0.3123 0.7007 0.201 Uiso 1 1 calc R
H15H H 0.6799 0.3359 0.7161 0.201 Uiso 1 1 calc R
H15I H 0.6842 0.3157 0.7519 0.201 Uiso 1 1 calc R
C158 C 0.7257(3) 0.2871(2) 0.5779(5) 0.117(5) Uani 1 1 d .
H15J H 0.7114 0.2811 0.5704 0.176 Uiso 1 1 calc R
H15K H 0.7362 0.2753 0.5818 0.176 Uiso 1 1 calc R
H15L H 0.7303 0.2966 0.5507 0.176 Uiso 1 1 calc R
C159 C 0.7626(3) 0.3344(2) 0.7021(6) 0.139(7) Uani 1 1 d .
H15M H 0.7751 0.3307 0.6811 0.208 Uiso 1 1 calc R
H15N H 0.7656 0.3300 0.7365 0.208 Uiso 1 1 calc R
H15O H 0.7602 0.3501 0.7008 0.208 Uiso 1 1 calc R
C160 C 0.69428(17) 0.34713(15) 0.5746(4) 0.059(3) Uani 1 1 d .
C161 C 0.71532(18) 0.34728(16) 0.5587(4) 0.063(3) Uani 1 1 d .
H16D H 0.7191 0.3393 0.5298 0.076 Uiso 1 1 calc R
C162 C 0.73121(15) 0.35870(16) 0.5832(4) 0.061(3) Uani 1 1 d .
C163 C 0.72537(17) 0.37080(15) 0.6240(4) 0.063(3) Uani 1 1 d .
H16E H 0.7361 0.3791 0.6408 0.076 Uiso 1 1 calc R
C164 C 0.70423(19) 0.37126(17) 0.6412(4) 0.068(3) Uani 1 1 d .
C165 C 0.68901(17) 0.35962(17) 0.6159(4) 0.069(3) Uani 1 1 d .
H16F H 0.6744 0.3601 0.6268 0.083 Uiso 1 1 calc R
C166 C 0.6770(2) 0.33367(19) 0.5504(5) 0.095(4) Uani 1 1 d .
H16G H 0.6833 0.3259 0.5221 0.142 Uiso 1 1 calc R
H16H H 0.6653 0.3431 0.5389 0.142 Uiso 1 1 calc R
H16I H 0.6713 0.3232 0.5745 0.142 Uiso 1 1 calc R
C167 C 0.75461(16) 0.35764(19) 0.5669(4) 0.089(4) Uani 1 1 d .
H16J H 0.7558 0.3484 0.5374 0.133 Uiso 1 1 calc R
H16K H 0.7635 0.3516 0.5938 0.133 Uiso 1 1 calc R
H16L H 0.7597 0.3723 0.5587 0.133 Uiso 1 1 calc R
C168 C 0.6986(2) 0.38335(19) 0.6888(4) 0.105(5) Uani 1 1 d .
H16M H 0.6830 0.3820 0.6953 0.158 Uiso 1 1 calc R
H16N H 0.7023 0.3987 0.6850 0.158 Uiso 1 1 calc R
H16O H 0.7068 0.3772 0.7166 0.158 Uiso 1 1 calc R
C169 C 0.6793(2) 0.4842(2) 0.3862(5) 0.086(4) Uani 1 1 d .
C170 C 0.6580(3) 0.4811(2) 0.3940(5) 0.093(4) Uani 1 1 d .
H17A H 0.6509 0.4893 0.4191 0.112 Uiso 1 1 calc R
C171 C 0.6469(2) 0.4674(2) 0.3684(6) 0.096(5) Uani 1 1 d .
C172 C 0.6561(3) 0.4556(2) 0.3337(6) 0.098(5) Uani 1 1 d .
H17B H 0.6474 0.4455 0.3158 0.117 Uiso 1 1 calc R
C173 C 0.6785(4) 0.4572(2) 0.3220(5) 0.120(7) Uani 1 1 d .
C174 C 0.68993(19) 0.4727(2) 0.3509(5) 0.082(4) Uani 1 1 d .
H17C H 0.7050 0.4749 0.3455 0.098 Uiso 1 1 calc R
C175 C 0.6892(3) 0.5005(2) 0.4196(5) 0.173(9) Uani 1 1 d .
H17E H 0.6781 0.5065 0.4416 0.260 Uiso 1 1 calc R
H17F H 0.6955 0.5122 0.3997 0.260 Uiso 1 1 calc R
H17G H 0.7006 0.4937 0.4395 0.260 Uiso 1 1 calc R
C176 C 0.6233(3) 0.4599(4) 0.3720(12) 0.36(2) Uani 1 1 d .
H17H H 0.6158 0.4684 0.3976 0.535 Uiso 1 1 calc R
H17I H 0.6228 0.4445 0.3809 0.535 Uiso 1 1 calc R
H17J H 0.6161 0.4621 0.3399 0.535 Uiso 1 1 calc R
C177 C 0.6926(5) 0.4465(3) 0.2869(6) 0.31(2) Uani 1 1 d .
H17K H 0.7073 0.4523 0.2902 0.467 Uiso 1 1 calc R
H17L H 0.6873 0.4490 0.2531 0.467 Uiso 1 1 calc R
H17M H 0.6927 0.4309 0.2938 0.467 Uiso 1 1 calc R
C178 C 0.64456(17) 0.58697(15) 0.1130(3) 0.057(2) Uani 1 1 d .
C179 C 0.62485(15) 0.58713(14) 0.1372(4) 0.055(2) Uani 1 1 d .
H17D H 0.6138 0.5774 0.1267 0.066 Uiso 1 1 calc R
C180 C 0.62063(15) 0.60120(15) 0.1769(3) 0.054(2) Uani 1 1 d .
C181 C 0.63702(16) 0.61472(15) 0.1920(3) 0.057(2) Uani 1 1 d .
H18A H 0.6344 0.6244 0.2188 0.068 Uiso 1 1 calc R
C182 C 0.65717(16) 0.61476(15) 0.1696(3) 0.054(2) Uani 1 1 d .
C183 C 0.66044(14) 0.60083(15) 0.1298(3) 0.055(2) Uani 1 1 d .
H18B H 0.6741 0.6008 0.1137 0.066 Uiso 1 1 calc R
C184 C 0.6480(2) 0.57240(18) 0.0683(4) 0.096(4) Uani 1 1 d .
H18D H 0.6628 0.5743 0.0558 0.144 Uiso 1 1 calc R
H18E H 0.6376 0.5762 0.0422 0.144 Uiso 1 1 calc R
H18F H 0.6459 0.5573 0.0781 0.144 Uiso 1 1 calc R
C185 C 0.59874(16) 0.6022(2) 0.2007(4) 0.087(4) Uani 1 1 d .
H18G H 0.5989 0.6129 0.2275 0.130 Uiso 1 1 calc R
H18H H 0.5950 0.5879 0.2142 0.130 Uiso 1 1 calc R
H18I H 0.5879 0.6064 0.1758 0.130 Uiso 1 1 calc R
C186 C 0.67512(17) 0.62950(17) 0.1861(4) 0.075(3) Uani 1 1 d .
H18J H 0.6702 0.6382 0.2144 0.112 Uiso 1 1 calc R
H18K H 0.6792 0.6391 0.1587 0.112 Uiso 1 1 calc R
H18L H 0.6877 0.6208 0.1961 0.112 Uiso 1 1 calc R
C187 C 0.66114(15) 0.64947(15) 0.0500(3) 0.054(2) Uani 1 1 d .
C188 C 0.65516(15) 0.66234(14) 0.0902(3) 0.052(2) Uani 1 1 d .
H18C H 0.6654 0.6722 0.1038 0.062 Uiso 1 1 calc R
C189 C 0.63464(17) 0.66108(14) 0.1108(3) 0.054(2) Uani 1 1 d .
C190 C 0.62002(16) 0.64703(16) 0.0894(4) 0.059(3) Uani 1 1 d .
H19A H 0.6059 0.6459 0.1031 0.071 Uiso 1 1 calc R
C191 C 0.62533(16) 0.63453(15) 0.0484(4) 0.058(3) Uani 1 1 d .
C192 C 0.64598(17) 0.63581(15) 0.0298(3) 0.059(3) Uani 1 1 d .
H19B H 0.6499 0.6270 0.0023 0.070 Uiso 1 1 calc R
C193 C 0.68396(16) 0.65025(18) 0.0313(4) 0.078(3) Uani 1 1 d .
H19E H 0.6855 0.6403 0.0031 0.117 Uiso 1 1 calc R
H19F H 0.6939 0.6459 0.0580 0.117 Uiso 1 1 calc R
H19G H 0.6874 0.6650 0.0207 0.117 Uiso 1 1 calc R
C194 C 0.62891(18) 0.67388(17) 0.1568(4) 0.076(3) Uani 1 1 d .
H19H H 0.6138 0.6710 0.1660 0.114 Uiso 1 1 calc R
H19I H 0.6307 0.6894 0.1502 0.114 Uiso 1 1 calc R
H19J H 0.6385 0.6696 0.1842 0.114 Uiso 1 1 calc R
C195 C 0.6090(2) 0.61915(19) 0.0257(5) 0.096(4) Uani 1 1 d .
H19K H 0.6155 0.6118 -0.0028 0.143 Uiso 1 1 calc R
H19L H 0.5963 0.6273 0.0146 0.143 Uiso 1 1 calc R
H19M H 0.6046 0.6084 0.0505 0.143 Uiso 1 1 calc R
C196 C 0.59611(16) 0.78505(16) -0.0895(5) 0.070(3) Uani 1 1 d .
C197 C 0.57561(16) 0.78347(16) -0.0676(5) 0.071(3) Uani 1 1 d .
H19C H 0.5732 0.7904 -0.0366 0.085 Uiso 1 1 calc R
C198 C 0.55888(17) 0.77227(18) -0.0891(5) 0.075(3) Uani 1 1 d .
C199 C 0.5628(2) 0.76202(19) -0.1328(6) 0.085(4) Uani 1 1 d .
H19D H 0.5512 0.7542 -0.1478 0.103 Uiso 1 1 calc R
C200 C 0.5825(3) 0.76239(19) -0.1567(5) 0.092(4) Uani 1 1 d .
C201 C 0.59877(19) 0.77403(19) -0.1344(5) 0.080(4) Uani 1 1 d .
H20D H 0.6125 0.7746 -0.1503 0.096 Uiso 1 1 calc R
C202 C 0.61304(18) 0.79819(17) -0.0663(6) 0.110(5) Uani 1 1 d .
H20G H 0.6262 0.7975 -0.0864 0.165 Uiso 1 1 calc R
H20H H 0.6161 0.7926 -0.0329 0.165 Uiso 1 1 calc R
H20I H 0.6081 0.8133 -0.0639 0.165 Uiso 1 1 calc R
C203 C 0.53685(17) 0.7704(2) -0.0651(6) 0.116(6) Uani 1 1 d .
H20J H 0.5273 0.7618 -0.0864 0.175 Uiso 1 1 calc R
H20K H 0.5307 0.7849 -0.0607 0.175 Uiso 1 1 calc R
H20L H 0.5383 0.7634 -0.0327 0.175 Uiso 1 1 calc R
C204 C 0.5871(3) 0.7506(2) -0.2047(6) 0.144(7) Uani 1 1 d .
H20M H 0.6022 0.7532 -0.2146 0.216 Uiso 1 1 calc R
H20N H 0.5774 0.7560 -0.2307 0.216 Uiso 1 1 calc R
H20O H 0.5848 0.7351 -0.2000 0.216 Uiso 1 1 calc R
C205 C 0.5274(2) 0.88355(14) -0.3616(4) 0.065(3) Uani 1 1 d .
C206 C 0.54194(17) 0.89489(15) -0.3341(4) 0.065(3) Uani 1 1 d .
H20E H 0.5565 0.8956 -0.3455 0.078 Uiso 1 1 calc R
C207 C 0.53682(16) 0.90549(14) -0.2905(4) 0.055(2) Uani 1 1 d .
C208 C 0.51578(15) 0.90428(13) -0.2749(3) 0.052(2) Uani 1 1 d .
H20F H 0.5118 0.9114 -0.2450 0.063 Uiso 1 1 calc R
C209 C 0.50018(15) 0.89313(14) -0.3007(4) 0.055(2) Uani 1 1 d .
C210 C 0.50650(18) 0.88332(14) -0.3453(4) 0.062(3) Uani 1 1 d .
H21D H 0.4958 0.8762 -0.3649 0.075 Uiso 1 1 calc R
C211 C 0.5325(2) 0.87269(17) -0.4111(4) 0.100(4) Uani 1 1 d .
H21H H 0.5480 0.8741 -0.4182 0.150 Uiso 1 1 calc R
H21I H 0.5241 0.8797 -0.4375 0.150 Uiso 1 1 calc R
H21J H 0.5286 0.8573 -0.4094 0.150 Uiso 1 1 calc R
C212 C 0.55345(17) 0.91885(15) -0.2633(4) 0.075(3) Uani 1 1 d .
H21K H 0.5469 0.9251 -0.2334 0.113 Uiso 1 1 calc R
H21L H 0.5586 0.9305 -0.2850 0.113 Uiso 1 1 calc R
H21M H 0.5657 0.9096 -0.2539 0.113 Uiso 1 1 calc R
C213 C 0.47674(16) 0.89306(19) -0.2837(4) 0.082(4) Uani 1 1 d .
H21N H 0.4756 0.9007 -0.2519 0.122 Uiso 1 1 calc R
H21O H 0.4718 0.8781 -0.2797 0.122 Uiso 1 1 calc R
H21P H 0.4677 0.9004 -0.3086 0.122 Uiso 1 1 calc R
C214 C 0.48079(19) 0.92411(16) -0.4317(5) 0.072(3) Uani 1 1 d .
C215 C 0.50125(19) 0.92308(16) -0.4507(4) 0.071(3) Uani 1 1 d .
H21E H 0.5037 0.9159 -0.4814 0.085 Uiso 1 1 calc R
C216 C 0.51844(17) 0.93246(15) -0.4254(4) 0.061(3) Uani 1 1 d .
C217 C 0.51451(18) 0.94268(14) -0.3810(5) 0.067(3) Uani 1 1 d .
H21F H 0.5264 0.9490 -0.3637 0.080 Uiso 1 1 calc R
C218 C 0.4943(2) 0.94416(17) -0.3607(4) 0.072(3) Uani 1 1 d .
C219 C 0.4778(2) 0.93466(19) -0.3865(5) 0.080(4) Uani 1 1 d .
H21G H 0.4636 0.9353 -0.3729 0.096 Uiso 1 1 calc R
C220 C 0.4627(2) 0.91316(19) -0.4607(6) 0.113(5) Uani 1 1 d .
H22A H 0.4686 0.9068 -0.4912 0.170 Uiso 1 1 calc R
H22B H 0.4516 0.9239 -0.4692 0.170 Uiso 1 1 calc R
H22C H 0.4562 0.9017 -0.4403 0.170 Uiso 1 1 calc R
C221 C 0.54167(19) 0.93145(18) -0.4446(5) 0.101(5) Uani 1 1 d .
H22D H 0.5513 0.9390 -0.4213 0.152 Uiso 1 1 calc R
H22E H 0.5425 0.9384 -0.4773 0.152 Uiso 1 1 calc R
H22F H 0.5462 0.9163 -0.4474 0.152 Uiso 1 1 calc R
C222 C 0.4891(3) 0.95476(19) -0.3121(5) 0.115(5) Uani 1 1 d .
H22G H 0.4735 0.9537 -0.3058 0.172 Uiso 1 1 calc R
H22H H 0.4933 0.9700 -0.3133 0.172 Uiso 1 1 calc R
H22I H 0.4970 0.9475 -0.2853 0.172 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'
N N 0.0061 0.0033 '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
N1 Ag1 N6 172.6(2) . .
N1 Ag1 Ag2 61.95(18) . .
N6 Ag1 Ag2 119.39(18) . .
N2 Ag2 N3 173.7(3) . .
N2 Ag2 Ag3 83.49(18) . 13_656
N3 Ag2 Ag3 102.72(17) . 13_656
N2 Ag2 Ag1 60.08(18) . .
N3 Ag2 Ag1 121.56(17) . .
Ag3 Ag2 Ag1 82.07(2) 13_656 .
N5 Ag3 N4 174.9(2) . .
N5 Ag3 Ag2 83.62(17) . 13_656
N4 Ag3 Ag2 101.38(16) . 13_656
N7 Ag4 N12 172.2(2) . .
N7 Ag4 Ag9 117.80(15) . .
N12 Ag4 Ag9 69.51(15) . .
N7 Ag4 Ag5 61.63(15) . .
N12 Ag4 Ag5 120.60(15) . .
Ag9 Ag4 Ag5 105.10(2) . .
N8 Ag5 N9 170.1(2) . .
N8 Ag5 Ag8 99.43(15) . .
N9 Ag5 Ag8 90.44(16) . .
N8 Ag5 Ag4 61.47(15) . .
N9 Ag5 Ag4 120.49(16) . .
Ag8 Ag5 Ag4 76.603(18) . .
N11 Ag6 N10 171.8(2) . .
N18 Ag7 N13 171.9(2) . .
N18 Ag7 Ag8 121.71(16) . .
N13 Ag7 Ag8 61.49(16) . .
N15 Ag8 N14 175.7(2) . .
N15 Ag8 Ag5 109.18(16) . .
N14 Ag8 Ag5 74.81(16) . .
N15 Ag8 Ag7 119.18(16) . .
N14 Ag8 Ag7 61.92(16) . .
Ag5 Ag8 Ag7 86.329(19) . .
N17 Ag9 N16 176.3(2) . .
N17 Ag9 Ag4 84.51(17) . .
N16 Ag9 Ag4 98.47(16) . .
N24 Ag10 N19 177.1(2) . .
N24 Ag10 Ag13 82.86(16) . .
N19 Ag10 Ag13 97.00(15) . .
N24 Ag10 Ag11 120.44(15) . .
N19 Ag10 Ag11 62.43(15) . .
Ag13 Ag10 Ag11 91.72(2) . .
N21 Ag11 N20 177.5(2) . .
N21 Ag11 Ag14 78.51(17) . .
N20 Ag11 Ag14 103.12(16) . .
N21 Ag11 Ag10 119.80(15) . .
N20 Ag11 Ag10 62.34(15) . .
Ag14 Ag11 Ag10 87.678(19) . .
N22 Ag12 N23 174.0(2) . .
N25 Ag13 N30 167.3(2) . .
N25 Ag13 Ag10 101.94(17) . .
N30 Ag13 Ag10 89.70(17) . .
N25 Ag13 Ag14 62.04(16) . .
N30 Ag13 Ag14 123.81(16) . .
Ag10 Ag13 Ag14 90.25(2) . .
N27 Ag14 N26 173.3(2) . .
N27 Ag14 Ag11 78.37(16) . .
N26 Ag14 Ag11 108.30(17) . .
N27 Ag14 Ag13 117.38(16) . .
N26 Ag14 Ag13 63.27(16) . .
Ag11 Ag14 Ag13 89.58(2) . .
N28 Ag15 N29 172.8(2) . .
N31 Ag16 N36 170.2(2) . .
N31 Ag16 Ag21 97.94(16) . .
N36 Ag16 Ag21 91.79(16) . .
N31 Ag16 Ag17 61.09(17) . .
N36 Ag16 Ag17 121.79(16) . .
Ag21 Ag16 Ag17 71.602(18) . .
N32 Ag17 N33 169.7(2) . .
N32 Ag17 Ag19 120.41(16) . .
N33 Ag17 Ag19 69.20(15) . .
N32 Ag17 Ag16 62.07(17) . .
N33 Ag17 Ag16 119.49(15) . .
Ag19 Ag17 Ag16 111.57(2) . .
N34 Ag18 N35 170.8(2) . .
N37 Ag19 N42 171.4(2) . .
N37 Ag19 Ag17 91.60(16) . .
N42 Ag19 Ag17 95.26(15) . .
N37 Ag19 Ag20 61.41(15) . .
N42 Ag19 Ag20 117.02(15) . .
Ag17 Ag19 Ag20 65.359(17) . .
N38 Ag20 N39 170.2(2) . .
N38 Ag20 Ag21 123.14(16) . .
N39 Ag20 Ag21 60.56(15) . .
N38 Ag20 Ag19 60.75(16) . .
N39 Ag20 Ag19 123.44(15) . .
Ag21 Ag20 Ag19 62.921(16) . .
N41 Ag21 N40 176.1(2) . .
N41 Ag21 Ag16 112.46(15) . .
N40 Ag21 Ag16 71.48(15) . .
N41 Ag21 Ag20 117.73(16) . .
N40 Ag21 Ag20 61.79(15) . .
Ag16 Ag21 Ag20 88.653(19) . .
N48 Ag22 N43 178.8(2) . .
N48 Ag22 Ag23 119.05(15) . .
N43 Ag22 Ag23 62.11(16) . .
N44 Ag23 N45 175.2(2) . .
N44 Ag23 Ag22 62.20(15) . .
N45 Ag23 Ag22 121.33(16) . .
N46 Ag24 N47 177.0(2) . .
N46 Ag24 Ag26 110.92(16) . .
N47 Ag24 Ag26 69.45(16) . .
N49 Ag25 N54 169.4(2) . .
N49 Ag25 Ag26 62.55(18) . .
N54 Ag25 Ag26 120.51(17) . .
N50 Ag26 N51 167.3(2) . .
N50 Ag26 Ag25 62.79(17) . .
N51 Ag26 Ag25 121.17(17) . .
N50 Ag26 Ag24 126.64(17) . .
N51 Ag26 Ag24 65.66(17) . .
Ag25 Ag26 Ag24 101.03(2) . .
N52 Ag27 N53 171.1(2) . .
N55 Ag28 N60 171.1(2) . .
N55 Ag28 Ag29 61.97(14) . .
N60 Ag28 Ag29 119.59(15) . .
N57 Ag29 N56 171.5(2) . .
N57 Ag29 Ag30 118.08(15) . 9_674
N56 Ag29 Ag30 69.19(15) . 9_674
N57 Ag29 Ag28 121.25(15) . .
N56 Ag29 Ag28 61.44(14) . .
Ag30 Ag29 Ag28 88.415(17) 9_674 .
N58 Ag30 N59 172.4(2) . .
N58 Ag30 Ag29 96.83(15) . 9_674
N59 Ag30 Ag29 89.57(15) . 9_674
C2 N1 N2 109.4(6) . .
C2 N1 Ag1 134.3(5) . .
N2 N1 Ag1 115.7(5) . .
C4 N2 N1 107.2(6) . .
C4 N2 Ag2 129.1(5) . .
N1 N2 Ag2 121.9(5) . .
C7 N3 N4 108.2(6) . .
C7 N3 Ag2 130.9(6) . .
N4 N3 Ag2 119.4(4) . .
C9 N4 N3 109.5(6) . .
C9 N4 Ag3 129.6(5) . .
N3 N4 Ag3 119.8(5) . .
C12 N5 N6 107.0(6) . .
C12 N5 Ag3 133.5(6) . .
N6 N5 Ag3 117.6(5) . .
C14 N6 N5 109.3(6) . .
C14 N6 Ag1 127.1(5) . .
N5 N6 Ag1 122.1(5) . .
C17 N7 N8 108.1(5) . .
C17 N7 Ag4 132.3(5) . .
N8 N7 Ag4 118.7(4) . .
C19 N8 N7 107.5(5) . .
C19 N8 Ag5 133.4(5) . .
N7 N8 Ag5 118.2(4) . .
C22 N9 N10 107.7(6) . .
C22 N9 Ag5 127.0(5) . .
N10 N9 Ag5 120.2(4) . .
C24 N10 N9 108.8(5) . .
C24 N10 Ag6 131.7(5) . .
N9 N10 Ag6 118.4(4) . .
C27 N11 N12 108.0(5) . .
C27 N11 Ag6 131.5(5) . .
N12 N11 Ag6 118.9(4) . .
C29 N12 N11 108.8(5) . .
C29 N12 Ag4 128.5(5) . .
N11 N12 Ag4 120.7(4) . .
C32 N13 N14 107.8(5) . .
C32 N13 Ag7 132.8(5) . .
N14 N13 Ag7 118.5(4) . .
C34 N14 N13 107.8(6) . .
C34 N14 Ag8 132.6(5) . .
N13 N14 Ag8 118.1(4) . .
C37 N15 N16 107.8(6) . .
C37 N15 Ag8 130.5(5) . .
N16 N15 Ag8 121.2(4) . .
C39 N16 N15 108.3(6) . .
C39 N16 Ag9 131.7(5) . .
N15 N16 Ag9 119.8(4) . .
C42 N17 N18 107.8(6) . .
C42 N17 Ag9 135.3(5) . .
N18 N17 Ag9 116.4(4) . .
C44 N18 N17 108.4(5) . .
C44 N18 Ag7 129.4(5) . .
N17 N18 Ag7 122.1(4) . .
C47 N19 N20 108.7(5) . .
C47 N19 Ag10 133.2(5) . .
N20 N19 Ag10 117.3(4) . .
C49 N20 N19 108.3(5) . .
C49 N20 Ag11 133.8(5) . .
N19 N20 Ag11 117.8(4) . .
C52 N21 N22 108.4(5) . .
C52 N21 Ag11 126.3(4) . .
N22 N21 Ag11 124.7(4) . .
C54 N22 N21 108.5(5) . .
C54 N22 Ag12 133.9(5) . .
N21 N22 Ag12 117.1(4) . .
C57 N23 N24 107.9(5) . .
C57 N23 Ag12 134.7(5) . .
N24 N23 Ag12 117.1(4) . .
C59 N24 N23 108.2(5) . .
C59 N24 Ag10 127.2(5) . .
N23 N24 Ag10 124.3(4) . .
C62 N25 N26 108.8(6) . .
C62 N25 Ag13 129.6(5) . .
N26 N25 Ag13 119.1(4) . .
C64 N26 N25 108.3(5) . .
C64 N26 Ag14 133.6(5) . .
N25 N26 Ag14 115.6(4) . .
C67 N27 N28 107.7(5) . .
C67 N27 Ag14 126.3(5) . .
N28 N27 Ag14 124.6(4) . .
C69 N28 N27 108.3(5) . .
C69 N28 Ag15 131.9(5) . .
N27 N28 Ag15 118.2(4) . .
C72 N29 N30 110.0(5) . .
C72 N29 Ag15 133.5(5) . .
N30 N29 Ag15 114.9(4) . .
C74 N30 N29 107.2(5) . .
C74 N30 Ag13 123.3(5) . .
N29 N30 Ag13 122.2(4) . .
C77 N31 N32 108.6(6) . .
C77 N31 Ag16 131.6(5) . .
N32 N31 Ag16 119.3(4) . .
C79 N32 N31 108.3(6) . .
C79 N32 Ag17 133.1(5) . .
N31 N32 Ag17 117.5(4) . .
C82 N33 N34 107.4(5) . .
C82 N33 Ag17 127.8(5) . .
N34 N33 Ag17 121.2(4) . .
C84 N34 N33 108.2(5) . .
C84 N34 Ag18 131.0(5) . .
N33 N34 Ag18 118.7(4) . .
C87 N35 N36 108.7(5) . .
C87 N35 Ag18 131.6(5) . .
N36 N35 Ag18 117.3(4) . .
C89 N36 N35 108.6(6) . .
C89 N36 Ag16 125.9(5) . .
N35 N36 Ag16 121.0(4) . .
C92 N37 N38 108.0(5) . .
C92 N37 Ag19 132.7(5) . .
N38 N37 Ag19 117.0(4) . .
C94 N38 N37 108.1(5) . .
C94 N38 Ag20 130.0(5) . .
N37 N38 Ag20 120.7(4) . .
C97 N39 N40 108.4(6) . .
C97 N39 Ag20 130.6(5) . .
N40 N39 Ag20 120.6(4) . .
C99 N40 N39 108.7(5) . .
C99 N40 Ag21 133.2(5) . .
N39 N40 Ag21 116.9(4) . .
C102 N41 N42 108.6(5) . .
C102 N41 Ag21 129.5(5) . .
N42 N41 Ag21 121.8(4) . .
C104 N42 N41 108.4(5) . .
C104 N42 Ag19 130.9(5) . .
N41 N42 Ag19 120.3(4) . .
C107 N43 N44 108.2(5) . .
C107 N43 Ag22 135.1(5) . .
N44 N43 Ag22 116.7(4) . .
C109 N44 N43 108.6(6) . .
C109 N44 Ag23 132.4(5) . .
N43 N44 Ag23 118.8(4) . .
C112 N45 N46 108.0(6) . .
C112 N45 Ag23 128.7(5) . .
N46 N45 Ag23 123.3(4) . .
C114 N46 N45 108.1(5) . .
C114 N46 Ag24 134.3(5) . .
N45 N46 Ag24 117.2(4) . .
C117 N47 N48 107.9(5) . .
C117 N47 Ag24 133.4(5) . .
N48 N47 Ag24 117.9(4) . .
C119 N48 N47 108.0(5) . .
C119 N48 Ag22 128.7(5) . .
N47 N48 Ag22 123.4(4) . .
C122 N49 N50 109.1(6) . .
C122 N49 Ag25 131.2(5) . .
N50 N49 Ag25 117.2(4) . .
C124 N50 N49 107.7(6) . .
C124 N50 Ag26 132.2(5) . .
N49 N50 Ag26 117.4(4) . .
C127 N51 N52 108.5(6) . .
C127 N51 Ag26 123.9(5) . .
N52 N51 Ag26 122.0(5) . .
C129 N52 N51 106.7(6) . .
C129 N52 Ag27 133.7(5) . .
N51 N52 Ag27 117.2(4) . .
C132 N53 N54 107.5(6) . .
C132 N53 Ag27 131.4(5) . .
N54 N53 Ag27 118.6(4) . .
C134 N54 N53 109.1(6) . .
C134 N54 Ag25 125.5(5) . .
N53 N54 Ag25 122.0(4) . .
C137 N55 N56 108.0(5) . .
C137 N55 Ag28 133.3(4) . .
N56 N55 Ag28 117.4(4) . .
C139 N56 N55 109.1(5) . .
C139 N56 Ag29 129.5(4) . .
N55 N56 Ag29 119.1(4) . .
C142 N57 N58 109.3(5) . .
C142 N57 Ag29 130.1(5) . .
N58 N57 Ag29 119.8(4) . .
C144 N58 N57 107.1(5) . .
C144 N58 Ag30 133.1(5) . .
N57 N58 Ag30 119.5(4) . .
C147 N59 N60 108.0(5) . .
C147 N59 Ag30 129.8(4) . .
N60 N59 Ag30 118.3(4) . .
C149 N60 N59 108.3(5) . .
C149 N60 Ag28 129.5(4) . .
N59 N60 Ag28 121.1(4) . .
N1 C2 C3 109.4(7) . .
N1 C2 C1 121.8(7) . .
C3 C2 C1 128.8(7) . .
C2 C3 C4 104.5(7) . .
C2 C3 C128 129.3(7) . 4_455
C4 C3 C128 126.2(7) . 4_455
N2 C4 C3 109.7(7) . .
N2 C4 C5 120.6(7) . .
C3 C4 C5 129.7(7) . .
N3 C7 C8 109.6(7) . .
N3 C7 C6 121.9(7) . .
C8 C7 C6 128.5(7) . .
C9 C8 C7 104.2(6) . .
C9 C8 C83 126.3(7) . 2_665
C7 C8 C83 129.3(7) . 2_665
N4 C9 C8 108.6(7) . .
N4 C9 C10 121.2(7) . .
C8 C9 C10 130.2(7) . .
N5 C12 C13 110.1(7) . .
N5 C12 C11 119.5(7) . .
C13 C12 C11 130.4(7) . .
C12 C13 C14 105.3(7) . .
C12 C13 C63 129.7(7) . 7_545
C14 C13 C63 124.9(7) . 7_545
N6 C14 C13 108.3(7) . .
N6 C14 C15 120.9(7) . .
C13 C14 C15 130.7(7) . .
N7 C17 C18 110.4(6) . .
N7 C17 C16 119.9(6) . .
C18 C17 C16 129.6(6) . .
C17 C18 C19 104.8(6) . .
C17 C18 C148 128.0(6) . 4_455
C19 C18 C148 127.1(6) . 4_455
N8 C19 C18 109.2(6) . .
N8 C19 C20 120.0(6) . .
C18 C19 C20 130.7(6) . .
N9 C22 C23 108.3(6) . .
N9 C22 C21 120.6(6) . .
C23 C22 C21 131.1(6) . .
C24 C23 C22 106.2(6) . .
C24 C23 C68 129.0(6) . 2_665
C22 C23 C68 124.8(6) . 2_665
N10 C24 C23 108.9(6) . .
N10 C24 C25 122.8(6) . .
C23 C24 C25 128.2(6) . .
N11 C27 C28 109.5(6) . .
N11 C27 C26 120.2(6) . .
C28 C27 C26 130.3(6) . .
C27 C28 C29 105.4(6) . .
C27 C28 C88 127.5(6) . 7_545
C29 C28 C88 126.9(6) . 7_545
N12 C29 C28 108.3(6) . .
N12 C29 C30 121.5(6) . .
C28 C29 C30 130.3(6) . .
N13 C32 C33 110.1(6) . .
N13 C32 C31 119.4(6) . .
C33 C32 C31 130.5(7) . .
C32 C33 C34 105.3(6) . .
C32 C33 C38 126.5(6) . 7_544
C34 C33 C38 127.9(6) . 7_544
N14 C34 C33 109.1(6) . .
N14 C34 C35 120.3(7) . .
C33 C34 C35 130.6(7) . .
N15 C37 C38 109.5(6) . .
N15 C37 C36 120.6(6) . .
C38 C37 C36 129.9(6) . .
C39 C38 C37 104.3(6) . .
C39 C38 C33 128.9(6) . 8_454
C37 C38 C33 126.4(7) . 8_454
N16 C39 C38 110.1(6) . .
N16 C39 C40 120.1(7) . .
C38 C39 C40 129.8(6) . .
N17 C42 C43 109.6(6) . .
N17 C42 C41 120.5(6) . .
C43 C42 C41 129.8(6) . .
C42 C43 C44 105.5(6) . .
C42 C43 C123 127.2(6) . 14_545
C44 C43 C123 127.3(7) . 14_545
N18 C44 C43 108.7(6) . .
N18 C44 C45 120.8(6) . .
C43 C44 C45 130.4(6) . .
N19 C47 C48 109.5(6) . .
N19 C47 C46 120.4(6) . .
C48 C47 C46 130.1(6) . .
C47 C48 C49 103.9(5) . .
C47 C48 C53 128.2(6) . 8_454
C49 C48 C53 127.4(6) . 8_454
N20 C49 C48 109.6(6) . .
N20 C49 C50 120.7(6) . .
C48 C49 C50 129.6(6) . .
N21 C52 C53 108.9(6) . .
N21 C52 C51 121.3(6) . .
C53 C52 C51 129.7(6) . .
C54 C53 C52 104.3(5) . .
C54 C53 C48 129.9(6) . 7_544
C52 C53 C48 125.6(6) . 7_544
N22 C54 C53 109.9(6) . .
N22 C54 C55 121.1(6) . .
C53 C54 C55 128.9(6) . .
N23 C57 C58 110.4(6) . .
N23 C57 C56 120.3(6) . .
C58 C57 C56 129.3(6) . .
C57 C58 C59 103.5(6) . .
C57 C58 C143 129.6(6) . 14_545
C59 C58 C143 126.7(6) . 14_545
N24 C59 C58 109.9(6) . .
N24 C59 C60 120.3(6) . .
C58 C59 C60 129.8(6) . .
N25 C62 C63 108.9(6) . .
N25 C62 C61 120.8(7) . .
C63 C62 C61 130.3(7) . .
C62 C63 C64 105.7(6) . .
C62 C63 C13 126.7(7) . 8_453
C64 C63 C13 127.1(7) . 8_453
N26 C64 C63 108.3(6) . .
N26 C64 C65 121.5(7) . .
C63 C64 C65 130.1(7) . .
N27 C67 C68 110.0(6) . .
N27 C67 C66 121.1(6) . .
C68 C67 C66 128.9(6) . .
C69 C68 C67 103.4(6) . .
C69 C68 C23 129.6(6) . 2_664
C67 C68 C23 126.9(6) . 2_664
N28 C69 C68 110.6(6) . .
N28 C69 C70 120.8(6) . .
C68 C69 C70 128.5(6) . .
N29 C72 C73 107.3(6) . .
N29 C72 C71 123.7(6) . .
C73 C72 C71 129.0(6) . .
C74 C73 C72 105.3(6) . .
C74 C73 C118 126.1(6) . 15_565
C72 C73 C118 128.6(6) . 15_565
N30 C74 C73 110.1(6) . .
N30 C74 C75 119.8(6) . .
C73 C74 C75 130.0(6) . .
N31 C77 C78 108.4(6) . .
N31 C77 C76 121.9(7) . .
C78 C77 C76 129.7(6) . .
C79 C78 C77 105.9(6) . .
C79 C78 C93 126.8(7) . 15_565
C77 C78 C93 127.3(7) . 15_565
N32 C79 C78 108.9(6) . .
N32 C79 C80 120.3(6) . .
C78 C79 C80 130.7(6) . .
N33 C82 C83 110.4(6) . .
N33 C82 C81 120.1(6) . .
C83 C82 C81 129.5(7) . .
C82 C83 C84 104.4(6) . .
C82 C83 C8 128.8(7) . 2_664
C84 C83 C8 126.3(7) . 2_664
N34 C84 C83 109.6(6) . .
N34 C84 C85 120.4(6) . .
C83 C84 C85 130.0(7) . .
N35 C87 C88 108.5(6) . .
N35 C87 C86 122.1(6) . .
C88 C87 C86 129.3(6) . .
C89 C88 C87 105.5(6) . .
C89 C88 C28 125.7(6) . 8_453
C87 C88 C28 128.8(6) . 8_453
N36 C89 C88 108.7(6) . .
N36 C89 C90 121.7(6) . .
C88 C89 C90 129.6(6) . .
N37 C92 C93 108.6(6) . .
N37 C92 C91 120.3(6) . .
C93 C92 C91 131.1(7) . .
C94 C93 C92 105.4(6) . .
C94 C93 C78 128.3(6) . 12_766
C92 C93 C78 126.3(6) . 12_766
N38 C94 C93 109.9(6) . .
N38 C94 C95 120.4(6) . .
C93 C94 C95 129.7(6) . .
N39 C97 C98 109.1(6) . .
N39 C97 C96 120.8(7) . .
C98 C97 C96 130.1(6) . .
C99 C98 C97 105.0(6) . .
C99 C98 C113 130.0(7) . 6_564
C97 C98 C113 124.2(6) . 6_564
N40 C99 C98 108.8(6) . .
N40 C99 C100 121.3(6) . .
C98 C99 C100 129.9(6) . .
N41 C102 C103 109.3(6) . .
N41 C102 C101 120.8(6) . .
C103 C102 C101 129.9(6) . .
C102 C103 C104 104.9(6) . .
C102 C103 C138 125.4(6) . 15_564
C104 C103 C138 129.5(6) . 15_564
N42 C104 C103 108.9(6) . .
N42 C104 C105 120.7(6) . .
C103 C104 C105 130.3(6) . .
N43 C107 C108 108.6(6) . .
N43 C107 C106 120.6(6) . .
C108 C107 C106 130.6(7) . .
C109 C108 C107 105.8(6) . .
C109 C108 C133 127.6(6) . 15_564
C107 C108 C133 126.2(6) . 15_564
N44 C109 C108 108.7(6) . .
N44 C109 C110 120.2(6) . .
C108 C109 C110 131.1(7) . .
N45 C112 C113 109.7(6) . .
N45 C112 C111 119.3(7) . .
C113 C112 C111 131.0(6) . .
C112 C113 C114 104.6(6) . .
C112 C113 C98 124.4(6) . 6_564
C114 C113 C98 130.3(7) . 6_564
N46 C114 C113 109.6(6) . .
N46 C114 C115 120.1(6) . .
C113 C114 C115 130.3(7) . .
N47 C117 C118 109.6(6) . .
N47 C117 C116 119.5(6) . .
C118 C117 C116 130.7(6) . .
C117 C118 C119 104.7(6) . .
C117 C118 C73 127.7(6) . 12_766
C119 C118 C73 127.4(6) . 12_766
N48 C119 C118 109.8(6) . .
N48 C119 C120 119.8(6) . .
C118 C119 C120 130.4(6) . .
N49 C122 C123 108.8(6) . .
N49 C122 C121 121.7(7) . .
C123 C122 C121 129.5(7) . .
C124 C123 C122 104.2(6) . .
C124 C123 C43 128.8(6) . 14
C122 C123 C43 127.1(7) . 14
N50 C124 C123 110.3(6) . .
N50 C124 C125 120.9(7) . .
C123 C124 C125 128.8(6) . .
N51 C127 C128 109.5(6) . .
N51 C127 C126 120.2(7) . .
C128 C127 C126 130.2(8) . .
C127 C128 C129 104.9(6) . .
C127 C128 C3 125.1(7) . 3_554
C129 C128 C3 129.8(7) . 3_554
N52 C129 C128 110.5(6) . .
N52 C129 C130 120.4(7) . .
C128 C129 C130 129.1(7) . .
N53 C132 C133 109.7(6) . .
N53 C132 C131 121.5(7) . .
C133 C132 C131 128.8(6) . .
C134 C133 C132 104.5(6) . .
C134 C133 C108 124.5(6) . 12_765
C132 C133 C108 130.8(6) . 12_765
N54 C134 C133 109.2(6) . .
N54 C134 C135 121.1(6) . .
C133 C134 C135 129.7(7) . .
N55 C137 C138 109.0(6) . .
N55 C137 C136 121.4(6) . .
C138 C137 C136 129.6(6) . .
C137 C138 C139 105.7(6) . .
C137 C138 C103 127.6(6) . 12_765
C139 C138 C103 126.6(6) . 12_765
N56 C139 C138 108.2(5) . .
N56 C139 C140 121.2(6) . .
C138 C139 C140 130.6(6) . .
N57 C142 C143 109.2(6) . .
N57 C142 C141 121.5(6) . .
C143 C142 C141 129.3(6) . .
C144 C143 C142 104.6(6) . .
C144 C143 C58 129.2(6) . 14
C142 C143 C58 126.2(6) . 14
N58 C144 C143 109.8(6) . .
N58 C144 C145 120.4(6) . .
C143 C144 C145 129.6(6) . .
N59 C147 C148 109.5(6) . .
N59 C147 C146 121.5(6) . .
C148 C147 C146 129.0(6) . .
C149 C148 C147 104.4(6) . .
C149 C148 C18 126.9(6) . 3_554
C147 C148 C18 128.6(6) . 3_554
N60 C149 C148 109.8(6) . .
N60 C149 C150 120.8(6) . .
C148 C149 C150 129.4(6) . .
C152 C151 C156 117.7(15) . .
C152 C151 C157 122.4(19) . .
C156 C151 C157 119.9(18) . .
C153 C152 C151 122.3(16) . .
C152 C153 C154 120.0(15) . .
C152 C153 C158 121.8(16) . .
C154 C153 C158 118.0(15) . .
C153 C154 C155 120.6(14) . .
C154 C155 C156 118.4(15) . .
C154 C155 C159 122.5(17) . .
C156 C155 C159 119.1(17) . .
C155 C156 C151 121.1(16) . .
C161 C160 C165 118.0(10) . .
C161 C160 C166 122.8(11) . .
C165 C160 C166 119.2(11) . .
C160 C161 C162 122.0(11) . .
C163 C162 C161 118.3(10) . .
C163 C162 C167 120.4(11) . .
C161 C162 C167 121.2(11) . .
C162 C163 C164 121.7(11) . .
C165 C164 C163 118.1(11) . .
C165 C164 C168 121.4(11) . .
C163 C164 C168 120.5(12) . .
C164 C165 C160 122.0(10) . .
C170 C169 C174 120.6(13) . .
C170 C169 C175 113.9(17) . .
C174 C169 C175 125.5(16) . .
C171 C170 C169 122.0(16) . .
C170 C171 C172 120.9(16) . .
C170 C171 C176 132(2) . .
C172 C171 C176 106.8(19) . .
C171 C172 C173 122.6(15) . .
C174 C173 C172 114.3(12) . .
C174 C173 C177 111(2) . .
C172 C173 C177 134(2) . .
C169 C174 C173 119.6(13) . .
C183 C178 C179 117.8(9) . .
C183 C178 C184 122.0(10) . .
C179 C178 C184 120.2(10) . .
C178 C179 C180 121.9(9) . .
C181 C180 C179 117.7(9) . .
C181 C180 C185 120.9(10) . .
C179 C180 C185 121.3(10) . .
C180 C181 C182 122.4(10) . .
C181 C182 C183 117.8(9) . .
C181 C182 C186 122.4(10) . .
C183 C182 C186 119.8(9) . .
C178 C183 C182 122.4(9) . .
C192 C187 C188 118.5(9) . .
C192 C187 C193 122.0(10) . .
C188 C187 C193 119.5(10) . .
C189 C188 C187 121.4(9) . .
C190 C189 C188 117.8(9) . .
C190 C189 C194 121.3(10) . .
C188 C189 C194 120.9(10) . .
C189 C190 C191 121.9(9) . .
C192 C191 C190 118.6(10) . .
C192 C191 C195 120.5(11) . .
C190 C191 C195 120.9(11) . .
C187 C192 C191 121.7(9) . .
C201 C196 C197 116.0(11) . .
C201 C196 C202 123.8(12) . .
C197 C196 C202 120.2(13) . .
C198 C197 C196 122.5(12) . .
C199 C198 C197 118.0(11) . .
C199 C198 C203 119.7(13) . .
C197 C198 C203 122.3(14) . .
C198 C199 C200 123.5(13) . .
C201 C200 C199 116.9(14) . .
C201 C200 C204 119.4(16) . .
C199 C200 C204 123.8(16) . .
C200 C201 C196 123.2(12) . .
C206 C205 C210 117.1(11) . .
C206 C205 C211 124.6(12) . .
C210 C205 C211 118.1(11) . .
C205 C206 C207 123.8(10) . .
C208 C207 C206 116.9(9) . .
C208 C207 C212 121.9(10) . .
C206 C207 C212 121.1(10) . .
C207 C208 C209 122.6(10) . .
C208 C209 C210 117.1(9) . .
C208 C209 C213 121.2(10) . .
C210 C209 C213 121.5(9) . .
C205 C210 C209 122.3(10) . .
C215 C214 C219 118.2(12) . .
C215 C214 C220 117.8(13) . .
C219 C214 C220 124.0(13) . .
C214 C215 C216 120.2(12) . .
C217 C216 C215 119.0(10) . .
C217 C216 C221 118.6(12) . .
C215 C216 C221 122.4(11) . .
C218 C217 C216 122.7(11) . .
C217 C218 C219 116.8(12) . .
C217 C218 C222 125.1(13) . .
C219 C218 C222 118.1(13) . .
C218 C219 C214 123.1(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.078(6) .
Ag1 N6 2.079(6) .
Ag1 Ag2 3.3623(9) .
Ag2 N2 2.057(6) .
Ag2 N3 2.061(6) .
Ag2 Ag3 2.9366(8) 13_656
Ag3 N5 2.073(7) .
Ag3 N4 2.082(6) .
Ag3 Ag2 2.9366(8) 13_656
Ag4 N7 2.060(5) .
Ag4 N12 2.065(5) .
Ag4 Ag9 3.1193(7) .
Ag4 Ag5 3.3531(7) .
Ag5 N8 2.071(6) .
Ag5 N9 2.079(6) .
Ag5 Ag8 3.0201(7) .
Ag6 N11 2.069(5) .
Ag6 N10 2.080(5) .
Ag7 N18 2.061(6) .
Ag7 N13 2.064(6) .
Ag7 Ag8 3.3318(8) .
Ag8 N15 2.050(6) .
Ag8 N14 2.055(6) .
Ag9 N17 2.067(6) .
Ag9 N16 2.070(6) .
Ag10 N24 2.057(5) .
Ag10 N19 2.061(5) .
Ag10 Ag13 2.9160(8) .
Ag10 Ag11 3.2763(7) .
Ag11 N21 2.051(5) .
Ag11 N20 2.057(5) .
Ag11 Ag14 3.0510(8) .
Ag12 N22 2.086(5) .
Ag12 N23 2.092(5) .
Ag13 N25 2.056(6) .
Ag13 N30 2.069(6) .
Ag13 Ag14 3.2631(8) .
Ag14 N27 2.058(5) .
Ag14 N26 2.064(5) .
Ag15 N28 2.099(5) .
Ag15 N29 2.100(5) .
Ag16 N31 2.072(6) .
Ag16 N36 2.082(6) .
Ag16 Ag21 3.0939(7) .
Ag16 Ag17 3.3360(8) .
Ag17 N32 2.064(6) .
Ag17 N33 2.067(6) .
Ag17 Ag19 3.0908(7) .
Ag18 N34 2.083(5) .
Ag18 N35 2.089(6) .
Ag19 N37 2.083(6) .
Ag19 N42 2.086(5) .
Ag19 Ag20 3.3692(7) .
Ag20 N38 2.055(6) .
Ag20 N39 2.058(6) .
Ag20 Ag21 3.3452(8) .
Ag21 N41 2.062(5) .
Ag21 N40 2.067(5) .
Ag22 N48 2.067(6) .
Ag22 N43 2.073(5) .
Ag22 Ag23 3.2944(8) .
Ag23 N44 2.042(6) .
Ag23 N45 2.042(6) .
Ag24 N46 2.068(5) .
Ag24 N47 2.075(5) .
Ag24 Ag26 3.3226(8) .
Ag25 N49 2.073(6) .
Ag25 N54 2.081(6) .
Ag25 Ag26 3.2620(9) .
Ag26 N50 2.062(6) .
Ag26 N51 2.078(6) .
Ag27 N52 2.073(6) .
Ag27 N53 2.074(6) .
Ag28 N55 2.079(5) .
Ag28 N60 2.080(5) .
Ag28 Ag29 3.3418(7) .
Ag29 N57 2.071(5) .
Ag29 N56 2.072(5) .
Ag29 Ag30 3.0949(7) 9_674
Ag30 N58 2.071(5) .
Ag30 N59 2.072(5) .
Ag30 Ag29 3.0949(7) 9_674
N1 C2 1.335(9) .
N1 N2 1.363(9) .
N2 C4 1.354(10) .
N3 C7 1.330(9) .
N3 N4 1.363(8) .
N4 C9 1.343(9) .
N5 C12 1.344(10) .
N5 N6 1.368(9) .
N6 C14 1.339(9) .
N7 C17 1.331(8) .
N7 N8 1.385(7) .
N8 C19 1.352(8) .
N9 C22 1.356(8) .
N9 N10 1.368(8) .
N10 C24 1.342(8) .
N11 C27 1.338(8) .
N11 N12 1.371(7) .
N12 C29 1.352(8) .
N13 C32 1.331(9) .
N13 N14 1.380(8) .
N14 C34 1.344(8) .
N15 C37 1.336(9) .
N15 N16 1.384(8) .
N16 C39 1.320(8) .
N17 C42 1.338(8) .
N17 N18 1.372(8) .
N18 C44 1.346(8) .
N19 C47 1.332(8) .
N19 N20 1.369(7) .
N20 C49 1.332(8) .
N21 C52 1.345(8) .
N21 N22 1.367(7) .
N22 C54 1.329(8) .
N23 C57 1.335(8) .
N23 N24 1.358(8) .
N24 C59 1.334(8) .
N25 C62 1.338(9) .
N25 N26 1.371(8) .
N26 C64 1.349(9) .
N27 C67 1.342(8) .
N27 N28 1.368(8) .
N28 C69 1.324(8) .
N29 C72 1.338(8) .
N29 N30 1.359(7) .
N30 C74 1.346(8) .
N31 C77 1.353(8) .
N31 N32 1.368(8) .
N32 C79 1.350(9) .
N33 C82 1.343(9) .
N33 N34 1.378(7) .
N34 C84 1.334(9) .
N35 C87 1.342(8) .
N35 N36 1.355(8) .
N36 C89 1.343(8) .
N37 C92 1.355(9) .
N37 N38 1.369(8) .
N38 C94 1.342(8) .
N39 C97 1.334(8) .
N39 N40 1.358(8) .
N40 C99 1.345(8) .
N41 C102 1.340(8) .
N41 N42 1.363(7) .
N42 C104 1.350(8) .
N43 C107 1.330(9) .
N43 N44 1.374(7) .
N44 C109 1.334(9) .
N45 C112 1.338(8) .
N45 N46 1.373(8) .
N46 C114 1.334(8) .
N47 C117 1.332(8) .
N47 N48 1.375(8) .
N48 C119 1.326(8) .
N49 C122 1.344(9) .
N49 N50 1.364(8) .
N50 C124 1.342(9) .
N51 C127 1.336(9) .
N51 N52 1.392(8) .
N52 C129 1.333(9) .
N53 C132 1.341(8) .
N53 N54 1.372(8) .
N54 C134 1.340(9) .
N55 C137 1.343(8) .
N55 N56 1.375(7) .
N56 C139 1.337(8) .
N57 C142 1.330(8) .
N57 N58 1.362(7) .
N58 C144 1.351(8) .
N59 C147 1.350(8) .
N59 N60 1.375(7) .
N60 C149 1.344(8) .
C1 C2 1.508(11) .
C2 C3 1.393(10) .
C3 C4 1.397(11) .
C3 C128 1.464(10) 4_455
C4 C5 1.488(11) .
C6 C7 1.490(10) .
C7 C8 1.418(10) .
C8 C9 1.405(10) .
C8 C83 1.467(10) 2_665
C9 C10 1.467(11) .
C11 C12 1.497(11) .
C12 C13 1.376(10) .
C13 C14 1.394(10) .
C13 C63 1.480(10) 7_545
C14 C15 1.486(11) .
C16 C17 1.507(9) .
C17 C18 1.383(9) .
C18 C19 1.400(9) .
C18 C148 1.465(9) 4_455
C19 C20 1.498(9) .
C21 C22 1.479(10) .
C22 C23 1.394(10) .
C23 C24 1.375(9) .
C23 C68 1.470(9) 2_665
C24 C25 1.487(10) .
C26 C27 1.486(10) .
C27 C28 1.394(9) .
C28 C29 1.397(9) .
C28 C88 1.484(9) 7_545
C29 C30 1.481(9) .
C31 C32 1.500(10) .
C32 C33 1.376(9) .
C33 C34 1.388(9) .
C33 C38 1.473(9) 7_544
C34 C35 1.483(10) .
C36 C37 1.493(10) .
C37 C38 1.400(10) .
C38 C39 1.396(10) .
C38 C33 1.473(9) 8_454
C39 C40 1.502(10) .
C41 C42 1.489(10) .
C42 C43 1.385(10) .
C43 C44 1.386(9) .
C43 C123 1.463(9) 14_545
C44 C45 1.484(10) .
C46 C47 1.503(9) .
C47 C48 1.403(9) .
C48 C49 1.408(9) .
C48 C53 1.458(8) 8_454
C49 C50 1.485(9) .
C51 C52 1.478(9) .
C52 C53 1.406(9) .
C53 C54 1.398(9) .
C53 C48 1.458(8) 7_544
C54 C55 1.488(9) .
C56 C57 1.502(10) .
C57 C58 1.385(9) .
C58 C59 1.399(9) .
C58 C143 1.472(9) 14_545
C59 C60 1.496(10) .
C61 C62 1.483(10) .
C62 C63 1.391(10) .
C63 C64 1.401(10) .
C63 C13 1.480(10) 8_453
C64 C65 1.491(10) .
C66 C67 1.502(10) .
C67 C68 1.398(9) .
C68 C69 1.394(9) .
C68 C23 1.470(9) 2_664
C69 C70 1.504(10) .
C71 C72 1.463(9) .
C72 C73 1.418(9) .
C73 C74 1.369(9) .
C73 C118 1.482(9) 15_565
C74 C75 1.504(9) .
C76 C77 1.478(10) .
C77 C78 1.396(10) .
C78 C79 1.389(10) .
C78 C93 1.485(9) 15_565
C79 C80 1.501(11) .
C81 C82 1.512(10) .
C82 C83 1.378(10) .
C83 C84 1.401(10) .
C83 C8 1.467(10) 2_664
C84 C85 1.493(10) .
C86 C87 1.477(9) .
C87 C88 1.392(9) .
C88 C89 1.388(9) .
C88 C28 1.484(9) 8_453
C89 C90 1.502(10) .
C91 C92 1.485(10) .
C92 C93 1.396(10) .
C93 C94 1.376(9) .
C93 C78 1.485(9) 12_766
C94 C95 1.506(9) .
C96 C97 1.494(10) .
C97 C98 1.399(10) .
C98 C99 1.386(9) .
C98 C113 1.471(9) 6_564
C99 C100 1.498(10) .
C101 C102 1.495(10) .
C102 C103 1.396(9) .
C103 C104 1.397(9) .
C103 C138 1.484(9) 15_564
C104 C105 1.481(9) .
C106 C107 1.495(9) .
C107 C108 1.396(9) .
C108 C109 1.381(10) .
C108 C133 1.480(9) 15_564
C109 C110 1.487(9) .
C111 C112 1.507(10) .
C112 C113 1.389(10) .
C113 C114 1.392(10) .
C113 C98 1.471(9) 6_564
C114 C115 1.487(10) .
C116 C117 1.514(10) .
C117 C118 1.384(9) .
C118 C119 1.385(9) .
C118 C73 1.482(9) 12_766
C119 C120 1.505(9) .
C121 C122 1.486(11) .
C122 C123 1.411(9) .
C123 C124 1.393(10) .
C123 C43 1.463(9) 14
C124 C125 1.496(10) .
C126 C127 1.492(10) .
C127 C128 1.382(10) .
C128 C129 1.391(10) .
C128 C3 1.464(10) 3_554
C129 C130 1.516(10) .
C131 C132 1.489(10) .
C132 C133 1.405(10) .
C133 C134 1.392(9) .
C133 C108 1.480(9) 12_765
C134 C135 1.485(10) .
C136 C137 1.471(9) .
C137 C138 1.392(9) .
C138 C139 1.404(9) .
C138 C103 1.484(9) 12_765
C139 C140 1.483(9) .
C141 C142 1.501(10) .
C142 C143 1.395(9) .
C143 C144 1.383(9) .
C143 C58 1.472(9) 14
C144 C145 1.493(10) .
C146 C147 1.495(9) .
C147 C148 1.405(9) .
C148 C149 1.398(9) .
C148 C18 1.465(9) 3_554
C149 C150 1.487(9) .
C151 C152 1.373(19) .
C151 C156 1.40(2) .
C151 C157 1.505(19) .
C152 C153 1.353(18) .
C153 C154 1.374(18) .
C153 C158 1.505(18) .
C154 C155 1.385(18) .
C155 C156 1.394(19) .
C155 C159 1.493(19) .
C160 C161 1.368(13) .
C160 C165 1.391(14) .
C160 C166 1.498(14) .
C161 C162 1.377(14) .
C162 C163 1.375(14) .
C162 C167 1.512(13) .
C163 C164 1.385(14) .
C164 C165 1.365(15) .
C164 C168 1.522(15) .
C169 C170 1.343(17) .
C169 C174 1.357(18) .
C169 C175 1.483(18) .
C170 C171 1.289(18) .
C171 C172 1.31(2) .
C171 C176 1.532(19) .
C172 C173 1.42(2) .
C173 C174 1.42(2) .
C173 C177 1.45(2) .
C178 C183 1.378(13) .
C178 C179 1.381(13) .
C178 C184 1.516(13) .
C179 C180 1.401(13) .
C180 C181 1.373(13) .
C180 C185 1.496(13) .
C181 C182 1.382(13) .
C182 C183 1.387(13) .
C182 C186 1.501(13) .
C187 C192 1.371(13) .
C187 C188 1.393(13) .
C187 C193 1.496(12) .
C188 C189 1.385(12) .
C189 C190 1.378(13) .
C189 C194 1.511(13) .
C190 C191 1.385(13) .
C191 C192 1.371(13) .
C191 C195 1.514(14) .
C196 C201 1.396(16) .
C196 C197 1.400(14) .
C196 C202 1.463(15) .
C197 C198 1.372(15) .
C198 C199 1.357(17) .
C198 C203 1.510(14) .
C199 C200 1.380(18) .
C200 C201 1.371(17) .
C200 C204 1.509(18) .
C205 C206 1.357(14) .
C205 C210 1.363(14) .
C205 C211 1.525(15) .
C206 C207 1.381(14) .
C207 C208 1.367(13) .
C207 C212 1.506(13) .
C208 C209 1.372(12) .
C209 C210 1.399(14) .
C209 C213 1.517(13) .
C214 C215 1.364(15) .
C214 C219 1.392(16) .
C214 C220 1.522(16) .
C215 C216 1.388(15) .
C216 C217 1.373(14) .
C216 C221 1.525(14) .
C217 C218 1.364(15) .
C218 C219 1.365(16) .
C218 C222 1.499(16) .
