#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:10:58 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179097 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/59/4305909.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_4305909
loop_
_publ_author_name
'Olga A. Gerasko'
'Ekaterina A. Mainicheva'
'Marina I. Naumova'
'Marco Neumaier'
'Manfred M. Kappes'
'Sergey Lebedkin'
'Dieter Fenske'
'Vladimir P. Fedin'
_publ_contact_author_address
;Nikolaev Institute of Inorganic Chemistry,
SB Russian Academy of Sciences,
Akad. Lavrentiev prospekt 3,
Novosibirsk 90,
630090 Russia
;
_publ_contact_author_email       cluster@che.nsk.su
_publ_contact_author_fax         7(383)3309489
_publ_contact_author_name        'Prof. Vladimir P. Fedin'
_publ_contact_author_phone       7(383)3309490
_publ_section_title
;
Sandwich-Type Tetranuclear Lanthanide Complexes with Cucurbit[6]uril: From
Molecular Compounds to Coordination Polymers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8869
_journal_page_last               8880
_journal_paper_doi               10.1021/ic8008317
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C132 H207 Ag3 N80 O101 Pr4'
_chemical_formula_weight         5418.03
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 111.53(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   33.550(7)
_cell_length_b                   22.231(4)
_cell_length_c                   29.254(6)
_cell_measurement_reflns_used    20421
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.31
_cell_measurement_theta_min      2.15
_cell_volume                     20297(8)
_computing_cell_refinement       'stoe x-area'
_computing_data_collection       'stoe x-area'
_computing_data_reduction        'stoe x-area'
_computing_molecular_graphics    'SHELXTL (Bruker, 2004)'
_computing_publication_material  'SHELXTL (Bruker, 2004)'
_computing_structure_refinement  'SHELXTL (Bruker, 2004)'
_computing_structure_solution    'SHELXTL (Bruker, 2004)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       rotation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_sigmaI/netI    0.0360
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            72754
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         1.40
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.348
_exptl_absorpt_correction_T_max  0.7293
_exptl_absorpt_correction_T_min  0.6284
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.773
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             10976
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.193
_refine_diff_density_min         -0.806
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.394
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2981
_refine_ls_number_reflns         32514
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.394
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0490
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+25.5455P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0617
_refine_ls_wR_factor_ref         0.0653
_reflns_number_gt                25523
_reflns_number_total             32514
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic8008317_si_002_8.cif
_cod_data_source_block           8
_cod_original_cell_volume        20297(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4305909
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pr1 Pr 0.319945(7) 0.638524(10) 0.329094(8) 0.02083(5) Uani 1 1 d . . .
Pr2 Pr 0.277313(7) 0.804973(11) 0.292286(9) 0.02475(6) Uani 1 1 d . . .
Pr3 Pr 0.218619(7) 0.692938(12) 0.348014(8) 0.02390(5) Uani 1 1 d . . .
Pr4 Pr 0.221546(8) 0.670847(11) 0.213057(8) 0.02423(5) Uani 1 1 d . . .
Ag1 Ag 0.574852(16) 0.87357(3) 0.427106(17) 0.06212(14) Uani 1 1 d . . .
Ag2 Ag -0.047120(15) 0.51452(2) 0.196473(15) 0.04976(11) Uani 1 1 d . . .
Ag3 Ag 0.334111(16) 0.33980(2) 0.772465(17) 0.05607(12) Uani 1 1 d . . .
O11 O 0.37459(9) 0.61533(14) 0.29242(10) 0.0292(7) Uani 1 1 d . . .
O12 O 0.56004(10) 0.70801(15) 0.37366(12) 0.0394(9) Uani 1 1 d . . .
O21 O 0.37732(9) 0.60474(13) 0.40724(10) 0.0239(7) Uani 1 1 d . . .
O22 O 0.56804(10) 0.68822(15) 0.49324(11) 0.0353(8) Uani 1 1 d . . .
O31 O 0.34220(10) 0.72750(13) 0.44900(11) 0.0298(7) Uani 1 1 d . . .
O32 O 0.52849(11) 0.82375(15) 0.52347(12) 0.0417(9) Uani 1 1 d . . .
O41 O 0.30587(10) 0.86962(14) 0.36646(11) 0.0335(8) Uani 1 1 d . . .
O42 O 0.49040(10) 0.96888(15) 0.44255(12) 0.0385(8) Uani 1 1 d . . .
O51 O 0.30703(9) 0.88016(14) 0.25122(11) 0.0310(7) Uani 1 1 d . . .
O52 O 0.48983(10) 0.99115(15) 0.32640(12) 0.0382(8) Uani 1 1 d . . .
O61 O 0.33866(10) 0.75703(15) 0.21043(11) 0.0340(8) Uani 1 1 d . . .
O62 O 0.52458(10) 0.85369(15) 0.29409(11) 0.0330(8) Uani 1 1 d . . .
O71 O 0.15809(12) 0.73005(19) 0.37142(13) 0.0536(11) Uani 1 1 d . . .
O72 O -0.02647(12) 0.63415(16) 0.30745(11) 0.0414(9) Uani 1 1 d . . .
O81 O 0.19862(11) 0.59386(16) 0.37361(12) 0.0454(10) Uani 1 1 d . . .
O82 O 0.01512(11) 0.48411(16) 0.30398(11) 0.0390(8) Uani 1 1 d . . .
O91 O 0.21955(11) 0.51441(14) 0.26372(14) 0.0466(10) Uani 1 1 d . . .
O92 O 0.03365(12) 0.40854(16) 0.19443(11) 0.0408(9) Uani 1 1 d . . .
O101 O 0.19400(12) 0.58287(18) 0.15821(13) 0.0521(11) Uani 1 1 d . . .
O102 O 0.01147(11) 0.47439(15) 0.07888(11) 0.0353(8) Uani 1 1 d . . .
O111 O 0.15699(11) 0.72489(16) 0.15471(11) 0.0402(9) Uani 1 1 d . . .
O112 O -0.02448(12) 0.61700(16) 0.09104(11) 0.0412(9) Uani 1 1 d . . .
O121 O 0.13834(10) 0.79915(16) 0.26668(14) 0.0481(10) Uani 1 1 d . . .
O122 O -0.04599(11) 0.69819(16) 0.19942(10) 0.0375(8) Uani 1 1 d . . .
O131 O 0.31970(12) 0.38375(15) 0.84690(13) 0.0439(9) Uani 1 1 d . . .
O132 O 0.20738(12) 0.17005(17) 0.83794(16) 0.0636(13) Uani 1 1 d . . .
O141 O 0.40118(10) 0.31130(14) 0.84216(11) 0.0369(8) Uani 1 1 d . . .
O142 O 0.28781(10) 0.09106(15) 0.80462(11) 0.0356(8) Uani 1 1 d . . .
O151 O 0.38232(11) 0.30135(16) 0.72899(12) 0.0398(8) Uani 1 1 d . . .
O152 O 0.29106(12) 0.06589(17) 0.68809(13) 0.0503(10) Uani 1 1 d . . .
O161 O 0.29743(12) 0.36955(18) 0.62685(13) 0.0473(9) Uani 1 1 d . . .
O162 O 0.21159(12) 0.12459(16) 0.59621(11) 0.0426(9) Uani 1 1 d . . .
O171 O 0.21578(14) 0.44838(17) 0.63310(14) 0.0560(11) Uani 1 1 d . . .
O172 O 0.14357(11) 0.20879(15) 0.63848(11) 0.0376(8) Uani 1 1 d . . .
O181 O 0.22772(13) 0.45052(17) 0.74551(14) 0.0526(10) Uani 1 1 d . . .
O182 O 0.12343(11) 0.22752(16) 0.74954(14) 0.0454(9) Uani 1 1 d . . .
N11 N 0.43017(12) 0.64417(17) 0.26849(13) 0.0277(9) Uani 1 1 d . . .
N12 N 0.50233(12) 0.68543(18) 0.30267(13) 0.0317(9) Uani 1 1 d . . .
N13 N 0.44415(12) 0.58672(18) 0.33387(13) 0.0290(9) Uani 1 1 d . . .
N14 N 0.51791(12) 0.62460(18) 0.36685(13) 0.0334(10) Uani 1 1 d . . .
N21 N 0.44639(11) 0.58118(16) 0.41720(13) 0.0262(9) Uani 1 1 d . . .
N22 N 0.52199(12) 0.61289(17) 0.45079(13) 0.0307(9) Uani 1 1 d . . .
N23 N 0.43480(12) 0.62704(17) 0.47831(12) 0.0272(9) Uani 1 1 d . . .
N24 N 0.51047(12) 0.65865(17) 0.51169(13) 0.0294(9) Uani 1 1 d . . .
N31 N 0.40911(12) 0.71465(16) 0.50783(13) 0.0288(9) Uani 1 1 d . . .
N32 N 0.48255(13) 0.75176(17) 0.53265(14) 0.0348(10) Uani 1 1 d . . .
N33 N 0.38587(11) 0.80789(18) 0.48638(13) 0.0315(9) Uani 1 1 d . . .
N34 N 0.45885(12) 0.84526(17) 0.51586(14) 0.0343(10) Uani 1 1 d . . .
N41 N 0.36212(13) 0.89709(17) 0.43582(14) 0.0327(10) Uani 1 1 d . . .
N42 N 0.43544(13) 0.93553(17) 0.46748(14) 0.0332(10) Uani 1 1 d . . .
N43 N 0.34607(13) 0.95503(17) 0.36975(14) 0.0338(10) Uani 1 1 d . . .
N44 N 0.41923(12) 0.99252(17) 0.39993(13) 0.0300(9) Uani 1 1 d . . .
N51 N 0.34763(12) 0.96280(17) 0.28877(14) 0.0322(9) Uani 1 1 d . . .
N52 N 0.41906(13) 1.00849(18) 0.31761(14) 0.0360(10) Uani 1 1 d . . .
N53 N 0.35928(12) 0.91976(17) 0.22649(13) 0.0297(9) Uani 1 1 d . . .
N54 N 0.43272(13) 0.95928(18) 0.25887(15) 0.0361(10) Uani 1 1 d . . .
N61 N 0.38431(12) 0.82860(18) 0.20009(13) 0.0322(9) Uani 1 1 d . . .
N62 N 0.45759(12) 0.86734(18) 0.23417(14) 0.0324(9) Uani 1 1 d . . .
N63 N 0.40855(12) 0.73700(17) 0.22109(13) 0.0292(9) Uani 1 1 d . . .
N64 N 0.48248(12) 0.77460(18) 0.25156(13) 0.0313(9) Uani 1 1 d . . .
N71 N 0.08840(15) 0.7544(2) 0.35320(14) 0.0416(11) Uani 1 1 d . . .
N72 N 0.01358(16) 0.7233(2) 0.32698(15) 0.0462(12) Uani 1 1 d . . .
N73 N 0.11451(15) 0.6723(2) 0.40009(15) 0.0485(12) Uani 1 1 d . . .
N74 N 0.04157(16) 0.6324(2) 0.36963(15) 0.0499(12) Uani 1 1 d . . .
N81 N 0.13965(16) 0.5767(2) 0.39645(15) 0.0477(12) Uani 1 1 d . . .
N82 N 0.06710(16) 0.5376(2) 0.36667(15) 0.0500(12) Uani 1 1 d . . .
N83 N 0.15957(15) 0.5065(2) 0.35408(14) 0.0442(11) Uani 1 1 d . . .
N84 N 0.08698(17) 0.4635(2) 0.32666(16) 0.0512(13) Uani 1 1 d . . .
N91 N 0.17061(17) 0.4595(2) 0.28574(15) 0.0473(12) Uani 1 1 d . . .
N92 N 0.09904(15) 0.4158(2) 0.25877(14) 0.0417(11) Uani 1 1 d . . .
N93 N 0.17320(15) 0.4451(2) 0.21269(14) 0.0432(11) Uani 1 1 d . . .
N94 N 0.09790(15) 0.4089(2) 0.18400(14) 0.0401(11) Uani 1 1 d . . .
N101 N 0.15592(16) 0.4951(2) 0.13447(15) 0.0485(12) Uani 1 1 d . . .
N102 N 0.08312(14) 0.4529(2) 0.10365(14) 0.0413(11) Uani 1 1 d . . .
N103 N 0.13119(17) 0.5764(2) 0.09141(16) 0.0539(14) Uani 1 1 d . . .
N104 N 0.05789(16) 0.5327(2) 0.05919(16) 0.0510(12) Uani 1 1 d . . .
N111 N 0.10454(16) 0.6797(2) 0.09014(15) 0.0479(12) Uani 1 1 d . . .
N112 N 0.03219(16) 0.6351(2) 0.06621(15) 0.0489(12) Uani 1 1 d . . .
N113 N 0.08569(15) 0.7486(2) 0.13336(14) 0.0426(11) Uani 1 1 d . . .
N114 N 0.01347(16) 0.7057(2) 0.10836(15) 0.0510(13) Uani 1 1 d . . .
N121 N 0.07256(17) 0.7964(2) 0.20287(16) 0.0500(13) Uani 1 1 d . . .
N122 N -0.00121(16) 0.7546(2) 0.17625(15) 0.0455(12) Uani 1 1 d . . .
N123 N 0.07340(17) 0.8083(2) 0.27641(16) 0.0518(13) Uani 1 1 d . . .
N124 N 0.00104(15) 0.7664(2) 0.25097(14) 0.0424(11) Uani 1 1 d . . .
N131 N 0.25800(13) 0.35256(18) 0.85748(16) 0.0408(11) Uani 1 1 d . . .
N132 N 0.21279(14) 0.2688(2) 0.86215(16) 0.0463(12) Uani 1 1 d . . .
N133 N 0.31824(14) 0.30282(19) 0.89538(14) 0.0401(10) Uani 1 1 d . . .
N134 N 0.27219(13) 0.21492(18) 0.88086(15) 0.0389(11) Uani 1 1 d . . .
N141 N 0.37502(13) 0.24336(18) 0.88323(14) 0.0363(10) Uani 1 1 d . . .
N142 N 0.32604(13) 0.15773(17) 0.86524(14) 0.0339(10) Uani 1 1 d . . .
N143 N 0.40357(12) 0.20844(17) 0.83237(13) 0.0320(9) Uani 1 1 d . . .
N144 N 0.35737(13) 0.12065(19) 0.81535(14) 0.0363(10) Uani 1 1 d . . .
N151 N 0.39823(13) 0.20141(19) 0.74763(15) 0.0365(10) Uani 1 1 d . . .
N152 N 0.35592(14) 0.1094(2) 0.73228(15) 0.0399(11) Uani 1 1 d . . .
N153 N 0.36039(15) 0.22630(19) 0.67083(15) 0.0396(11) Uani 1 1 d . . .
N154 N 0.32810(15) 0.1270(2) 0.65299(16) 0.0458(12) Uani 1 1 d . . .
N161 N 0.30316(16) 0.2723(2) 0.60316(16) 0.0488(12) Uani 1 1 d . . .
N162 N 0.26868(16) 0.1732(2) 0.58853(16) 0.0506(13) Uani 1 1 d . . .
N163 N 0.24054(16) 0.3190(2) 0.57040(15) 0.0460(12) Uani 1 1 d . . .
N164 N 0.20637(15) 0.2211(2) 0.56501(15) 0.0458(12) Uani 1 1 d . . .
N171 N 0.18152(15) 0.3728(2) 0.58020(16) 0.0451(11) Uani 1 1 d . . .
N172 N 0.14974(16) 0.2729(2) 0.58148(16) 0.0460(12) Uani 1 1 d . . .
N173 N 0.15117(16) 0.4077(2) 0.63007(17) 0.0516(13) Uani 1 1 d . . .
N174 N 0.12199(15) 0.3088(2) 0.63213(16) 0.0481(11) Uani 1 1 d . . .
N181 N 0.15790(15) 0.4177(2) 0.71585(17) 0.0490(12) Uani 1 1 d . . .
N182 N 0.12305(15) 0.3196(2) 0.71552(17) 0.0448(12) Uani 1 1 d . . .
N183 N 0.19772(14) 0.3960(2) 0.79232(17) 0.0440(11) Uani 1 1 d . . .
N184 N 0.15303(15) 0.3114(2) 0.79543(17) 0.0428(11) Uani 1 1 d . . .
C11 C 0.41279(14) 0.6160(2) 0.29804(15) 0.0264(10) Uani 1 1 d . . .
C12 C 0.53080(14) 0.6756(2) 0.35083(17) 0.0314(11) Uani 1 1 d . . .
C13 C 0.47586(14) 0.6336(2) 0.28338(16) 0.0298(10) Uani 1 1 d . . .
H13 H 0.4830 0.6140 0.2566 0.036 Uiso 1 1 calc R . .
C14 C 0.48531(14) 0.5912(2) 0.32822(16) 0.0273(10) Uani 1 1 d . . .
H14 H 0.4960 0.5511 0.3224 0.033 Uiso 1 1 calc R . .
C15 C 0.43677(15) 0.5499(2) 0.37048(15) 0.0282(10) Uani 1 1 d . . .
H15A H 0.4548 0.5134 0.3760 0.034 Uiso 1 1 calc R . .
H15B H 0.4064 0.5370 0.3581 0.034 Uiso 1 1 calc R . .
C16 C 0.54163(15) 0.5988(2) 0.41547(16) 0.0328(11) Uani 1 1 d . . .
H16A H 0.5430 0.5546 0.4124 0.039 Uiso 1 1 calc R . .
H16B H 0.5713 0.6144 0.4277 0.039 Uiso 1 1 calc R . .
C21 C 0.41586(15) 0.60492(19) 0.43134(15) 0.0252(10) Uani 1 1 d . . .
C22 C 0.53605(14) 0.65637(19) 0.48599(17) 0.0297(11) Uani 1 1 d . . .
C23 C 0.48833(14) 0.5776(2) 0.45727(16) 0.0294(11) Uani 1 1 d . . .
H23 H 0.4974 0.5349 0.4657 0.035 Uiso 1 1 calc R . .
C24 C 0.47981(14) 0.6092(2) 0.49971(16) 0.0287(10) Uani 1 1 d . . .
H24 H 0.4852 0.5816 0.5284 0.034 Uiso 1 1 calc R . .
C25 C 0.41034(15) 0.6493(2) 0.50570(15) 0.0275(10) Uani 1 1 d . . .
H25A H 0.4227 0.6333 0.5396 0.033 Uiso 1 1 calc R . .
H25B H 0.3807 0.6340 0.4907 0.033 Uiso 1 1 calc R . .
C26 C 0.51409(15) 0.7042(2) 0.54893(16) 0.0353(12) Uani 1 1 d . . .
H26A H 0.5113 0.6842 0.5779 0.042 Uiso 1 1 calc R . .
H26B H 0.5430 0.7223 0.5596 0.042 Uiso 1 1 calc R . .
C31 C 0.37606(14) 0.7478(2) 0.47796(15) 0.0256(10) Uani 1 1 d . . .
C32 C 0.49386(14) 0.8088(2) 0.52333(16) 0.0333(11) Uani 1 1 d . . .
C33 C 0.44337(15) 0.7514(2) 0.54093(16) 0.0293(11) Uani 1 1 d . . .
H33 H 0.4484 0.7418 0.5760 0.035 Uiso 1 1 calc R . .
C34 C 0.42589(15) 0.8165(2) 0.52796(16) 0.0337(11) Uani 1 1 d . . .
H34 H 0.4212 0.8366 0.5562 0.040 Uiso 1 1 calc R . .
C35 C 0.35436(15) 0.8533(2) 0.46920(18) 0.0360(11) Uani 1 1 d . . .
H35A H 0.3526 0.8752 0.4979 0.043 Uiso 1 1 calc R . .
H35B H 0.3262 0.8340 0.4520 0.043 Uiso 1 1 calc R . .
C36 C 0.46236(16) 0.9100(2) 0.51476(17) 0.0378(13) Uani 1 1 d . . .
H36A H 0.4926 0.9210 0.5216 0.045 Uiso 1 1 calc R . .
H36B H 0.4540 0.9276 0.5410 0.045 Uiso 1 1 calc R . .
C41 C 0.33542(14) 0.90417(19) 0.38857(17) 0.0277(10) Uani 1 1 d . . .
C42 C 0.45322(15) 0.9661(2) 0.43686(16) 0.0307(11) Uani 1 1 d . . .
C43 C 0.39089(15) 0.9486(2) 0.45374(18) 0.0332(11) Uani 1 1 d . . .
H43 H 0.3851 0.9700 0.4807 0.040 Uiso 1 1 calc R . .
C44 C 0.37934(15) 0.9886(2) 0.40737(17) 0.0318(11) Uani 1 1 d . . .
H44 H 0.3690 1.0291 0.4128 0.038 Uiso 1 1 calc R . .
C45 C 0.32494(15) 0.9758(2) 0.32029(17) 0.0339(11) Uani 1 1 d . . .
H45A H 0.2962 0.9570 0.3065 0.041 Uiso 1 1 calc R . .
H45B H 0.3208 1.0198 0.3208 0.041 Uiso 1 1 calc R . .
C46 C 0.42676(17) 1.0340(2) 0.36531(19) 0.0415(13) Uani 1 1 d . . .
H46A H 0.4080 1.0695 0.3614 0.050 Uiso 1 1 calc R . .
H46B H 0.4568 1.0481 0.3794 0.050 Uiso 1 1 calc R . .
C51 C 0.33619(14) 0.9178(2) 0.25575(17) 0.0301(11) Uani 1 1 d . . .
C52 C 0.45125(15) 0.9875(2) 0.30355(18) 0.0318(11) Uani 1 1 d . . .
C53 C 0.37756(14) 1.0032(2) 0.27903(18) 0.0333(11) Uani 1 1 d . . .
H53 H 0.3644 1.0437 0.2686 0.040 Uiso 1 1 calc R . .
C54 C 0.38678(14) 0.9716(2) 0.23666(18) 0.0336(11) Uani 1 1 d . . .
H54 H 0.3798 0.9983 0.2072 0.040 Uiso 1 1 calc R . .
C55 C 0.35305(15) 0.8780(2) 0.18677(15) 0.0292(10) Uani 1 1 d . . .
H55A H 0.3552 0.9000 0.1584 0.035 Uiso 1 1 calc R . .
H55B H 0.3238 0.8609 0.1765 0.035 Uiso 1 1 calc R . .
C56 C 0.45758(16) 0.9328(2) 0.23288(18) 0.0359(11) Uani 1 1 d . . .
H56A H 0.4875 0.9474 0.2476 0.043 Uiso 1 1 calc R . .
H56B H 0.4458 0.9463 0.1982 0.043 Uiso 1 1 calc R . .
C61 C 0.37329(15) 0.7717(2) 0.21042(15) 0.0279(10) Uani 1 1 d . . .
C62 C 0.49210(15) 0.8340(2) 0.26353(16) 0.0305(10) Uani 1 1 d . . .
C63 C 0.42568(15) 0.8309(2) 0.19647(17) 0.0321(11) Uani 1 1 d . . .
H63 H 0.4237 0.8422 0.1626 0.039 Uiso 1 1 calc R . .
C64 C 0.44193(15) 0.7648(2) 0.20956(17) 0.0325(11) Uani 1 1 d . . .
H64 H 0.4467 0.7444 0.1816 0.039 Uiso 1 1 calc R . .
C65 C 0.40457(15) 0.6710(2) 0.22197(16) 0.0322(11) Uani 1 1 d . . .
H65A H 0.3741 0.6606 0.2143 0.039 Uiso 1 1 calc R . .
H65B H 0.4132 0.6536 0.1959 0.039 Uiso 1 1 calc R . .
C66 C 0.51322(14) 0.7273(2) 0.27120(17) 0.0316(11) Uani 1 1 d . . .
H66A H 0.5414 0.7456 0.2901 0.038 Uiso 1 1 calc R . .
H66B H 0.5163 0.7047 0.2435 0.038 Uiso 1 1 calc R . .
C71 C 0.12315(16) 0.7198(2) 0.37411(17) 0.0360(12) Uani 1 1 d . . .
C72 C 0.00647(18) 0.6634(3) 0.33253(18) 0.0431(13) Uani 1 1 d . . .
C73 C 0.05415(17) 0.7339(2) 0.37027(17) 0.0385(12) Uani 1 1 d . . .
H73 H 0.0493 0.7646 0.3927 0.046 Uiso 1 1 calc R . .
C74 C 0.07107(19) 0.6750(3) 0.3985(2) 0.0514(15) Uani 1 1 d . . .
H74 H 0.0705 0.6769 0.4324 0.062 Uiso 1 1 calc R . .
C75 C 0.14511(16) 0.6258(2) 0.42440(16) 0.0351(12) Uani 1 1 d . . .
H75A H 0.1745 0.6414 0.4323 0.042 Uiso 1 1 calc R . .
H75B H 0.1419 0.6149 0.4557 0.042 Uiso 1 1 calc R . .
C76 C 0.0401(2) 0.5736(3) 0.38343(19) 0.0499(15) Uani 1 1 d . . .
H76A H 0.0103 0.5585 0.3692 0.060 Uiso 1 1 calc R . .
H76B H 0.0497 0.5710 0.4197 0.060 Uiso 1 1 calc R . .
C81 C 0.16831(18) 0.5618(3) 0.37337(18) 0.0414(13) Uani 1 1 d . . .
C82 C 0.05478(19) 0.4919(3) 0.33038(18) 0.0424(13) Uani 1 1 d . . .
C83 C 0.11283(18) 0.5282(3) 0.39691(18) 0.0418(13) Uani 1 1 d . . .
H83 H 0.1169 0.5159 0.4312 0.050 Uiso 1 1 calc R . .
C84 C 0.12549(19) 0.4787(3) 0.36978(18) 0.0454(14) Uani 1 1 d . . .
H84 H 0.1367 0.4428 0.3913 0.054 Uiso 1 1 calc R . .
C85 C 0.18853(19) 0.4722(3) 0.33702(17) 0.0431(14) Uani 1 1 d . . .
H85A H 0.2154 0.4951 0.3442 0.052 Uiso 1 1 calc R . .
H85B H 0.1958 0.4338 0.3554 0.052 Uiso 1 1 calc R . .
C86 C 0.08191(18) 0.4099(2) 0.29812(16) 0.0382(12) Uani 1 1 d . . .
H86A H 0.0511 0.3996 0.2834 0.046 Uiso 1 1 calc R . .
H86B H 0.0968 0.3763 0.3200 0.046 Uiso 1 1 calc R . .
C91 C 0.19002(17) 0.4766(2) 0.25594(17) 0.0359(12) Uani 1 1 d . . .
C92 C 0.07270(18) 0.4114(3) 0.21123(18) 0.0398(13) Uani 1 1 d . . .
C93 C 0.14383(17) 0.4066(2) 0.26665(17) 0.0375(12) Uani 1 1 d . . .
H93 H 0.1556 0.3703 0.2873 0.045 Uiso 1 1 calc R . .
C94 C 0.14388(19) 0.3994(3) 0.21666(18) 0.0457(14) Uani 1 1 d . . .
H94 H 0.1539 0.3583 0.2120 0.055 Uiso 1 1 calc R . .
C95 C 0.18542(19) 0.4551(2) 0.17160(17) 0.0434(13) Uani 1 1 d . . .
H95A H 0.1867 0.4159 0.1561 0.052 Uiso 1 1 calc R . .
H95B H 0.2145 0.4728 0.1832 0.052 Uiso 1 1 calc R . .
C96 C 0.0825(2) 0.3983(3) 0.13237(19) 0.0531(16) Uani 1 1 d . . .
H96A H 0.0528 0.3829 0.1216 0.064 Uiso 1 1 calc R . .
H96B H 0.1004 0.3669 0.1253 0.064 Uiso 1 1 calc R . .
C101 C 0.1619(2) 0.5536(3) 0.1297(2) 0.0516(16) Uani 1 1 d . . .
C102 C 0.04688(19) 0.4865(3) 0.08031(18) 0.0444(14) Uani 1 1 d . . .
C103 C 0.1186(2) 0.4718(3) 0.0934(2) 0.0587(17) Uani 1 1 d . . .
H103 H 0.1274 0.4405 0.0744 0.070 Uiso 1 1 calc R . .
C104 C 0.10270(17) 0.5300(2) 0.06226(17) 0.0398(13) Uani 1 1 d . . .
H104 H 0.1045 0.5262 0.0290 0.048 Uiso 1 1 calc R . .
C105 C 0.13195(18) 0.6378(2) 0.07543(16) 0.0384(12) Uani 1 1 d . . .
H10A H 0.1226 0.6383 0.0392 0.046 Uiso 1 1 calc R . .
H10B H 0.1618 0.6526 0.0890 0.046 Uiso 1 1 calc R . .
C106 C 0.02833(17) 0.5823(2) 0.03490(17) 0.0405(13) Uani 1 1 d . . .
H10C H 0.0338 0.5947 0.0053 0.049 Uiso 1 1 calc R . .
H10D H -0.0015 0.5672 0.0240 0.049 Uiso 1 1 calc R . .
C111 C 0.11872(18) 0.7185(2) 0.12926(17) 0.0395(13) Uani 1 1 d . . .
C112 C 0.00390(17) 0.6488(2) 0.08797(17) 0.0385(12) Uani 1 1 d . . .
C113 C 0.05847(19) 0.6868(3) 0.06306(18) 0.0461(14) Uani 1 1 d . . .
H113 H 0.0519 0.6997 0.0283 0.055 Uiso 1 1 calc R . .
C114 C 0.04508(18) 0.7347(2) 0.09299(17) 0.0403(13) Uani 1 1 d . . .
H114 H 0.0330 0.7712 0.0727 0.048 Uiso 1 1 calc R . .
C115 C 0.08989(17) 0.8019(2) 0.16343(16) 0.0382(12) Uani 1 1 d . . .
H11A H 0.0752 0.8357 0.1417 0.046 Uiso 1 1 calc R . .
H11B H 0.1206 0.8124 0.1785 0.046 Uiso 1 1 calc R . .
C116 C -0.01703(18) 0.7384(2) 0.12478(16) 0.0403(13) Uani 1 1 d . . .
H11C H -0.0258 0.7757 0.1051 0.048 Uiso 1 1 calc R . .
H11D H -0.0430 0.7133 0.1177 0.048 Uiso 1 1 calc R . .
C121 C 0.09739(17) 0.8010(2) 0.25132(16) 0.0349(12) Uani 1 1 d . . .
C122 C -0.0178(2) 0.7335(3) 0.20963(19) 0.0450(14) Uani 1 1 d . . .
C123 C 0.02870(19) 0.8071(3) 0.19562(18) 0.0479(14) Uani 1 1 d . . .
H123 H 0.0176 0.8444 0.1759 0.058 Uiso 1 1 calc R . .
C124 C 0.02839(19) 0.8127(3) 0.24827(18) 0.0452(13) Uani 1 1 d . . .
H124 H 0.0170 0.8528 0.2532 0.054 Uiso 1 1 calc R . .
C125 C 0.0897(2) 0.8124(3) 0.32832(17) 0.0472(14) Uani 1 1 d . . .
H12A H 0.0729 0.8427 0.3383 0.057 Uiso 1 1 calc R . .
H12B H 0.1197 0.8267 0.3396 0.057 Uiso 1 1 calc R . .
C126 C -0.0123(2) 0.7578(3) 0.29262(18) 0.0466(14) Uani 1 1 d . . .
H12C H -0.0142 0.7976 0.3070 0.056 Uiso 1 1 calc R . .
H12D H -0.0414 0.7398 0.2807 0.056 Uiso 1 1 calc R . .
C131 C 0.30049(16) 0.3496(2) 0.86529(17) 0.0352(12) Uani 1 1 d . . .
C132 C 0.22821(16) 0.2140(2) 0.85833(18) 0.0384(13) Uani 1 1 d . . .
C133 C 0.24667(16) 0.3097(2) 0.88919(18) 0.0399(12) Uani 1 1 d . . .
H133 H 0.2407 0.3304 0.9163 0.048 Uiso 1 1 calc R . .
C134 C 0.28677(17) 0.2697(2) 0.90859(17) 0.0380(12) Uani 1 1 d . . .
H134 H 0.2964 0.2628 0.9448 0.046 Uiso 1 1 calc R . .
C135 C 0.36323(16) 0.2869(2) 0.91319(18) 0.0387(12) Uani 1 1 d . . .
H13A H 0.3713 0.2705 0.9468 0.046 Uiso 1 1 calc R . .
H13B H 0.3802 0.3240 0.9154 0.046 Uiso 1 1 calc R . .
C136 C 0.29735(17) 0.1600(2) 0.89011(17) 0.0345(12) Uani 1 1 d . . .
H13C H 0.3137 0.1564 0.9259 0.041 Uiso 1 1 calc R . .
H13D H 0.2777 0.1251 0.8799 0.041 Uiso 1 1 calc R . .
C141 C 0.39358(15) 0.2603(2) 0.85124(16) 0.0325(11) Uani 1 1 d . . .
C142 C 0.32103(16) 0.1209(2) 0.82575(17) 0.0348(12) Uani 1 1 d . . .
C143 C 0.36976(16) 0.1788(2) 0.88665(17) 0.0359(12) Uani 1 1 d . . .
H143 H 0.3843 0.1638 0.9210 0.043 Uiso 1 1 calc R . .
C144 C 0.39212(15) 0.1541(2) 0.85122(17) 0.0355(12) Uani 1 1 d . . .
H144 H 0.4175 0.1282 0.8688 0.043 Uiso 1 1 calc R . .
C145 C 0.42628(16) 0.2097(2) 0.79841(17) 0.0376(12) Uani 1 1 d . . .
H14A H 0.4413 0.2487 0.8017 0.045 Uiso 1 1 calc R . .
H14B H 0.4482 0.1775 0.8076 0.045 Uiso 1 1 calc R . .
C146 C 0.36284(18) 0.0798(2) 0.77884(18) 0.0402(13) Uani 1 1 d . . .
H14C H 0.3922 0.0630 0.7919 0.048 Uiso 1 1 calc R . .
H14D H 0.3424 0.0460 0.7733 0.048 Uiso 1 1 calc R . .
C151 C 0.38051(17) 0.2476(2) 0.71708(19) 0.0374(12) Uani 1 1 d . . .
C152 C 0.32221(18) 0.0982(2) 0.6910(2) 0.0420(13) Uani 1 1 d . . .
C153 C 0.38867(16) 0.1443(2) 0.72335(19) 0.0384(12) Uani 1 1 d . . .
H153 H 0.4152 0.1201 0.7288 0.046 Uiso 1 1 calc R . .
C154 C 0.36624(18) 0.1623(2) 0.66882(18) 0.0410(13) Uani 1 1 d . . .
H154 H 0.3845 0.1525 0.6495 0.049 Uiso 1 1 calc R . .
C155 C 0.34789(18) 0.2665(2) 0.62804(18) 0.0438(13) Uani 1 1 d . . .
H15C H 0.3601 0.3068 0.6390 0.053 Uiso 1 1 calc R . .
H15D H 0.3606 0.2512 0.6046 0.053 Uiso 1 1 calc R . .
C156 C 0.29733(18) 0.1243(3) 0.60183(19) 0.0471(14) Uani 1 1 d . . .
H15E H 0.3134 0.1230 0.5795 0.057 Uiso 1 1 calc R . .
H15F H 0.2807 0.0865 0.5972 0.057 Uiso 1 1 calc R . .
C161 C 0.28244(19) 0.3255(3) 0.60304(18) 0.0452(14) Uani 1 1 d . . .
C162 C 0.2272(2) 0.1686(3) 0.5847(2) 0.0490(14) Uani 1 1 d . . .
C163 C 0.27626(18) 0.2288(2) 0.56671(19) 0.0433(13) Uani 1 1 d . . .
H163 H 0.2874 0.2211 0.5398 0.052 Uiso 1 1 calc R . .
C164 C 0.2333(2) 0.2587(3) 0.54797(18) 0.0492(15) Uani 1 1 d . . .
H164 H 0.2217 0.2613 0.5113 0.059 Uiso 1 1 calc R . .
C165 C 0.2102(2) 0.3681(3) 0.55442(18) 0.0500(15) Uani 1 1 d . . .
H16C H 0.2263 0.4063 0.5584 0.060 Uiso 1 1 calc R . .
H16D H 0.1931 0.3630 0.5190 0.060 Uiso 1 1 calc R . .
C166 C 0.16123(17) 0.2283(3) 0.55238(19) 0.0442(13) Uani 1 1 d . . .
H16E H 0.1489 0.1890 0.5564 0.053 Uiso 1 1 calc R . .
H16F H 0.1482 0.2397 0.5173 0.053 Uiso 1 1 calc R . .
C171 C 0.1853(2) 0.4117(3) 0.6165(2) 0.0502(15) Uani 1 1 d . . .
C172 C 0.13900(18) 0.2580(2) 0.6189(2) 0.0408(13) Uani 1 1 d . . .
C173 C 0.14126(19) 0.3368(2) 0.5687(2) 0.0525(17) Uani 1 1 d . . .
H173 H 0.1215 0.3422 0.5338 0.063 Uiso 1 1 calc R . .
C174 C 0.12234(17) 0.3609(3) 0.6038(2) 0.0493(15) Uani 1 1 d . . .
H174 H 0.0927 0.3768 0.5863 0.059 Uiso 1 1 calc R . .
C175 C 0.14535(19) 0.4445(2) 0.6676(2) 0.0512(16) Uani 1 1 d . . .
H17A H 0.1147 0.4557 0.6567 0.061 Uiso 1 1 calc R . .
H17B H 0.1619 0.4821 0.6704 0.061 Uiso 1 1 calc R . .
C176 C 0.09905(17) 0.3038(3) 0.6654(2) 0.0471(14) Uani 1 1 d . . .
H17C H 0.0734 0.3299 0.6531 0.057 Uiso 1 1 calc R . .
H17D H 0.0890 0.2618 0.6646 0.057 Uiso 1 1 calc R . .
C181 C 0.19842(18) 0.4242(2) 0.7500(2) 0.0447(14) Uani 1 1 d . . .
C182 C 0.13255(17) 0.2809(3) 0.7534(2) 0.0426(13) Uani 1 1 d . . .
C183 C 0.13012(18) 0.3819(2) 0.7339(2) 0.0464(14) Uani 1 1 d . . .
H183 H 0.1023 0.4029 0.7279 0.056 Uiso 1 1 calc R . .
C184 C 0.15535(18) 0.3749(2) 0.7882(2) 0.0440(14) Uani 1 1 d . . .
H184 H 0.1431 0.3990 0.8088 0.053 Uiso 1 1 calc R . .
C185 C 0.23227(18) 0.4070(2) 0.8378(2) 0.0461(15) Uani 1 1 d . . .
H18A H 0.2206 0.4222 0.8621 0.055 Uiso 1 1 calc R . .
H18B H 0.2510 0.4387 0.8328 0.055 Uiso 1 1 calc R . .
C186 C 0.16817(18) 0.2831(3) 0.8431(2) 0.0498(15) Uani 1 1 d . . .
H18C H 0.1621 0.3102 0.8666 0.060 Uiso 1 1 calc R . .
H18D H 0.1517 0.2456 0.8410 0.060 Uiso 1 1 calc R . .
O1M O 0.64607(15) 0.8369(2) 0.47017(15) 0.0724(13) Uani 1 1 d . . .
O2M O -0.05136(13) 0.43154(17) 0.13489(12) 0.0503(10) Uani 1 1 d . . .
O3M O 0.29397(12) 0.25372(17) 0.77364(12) 0.0458(9) Uani 1 1 d . . .
O4M O 0.26934(10) 0.38269(16) 0.70222(11) 0.0390(9) Uani 1 1 d . . .
O11M O 0.29298(9) 0.70798(13) 0.26259(10) 0.0258(7) Uani 1 1 d . . .
H11M H 0.3121 0.7119 0.2433 0.031 Uiso 1 1 calc R . .
O12M O 0.28811(10) 0.62446(15) 0.40082(10) 0.0338(8) Uani 1 1 d . . .
H12M H 0.2972 0.6042 0.4315 0.041 Uiso 1 1 calc R . .
O13M O 0.31615(10) 0.52606(13) 0.33967(11) 0.0351(8) Uani 1 1 d . . .
O21M O 0.28854(9) 0.72798(13) 0.35244(10) 0.0238(7) Uani 1 1 d . . .
H21M H 0.3063 0.7425 0.3861 0.029 Uiso 1 1 calc R . .
O22M O 0.23914(11) 0.78957(15) 0.19591(11) 0.0355(8) Uani 1 1 d . . .
H22M H 0.2338 0.8140 0.1677 0.043 Uiso 1 1 calc R . .
O31M O 0.24262(9) 0.62938(12) 0.29754(9) 0.0214(6) Uani 1 1 d . . .
H31M H 0.2331 0.5868 0.2976 0.026 Uiso 1 1 calc R . .
O32M O 0.22135(11) 0.81007(16) 0.35023(12) 0.0407(8) Uani 1 1 d . . .
H32M H 0.2095 0.8410 0.3638 0.049 Uiso 1 1 calc R . .
O33M O 0.24414(12) 0.71873(19) 0.43864(12) 0.0513(10) Uani 1 1 d . . .
O41M O 0.21310(9) 0.74293(13) 0.26953(10) 0.0254(7) Uani 1 1 d . . .
H41M H 0.1862 0.7670 0.2550 0.030 Uiso 1 1 calc R . .
O42M O 0.28173(10) 0.58482(14) 0.23903(10) 0.0322(7) Uani 1 1 d . . .
H42M H 0.2875 0.5501 0.2235 0.039 Uiso 1 1 calc R . .
O43M O 0.24868(12) 0.67580(17) 0.14503(12) 0.0463(9) Uani 1 1 d . . .
O11S O 0.37876(10) 0.71071(14) 0.35772(11) 0.0330(8) Uani 1 1 d . . .
O12S O 0.35580(9) 0.80116(14) 0.32504(11) 0.0324(7) Uani 1 1 d . . .
O21S O 0.22526(12) 0.88535(16) 0.26681(12) 0.0423(9) Uani 1 1 d . . .
O22S O 0.18061(14) 0.88391(18) 0.18963(13) 0.0530(11) Uani 1 1 d . . .
O31S O 0.15009(10) 0.66084(14) 0.28801(11) 0.0305(7) Uani 1 1 d . . .
O32S O 0.15591(9) 0.63117(15) 0.21762(10) 0.0305(7) Uani 1 1 d . . .
O41S O 0.72248(13) 1.07779(18) 0.38799(13) 0.0503(10) Uani 1 1 d D . .
H41S H 0.7244 1.0672 0.4163 0.060 Uiso 1 1 calc R . .
O42S O 0.67139(14) 1.07055(18) 0.31326(13) 0.0507(10) Uani 1 1 d D . .
N15S N 0.51278(12) 0.83082(17) 0.40170(13) 0.0285(9) Uani 1 1 d . . .
N25S N 0.09716(17) 0.9794(2) 0.27994(16) 0.0494(13) Uani 1 1 d . . .
N35S N 0.01118(16) 0.5586(2) 0.20437(16) 0.0491(12) Uani 1 1 d . . .
C11S C 0.38419(14) 0.7647(2) 0.34902(16) 0.0275(10) Uani 1 1 d . . .
C12S C 0.42943(14) 0.78760(19) 0.36757(15) 0.0261(10) Uani 1 1 d . . .
C13S C 0.46287(15) 0.7538(2) 0.39994(18) 0.0361(12) Uani 1 1 d . . .
H13S H 0.4576 0.7154 0.4109 0.043 Uiso 1 1 calc R . .
C14S C 0.50338(15) 0.7770(2) 0.41568(17) 0.0338(12) Uani 1 1 d . . .
H14S H 0.5261 0.7537 0.4377 0.041 Uiso 1 1 calc R . .
C16S C 0.48116(14) 0.8621(2) 0.37042(16) 0.0335(11) Uani 1 1 d . . .
H16S H 0.4878 0.8998 0.3596 0.040 Uiso 1 1 calc R . .
C17S C 0.43905(14) 0.8437(2) 0.35251(17) 0.0312(11) Uani 1 1 d . . .
H17S H 0.4172 0.8683 0.3306 0.037 Uiso 1 1 calc R . .
C21S C 0.19039(19) 0.8983(3) 0.23246(19) 0.0439(14) Uani 1 1 d . . .
C22S C 0.1586(2) 0.9297(3) 0.24891(19) 0.0478(15) Uani 1 1 d . . .
C23S C 0.1689(2) 0.9468(3) 0.2974(2) 0.0514(15) Uani 1 1 d . . .
H23S H 0.1973 0.9424 0.3205 0.062 Uiso 1 1 calc R . .
C24S C 0.1362(2) 0.9713(3) 0.3123(2) 0.068(2) Uani 1 1 d . . .
H24S H 0.1426 0.9817 0.3457 0.082 Uiso 1 1 calc R . .
C26S C 0.0878(2) 0.9645(3) 0.2347(2) 0.0509(15) Uani 1 1 d . . .
H26S H 0.0592 0.9707 0.2125 0.061 Uiso 1 1 calc R . .
C27S C 0.1164(2) 0.9402(3) 0.2168(2) 0.0531(16) Uani 1 1 d . . .
H27S H 0.1079 0.9305 0.1829 0.064 Uiso 1 1 calc R . .
C31S C 0.13668(14) 0.6362(2) 0.24757(15) 0.0257(10) Uani 1 1 d . . .
C32S C 0.09201(15) 0.6105(2) 0.23079(18) 0.0369(12) Uani 1 1 d . . .
C33S C 0.06546(19) 0.6255(3) 0.25627(18) 0.0472(14) Uani 1 1 d . . .
H33S H 0.0745 0.6529 0.2830 0.057 Uiso 1 1 calc R . .
C34S C 0.02563(19) 0.5988(3) 0.24105(18) 0.0453(14) Uani 1 1 d . . .
H34S H 0.0071 0.6096 0.2577 0.054 Uiso 1 1 calc R . .
C36S C 0.03692(16) 0.5471(2) 0.18109(19) 0.0395(13) Uani 1 1 d . . .
H36S H 0.0271 0.5194 0.1545 0.047 Uiso 1 1 calc R . .
C37S C 0.07706(15) 0.5716(2) 0.19166(17) 0.0328(11) Uani 1 1 d . . .
H37S H 0.0938 0.5620 0.1726 0.039 Uiso 1 1 calc R . .
C41S C 0.6872(2) 1.0619(2) 0.3575(2) 0.0626(19) Uani 1 1 d D . .
C42S C 0.6563(2) 1.0256(2) 0.3740(2) 0.0630(19) Uani 1 1 d D . .
C43S C 0.61806(18) 1.0037(2) 0.34018(18) 0.0437(13) Uani 1 1 d D . .
H43S H 0.6098 1.0141 0.3065 0.052 Uiso 1 1 calc R . .
C44S C 0.5918(2) 0.9669(3) 0.3550(2) 0.0514(15) Uani 1 1 d . . .
H44S H 0.5665 0.9504 0.3315 0.062 Uiso 1 1 calc R . .
N45S N 0.6030(2) 0.9545(3) 0.40499(19) 0.0653(16) Uani 1 1 d . . .
C46S C 0.6407(2) 0.9775(3) 0.4391(2) 0.0528(16) Uani 1 1 d . . .
H46S H 0.6487 0.9680 0.4730 0.063 Uiso 1 1 calc R . .
C47S C 0.6669(2) 1.0145(3) 0.4238(2) 0.0558(16) Uani 1 1 d D . .
H47S H 0.6919 1.0320 0.4472 0.067 Uiso 1 1 calc R . .
N1N N 0.49641(14) 0.5847(2) 0.63918(14) 0.0350(10) Uani 1 1 d . . .
O11N O 0.52778(12) 0.56782(17) 0.67547(13) 0.0482(10) Uani 1 1 d . . .
O12N O 0.48412(12) 0.63739(16) 0.63412(13) 0.0463(9) Uani 1 1 d . . .
O13N O 0.47748(14) 0.54602(18) 0.60742(14) 0.0581(12) Uani 1 1 d . . .
N2N N 0.4036(2) 0.4652(2) 0.45229(18) 0.0572(14) Uani 1 1 d . . .
O21N O 0.41602(15) 0.49264(19) 0.49093(14) 0.0599(12) Uani 1 1 d . . .
O22N O 0.43247(16) 0.4462(2) 0.43804(14) 0.0620(12) Uani 1 1 d . . .
O23N O 0.36535(14) 0.45698(19) 0.42582(15) 0.0630(13) Uani 1 1 d . . .
N3N N 0.3628(2) 0.7963(3) 0.59130(19) 0.0630(15) Uani 1 1 d . . .
O31N O 0.38731(17) 0.7596(2) 0.60605(16) 0.0673(13) Uani 1 1 d . . .
O32N O 0.32886(17) 0.7711(2) 0.56868(16) 0.0717(13) Uani 1 1 d . . .
O33N O 0.36725(16) 0.8517(2) 0.59459(15) 0.0714(13) Uani 1 1 d . . .
N4N N 0.0474(4) 0.2876(6) 0.0258(4) 0.063(3) Uani 0.50 1 d P A 1
O41N O 0.0607(3) 0.3372(5) 0.0221(3) 0.071(3) Uani 0.50 1 d P A 1
O42N O 0.0273(3) 0.2737(4) 0.0496(3) 0.069(3) Uani 0.50 1 d P A 1
O43N O 0.0552(3) 0.2540(5) -0.0018(3) 0.073(3) Uani 0.50 1 d P A 1
N5N N 0.2864(3) 1.0404(4) 0.4497(3) 0.037(2) Uani 0.50 1 d P . .
O51N O 0.3117(3) 1.0816(4) 0.4505(3) 0.050(2) Uani 0.50 1 d P . .
O52N O 0.2957(3) 0.9901(4) 0.4341(3) 0.065(2) Uani 0.50 1 d P . .
O53N O 0.2580(4) 1.0331(4) 0.4627(3) 0.072(3) Uani 0.50 1 d P . .
O1W O 0.35528(13) 0.21561(18) 1.01656(12) 0.0528(10) Uani 1 1 d . . .
O2W O 0.57012(12) 0.92506(17) 0.50550(12) 0.0459(9) Uani 1 1 d . . .
O3W O 0.23907(15) 0.8875(2) 0.42772(14) 0.0649(12) Uani 1 1 d . . .
O4W O 0.25165(16) 0.5579(2) 0.65755(14) 0.0684(13) Uani 1 1 d . . .
O5W O 0.09427(15) 0.3898(2) 0.86017(14) 0.0683(13) Uani 1 1 d . . .
O6W O 0.26536(15) 0.7873(2) 0.11288(14) 0.0640(12) Uani 1 1 d . . .
O7W O 0.73944(15) 1.1424(2) 0.47400(14) 0.0668(12) Uani 1 1 d . . .
O8W O 0.56583(15) 0.5960(2) 0.27100(14) 0.0648(12) Uani 1 1 d . . .
O9W O 0.19351(14) 0.78138(19) 0.48254(13) 0.0574(11) Uani 1 1 d . . .
O10W O 0.0756(3) 0.4920(4) -0.0598(3) 0.067(2) Uani 0.50 1 d P . .
O11W O 0.20532(15) 0.0028(2) 0.56112(14) 0.0674(13) Uani 1 1 d . . .
O12W O 0.24204(15) 0.1822(2) 0.70286(14) 0.0658(12) Uani 1 1 d . . .
O13W O 0.49410(15) 0.3138(2) 0.86418(14) 0.0675(12) Uani 1 1 d . . .
O14W O 0.38674(17) 0.4309(2) 0.63640(16) 0.0777(14) Uani 1 1 d . . .
O15W O 0.39576(15) 0.54784(19) 0.60427(14) 0.0631(12) Uani 1 1 d . . .
O16W O 0.09053(16) 0.6846(2) 0.53792(15) 0.0735(14) Uani 1 1 d . . .
O17W O 0.03050(16) 0.6492(2) -0.06608(15) 0.0752(14) Uani 1 1 d . . .
O18W O 0.30118(14) 0.50091(19) 0.61930(13) 0.0581(11) Uani 1 1 d . . .
O19W O 0.2501(5) 0.3256(6) 0.4645(5) 0.044(4) Uani 0.25 1 d P . .
O20W O 0.2191(3) 0.3519(4) 0.9800(3) 0.069(3) Uani 0.50 1 d P . .
O21W O 0.45800(14) 0.59479(19) 0.15375(13) 0.0576(11) Uani 1 1 d . . .
O22W O 0.28465(16) 0.5098(2) 0.43400(15) 0.0714(13) Uani 1 1 d . . .
O23W O 0.3055(5) 0.3829(7) 0.5152(5) 0.056(4) Uani 0.25 1 d P . .
O24W O 0.1126(3) 0.4017(4) -0.0078(3) 0.060(2) Uani 0.50 1 d P B 1
O25W O 0.2350(5) 0.4171(7) 0.4549(5) 0.048(4) Uani 0.25 1 d P . .
O26W O 0.12129(16) 0.5771(2) 0.59616(15) 0.0712(13) Uani 1 1 d . . .
O27W O 0.19795(16) 0.5098(2) 0.48977(14) 0.0695(13) Uani 1 1 d . . .
O28W O 0.04593(16) 0.5186(2) 0.60166(14) 0.0696(13) Uani 1 1 d . . .
O29W O 0.12121(16) 0.6376(2) -0.05191(15) 0.0765(14) Uani 1 1 d . . .
O30W O 0.0913(3) 0.3738(5) 0.0098(3) 0.070(3) Uani 0.50 1 d P C 2
O31W O 0.1984(6) 0.3642(8) 0.4369(6) 0.068(5) Uani 0.25 1 d P . .
O32W O 0.1425(3) 0.2001(4) 0.9249(3) 0.074(3) Uani 0.50 1 d P . .
O33W O 0.1368(3) 0.3357(4) 0.9454(3) 0.072(3) Uani 0.50 1 d P . .
O34W O 0.13397(16) 0.5057(2) 0.52747(15) 0.0727(14) Uani 1 1 d . . .
O35W O 0.0553(3) 0.4047(4) 0.4265(3) 0.073(3) Uani 0.50 1 d P . .
O36W O 0.0981(3) 0.3910(4) 0.4443(3) 0.070(3) Uani 0.50 1 d P . .
O37W O 0.16516(17) 0.7053(2) 0.53207(15) 0.0780(15) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O11M Pr1 O31M 73.20(10) . . ?
O11M Pr1 O11S 82.59(10) . . ?
O31M Pr1 O11S 143.51(10) . . ?
O11M Pr1 O21M 68.32(10) . . ?
O31M Pr1 O21M 70.48(9) . . ?
O11S Pr1 O21M 75.41(10) . . ?
O11M Pr1 O11 84.36(10) . . ?
O31M Pr1 O11 132.24(9) . . ?
O11S Pr1 O11 69.77(11) . . ?
O21M Pr1 O11 138.02(10) . . ?
O11M Pr1 O21 150.81(9) . . ?
O31M Pr1 O21 132.85(10) . . ?
O11S Pr1 O21 68.29(10) . . ?
O21M Pr1 O21 104.66(9) . . ?
O11 Pr1 O21 83.71(10) . . ?
O11M Pr1 O13M 135.93(10) . . ?
O31M Pr1 O13M 82.45(10) . . ?
O11S Pr1 O13M 132.76(10) . . ?
O21M Pr1 O13M 135.98(11) . . ?
O11 Pr1 O13M 85.77(11) . . ?
O21 Pr1 O13M 69.39(9) . . ?
O11M Pr1 O12M 124.67(10) . . ?
O31M Pr1 O12M 67.20(9) . . ?
O11S Pr1 O12M 108.07(11) . . ?
O21M Pr1 O12M 63.01(10) . . ?
O11 Pr1 O12M 150.85(9) . . ?
O21 Pr1 O12M 69.29(10) . . ?
O13M Pr1 O12M 74.83(11) . . ?
O11M Pr1 O42M 66.12(10) . . ?
O31M Pr1 O42M 62.61(10) . . ?
O11S Pr1 O42M 130.50(11) . . ?
O21M Pr1 O42M 121.41(9) . . ?
O11 Pr1 O42M 69.83(10) . . ?
O21 Pr1 O42M 132.68(10) . . ?
O13M Pr1 O42M 70.15(10) . . ?
O12M Pr1 O42M 121.15(10) . . ?
O11M Pr1 Pr3 79.78(7) . . ?
O31M Pr1 Pr3 36.80(7) . . ?
O11S Pr1 Pr3 113.01(8) . . ?
O21M Pr1 Pr3 38.07(7) . . ?
O11 Pr1 Pr3 163.27(7) . . ?
O21 Pr1 Pr3 112.84(8) . . ?
O13M Pr1 Pr3 101.96(8) . . ?
O12M Pr1 Pr3 45.55(7) . . ?
O42M Pr1 Pr3 98.59(7) . . ?
O11M Pr1 Pr4 37.97(7) . . ?
O31M Pr1 Pr4 39.17(7) . . ?
O11S Pr1 Pr4 120.35(7) . . ?
O21M Pr1 Pr4 77.12(6) . . ?
O11 Pr1 Pr4 100.82(7) . . ?
O21 Pr1 Pr4 171.15(7) . . ?
O13M Pr1 Pr4 103.17(7) . . ?
O12M Pr1 Pr4 104.60(6) . . ?
O42M Pr1 Pr4 44.34(7) . . ?
Pr3 Pr1 Pr4 63.129(19) . . ?
O11M Pr1 Pr2 35.41(7) . . ?
O31M Pr1 Pr2 75.29(7) . . ?
O11S Pr1 Pr2 69.25(7) . . ?
O21M Pr1 Pr2 34.32(7) . . ?
O11 Pr1 Pr2 108.93(7) . . ?
O21 Pr1 Pr2 127.37(7) . . ?
O13M Pr1 Pr2 157.73(7) . . ?
O12M Pr1 Pr2 96.48(7) . . ?
O42M Pr1 Pr2 98.64(7) . . ?
Pr3 Pr1 Pr2 59.671(10) . . ?
Pr4 Pr1 Pr2 58.537(7) . . ?
O21M Pr2 O21S 131.22(12) . . ?
O21M Pr2 O41M 71.30(9) . . ?
O21S Pr2 O41M 82.41(11) . . ?
O21M Pr2 O12S 80.24(10) . . ?
O21S Pr2 O12S 134.19(12) . . ?
O41M Pr2 O12S 143.39(10) . . ?
O21M Pr2 O11M 68.52(10) . . ?
O21S Pr2 O11M 139.92(10) . . ?
O41M Pr2 O11M 71.84(10) . . ?
O12S Pr2 O11M 76.64(10) . . ?
O21M Pr2 O51 149.51(10) . . ?
O21S Pr2 O51 74.04(12) . . ?
O41M Pr2 O51 136.39(9) . . ?
O12S Pr2 O51 69.28(10) . . ?
O11M Pr2 O51 104.19(11) . . ?
O21M Pr2 O41 82.23(10) . . ?
O21S Pr2 O41 81.08(11) . . ?
O41M Pr2 O41 125.83(11) . . ?
O12S Pr2 O41 70.36(11) . . ?
O11M Pr2 O41 138.96(10) . . ?
O51 Pr2 O41 86.46(11) . . ?
O21M Pr2 O22M 125.10(9) . . ?
O21S Pr2 O22M 75.86(11) . . ?
O41M Pr2 O22M 66.64(10) . . ?
O12S Pr2 O22M 116.16(11) . . ?
O11M Pr2 O22M 66.00(10) . . ?
O51 Pr2 O22M 72.23(10) . . ?
O41 Pr2 O22M 152.03(10) . . ?
O21M Pr2 O32M 64.27(10) . . ?
O21S Pr2 O32M 67.02(11) . . ?
O41M Pr2 O32M 59.64(9) . . ?
O12S Pr2 O32M 126.45(10) . . ?
O11M Pr2 O32M 120.02(10) . . ?
O51 Pr2 O32M 134.97(10) . . ?
O41 Pr2 O32M 66.39(10) . . ?
O22M Pr2 O32M 116.94(10) . . ?
O21M Pr2 Pr4 78.28(7) . . ?
O21S Pr2 Pr4 104.62(9) . . ?
O41M Pr2 Pr4 37.33(7) . . ?
O12S Pr2 Pr4 115.28(8) . . ?
O11M Pr2 Pr4 38.69(6) . . ?
O51 Pr2 Pr4 115.35(7) . . ?
O41 Pr2 Pr4 158.18(8) . . ?
O22M Pr2 Pr4 46.93(7) . . ?
O32M Pr2 Pr4 96.03(6) . . ?
O21M Pr2 Pr3 36.58(7) . . ?
O21S Pr2 Pr3 100.56(9) . . ?
O41M Pr2 Pr3 38.56(7) . . ?
O12S Pr2 Pr3 116.81(7) . . ?
O11M Pr2 Pr3 78.03(7) . . ?
O51 Pr2 Pr3 173.91(7) . . ?
O41 Pr2 Pr3 95.55(8) . . ?
O22M Pr2 Pr3 103.98(7) . . ?
O32M Pr2 Pr3 42.09(7) . . ?
Pr4 Pr2 Pr3 62.820(14) . . ?
O21M Pr2 Pr1 35.61(7) . . ?
O21S Pr2 Pr1 156.94(9) . . ?
O41M Pr2 Pr1 74.98(7) . . ?
O12S Pr2 Pr1 68.49(7) . . ?
O11M Pr2 Pr1 34.32(6) . . ?
O51 Pr2 Pr1 126.33(7) . . ?
O41 Pr2 Pr1 108.50(8) . . ?
O22M Pr2 Pr1 98.80(7) . . ?
O32M Pr2 Pr1 96.98(7) . . ?
Pr4 Pr2 Pr1 58.96(2) . . ?
Pr3 Pr2 Pr1 58.427(12) . . ?
O31M Pr3 O21M 71.61(10) . . ?
O31M Pr3 O31S 79.87(10) . . ?
O21M Pr3 O31S 140.45(10) . . ?
O31M Pr3 O41M 67.82(9) . . ?
O21M Pr3 O41M 69.54(9) . . ?
O31S Pr3 O41M 74.66(10) . . ?
O31M Pr3 O81 81.50(12) . . ?
O21M Pr3 O81 128.86(11) . . ?
O31S Pr3 O81 70.77(11) . . ?
O41M Pr3 O81 137.02(10) . . ?
O31M Pr3 O71 148.66(10) . . ?
O21M Pr3 O71 137.94(11) . . ?
O31S Pr3 O71 69.39(11) . . ?
O41M Pr3 O71 108.09(12) . . ?
O81 Pr3 O71 82.80(14) . . ?
O31M Pr3 O33M 136.04(11) . . ?
O21M Pr3 O33M 85.57(11) . . ?
O31S Pr3 O33M 133.50(12) . . ?
O41M Pr3 O33M 138.07(12) . . ?
O81 Pr3 O33M 84.87(12) . . ?
O71 Pr3 O33M 68.70(12) . . ?
O31M Pr3 O32M 126.17(11) . . ?
O21M Pr3 O32M 69.74(11) . . ?
O31S Pr3 O32M 109.06(10) . . ?
O41M Pr3 O32M 64.40(10) . . ?
O81 Pr3 O32M 152.28(13) . . ?
O71 Pr3 O32M 71.90(13) . . ?
O33M Pr3 O32M 75.68(12) . . ?
O31M Pr3 O12M 66.99(9) . . ?
O21M Pr3 O12M 62.78(10) . . ?
O31S Pr3 O12M 128.89(10) . . ?
O41M Pr3 O12M 121.80(10) . . ?
O81 Pr3 O12M 66.87(11) . . ?
O71 Pr3 O12M 129.48(12) . . ?
O33M Pr3 O12M 69.19(12) . . ?
O32M Pr3 O12M 121.78(10) . . ?
O31M Pr3 Pr1 37.43(6) . . ?
O21M Pr3 Pr1 38.66(7) . . ?
O31S Pr3 Pr1 117.17(8) . . ?
O41M Pr3 Pr1 77.18(7) . . ?
O81 Pr3 Pr1 96.61(10) . . ?
O71 Pr3 Pr1 172.89(8) . . ?
O33M Pr3 Pr1 104.19(10) . . ?
O32M Pr3 Pr1 107.09(8) . . ?
O12M Pr3 Pr1 44.73(7) . . ?
O31M Pr3 Pr2 77.40(7) . . ?
O21M Pr3 Pr2 35.78(7) . . ?
O31S Pr3 Pr2 112.07(8) . . ?
O41M Pr3 Pr2 37.48(7) . . ?
O81 Pr3 Pr2 157.66(10) . . ?
O71 Pr3 Pr2 119.30(10) . . ?
O33M Pr3 Pr2 105.38(9) . . ?
O32M Pr3 Pr2 49.54(8) . . ?
O12M Pr3 Pr2 97.78(7) . . ?
Pr1 Pr3 Pr2 61.902(15) . . ?
O31M Pr3 Pr4 35.30(6) . . ?
O21M Pr3 Pr4 73.74(7) . . ?
O31S Pr3 Pr4 67.18(8) . . ?
O41M Pr3 Pr4 33.93(7) . . ?
O81 Pr3 Pr4 107.06(9) . . ?
O71 Pr3 Pr4 128.53(9) . . ?
O33M Pr3 Pr4 159.28(9) . . ?
O32M Pr3 Pr4 97.66(8) . . ?
O12M Pr3 Pr4 99.42(7) . . ?
Pr1 Pr3 Pr4 58.44(3) . . ?
Pr2 Pr3 Pr4 57.776(16) . . ?
O41M Pr4 O32S 82.26(10) . . ?
O41M Pr4 O11M 72.73(10) . . ?
O32S Pr4 O11M 143.52(9) . . ?
O41M Pr4 O43M 134.19(11) . . ?
O32S Pr4 O43M 132.12(11) . . ?
O11M Pr4 O43M 83.79(11) . . ?
O41M Pr4 O101 149.73(12) . . ?
O32S Pr4 O101 67.56(12) . . ?
O11M Pr4 O101 134.47(12) . . ?
O43M Pr4 O101 71.04(13) . . ?
O41M Pr4 O31M 67.93(9) . . ?
O32S Pr4 O31M 75.08(10) . . ?
O11M Pr4 O31M 71.13(9) . . ?
O43M Pr4 O31M 139.60(11) . . ?
O101 Pr4 O31M 104.65(12) . . ?
O41M Pr4 O111 81.84(11) . . ?
O32S Pr4 O111 68.75(11) . . ?
O11M Pr4 O111 130.79(10) . . ?
O43M Pr4 O111 84.97(12) . . ?
O101 Pr4 O111 85.08(12) . . ?
O31M Pr4 O111 135.36(11) . . ?
O41M Pr4 O42M 123.37(9) . . ?
O32S Pr4 O42M 109.28(11) . . ?
O11M Pr4 O42M 66.44(10) . . ?
O43M Pr4 O42M 78.38(11) . . ?
O101 Pr4 O42M 71.59(11) . . ?
O31M Pr4 O42M 62.85(9) . . ?
O111 Pr4 O42M 154.69(10) . . ?
O41M Pr4 O22M 64.97(10) . . ?
O32S Pr4 O22M 127.69(11) . . ?
O11M Pr4 O22M 63.96(9) . . ?
O43M Pr4 O22M 69.45(11) . . ?
O101 Pr4 O22M 133.01(12) . . ?
O31M Pr4 O22M 121.87(9) . . ?
O111 Pr4 O22M 67.21(10) . . ?
O42M Pr4 O22M 122.60(10) . . ?
O41M Pr4 Pr2 38.14(7) . . ?
O32S Pr4 Pr2 120.27(7) . . ?
O11M Pr4 Pr2 38.84(7) . . ?
O43M Pr4 Pr2 102.14(9) . . ?
O101 Pr4 Pr2 172.13(9) . . ?
O31M Pr4 Pr2 77.81(7) . . ?
O111 Pr4 Pr2 98.45(8) . . ?
O42M Pr4 Pr2 103.58(7) . . ?
O22M Pr4 Pr2 44.07(6) . . ?
O41M Pr4 Pr1 78.22(6) . . ?
O32S Pr4 Pr1 112.82(7) . . ?
O11M Pr4 Pr1 36.92(7) . . ?
O43M Pr4 Pr1 105.59(8) . . ?
O101 Pr4 Pr1 114.81(10) . . ?
O31M Pr4 Pr1 38.00(7) . . ?
O111 Pr4 Pr1 159.48(8) . . ?
O42M Pr4 Pr1 45.69(6) . . ?
O22M Pr4 Pr1 99.57(6) . . ?
Pr2 Pr4 Pr1 62.500(18) . . ?
O41M Pr4 Pr3 35.62(7) . . ?
O32S Pr4 Pr3 68.86(7) . . ?
O11M Pr4 Pr3 75.42(7) . . ?
O43M Pr4 Pr3 159.02(8) . . ?
O101 Pr4 Pr3 126.45(10) . . ?
O31M Pr4 Pr3 33.72(7) . . ?
O111 Pr4 Pr3 106.44(9) . . ?
O42M Pr4 Pr3 95.53(7) . . ?
O22M Pr4 Pr3 98.29(7) . . ?
Pr2 Pr4 Pr3 59.404(14) . . ?
Pr1 Pr4 Pr3 58.43(2) . . ?
N15S Ag1 N45S 135.39(17) . . ?
N15S Ag1 O1M 132.91(16) . . ?
N45S Ag1 O1M 88.83(19) . . ?
N35S Ag2 N25S 156.41(17) . 2_545 ?
N35S Ag2 O2M 102.80(17) . . ?
N25S Ag2 O2M 96.59(16) 2_545 . ?
O3M Ag3 O141 97.52(11) . . ?
O3M Ag3 O151 101.93(13) . . ?
O141 Ag3 O151 77.03(11) . . ?
O3M Ag3 O4M 89.59(12) . . ?
O141 Ag3 O4M 172.65(11) . . ?
O151 Ag3 O4M 103.39(11) . . ?
O3M Ag3 O131 90.58(12) . . ?
O141 Ag3 O131 78.45(12) . . ?
O151 Ag3 O131 153.69(11) . . ?
O4M Ag3 O131 99.72(12) . . ?
C11 O11 Pr1 146.5(3) . . ?
C21 O21 Pr1 145.1(3) . . ?
C41 O41 Pr2 142.8(4) . . ?
C51 O51 Pr2 146.7(3) . . ?
C71 O71 Pr3 147.8(4) . . ?
C81 O81 Pr3 144.6(4) . . ?
C101 O101 Pr4 148.3(4) . . ?
C111 O111 Pr4 143.1(3) . . ?
C131 O131 Ag3 114.9(3) . . ?
C141 O141 Ag3 102.5(3) . . ?
C151 O151 Ag3 119.3(3) . . ?
C11 N11 C65 122.9(4) . . ?
C11 N11 C13 112.8(3) . . ?
C65 N11 C13 123.2(4) . . ?
C12 N12 C13 111.4(4) . . ?
C12 N12 C66 120.2(4) . . ?
C13 N12 C66 122.0(4) . . ?
C11 N13 C15 123.6(4) . . ?
C11 N13 C14 112.4(4) . . ?
C15 N13 C14 123.6(4) . . ?
C12 N14 C14 113.7(4) . . ?
C12 N14 C16 122.2(4) . . ?
C14 N14 C16 122.6(4) . . ?
C21 N21 C15 122.9(3) . . ?
C21 N21 C23 113.0(4) . . ?
C15 N21 C23 122.7(4) . . ?
C22 N22 C23 110.9(4) . . ?
C22 N22 C16 124.7(4) . . ?
C23 N22 C16 124.0(4) . . ?
C21 N23 C25 122.3(4) . . ?
C21 N23 C24 110.9(4) . . ?
C25 N23 C24 124.7(3) . . ?
C22 N24 C24 112.3(4) . . ?
C22 N24 C26 123.6(4) . . ?
C24 N24 C26 124.1(4) . . ?
C31 N31 C33 112.7(4) . . ?
C31 N31 C25 123.1(4) . . ?
C33 N31 C25 124.2(4) . . ?
C32 N32 C33 112.2(4) . . ?
C32 N32 C26 121.1(4) . . ?
C33 N32 C26 123.4(4) . . ?
C31 N33 C35 122.1(4) . . ?
C31 N33 C34 111.3(4) . . ?
C35 N33 C34 122.9(4) . . ?
C32 N34 C34 112.9(4) . . ?
C32 N34 C36 121.2(4) . . ?
C34 N34 C36 121.9(4) . . ?
C41 N41 C43 112.1(4) . . ?
C41 N41 C35 123.0(4) . . ?
C43 N41 C35 122.3(4) . . ?
C42 N42 C43 111.3(4) . . ?
C42 N42 C36 121.8(4) . . ?
C43 N42 C36 124.4(4) . . ?
C41 N43 C45 124.7(4) . . ?
C41 N43 C44 111.3(4) . . ?
C45 N43 C44 123.8(4) . . ?
C42 N44 C44 113.8(4) . . ?
C42 N44 C46 120.5(4) . . ?
C44 N44 C46 123.6(4) . . ?
C51 N51 C45 122.4(4) . . ?
C51 N51 C53 110.8(4) . . ?
C45 N51 C53 125.1(4) . . ?
C52 N52 C46 123.0(4) . . ?
C52 N52 C53 112.2(4) . . ?
C46 N52 C53 124.8(5) . . ?
C51 N53 C54 111.6(4) . . ?
C51 N53 C55 122.9(4) . . ?
C54 N53 C55 125.1(4) . . ?
C52 N54 C56 122.6(4) . . ?
C52 N54 C54 111.8(4) . . ?
C56 N54 C54 124.1(4) . . ?
C61 N61 C63 113.2(4) . . ?
C61 N61 C55 121.3(4) . . ?
C63 N61 C55 124.8(4) . . ?
C62 N62 C56 123.1(4) . . ?
C62 N62 C63 112.7(4) . . ?
C56 N62 C63 122.6(4) . . ?
C61 N63 C64 113.3(4) . . ?
C61 N63 C65 119.7(4) . . ?
C64 N63 C65 121.4(4) . . ?
C62 N64 C66 122.3(4) . . ?
C62 N64 C64 114.3(4) . . ?
C66 N64 C64 122.2(4) . . ?
C71 N71 C73 108.8(4) . . ?
C71 N71 C125 122.9(5) . . ?
C73 N71 C125 126.5(5) . . ?
C126 N72 C72 124.3(5) . . ?
C126 N72 C73 134.3(5) . . ?
C72 N72 C73 101.3(4) . . ?
C71 N73 C74 111.2(5) . . ?
C71 N73 C75 123.9(5) . . ?
C74 N73 C75 124.8(5) . . ?
C76 N74 C74 123.9(5) . . ?
C76 N74 C72 124.4(5) . . ?
C74 N74 C72 109.2(5) . . ?
C75 N81 C81 121.6(5) . . ?
C75 N81 C83 124.4(5) . . ?
C81 N81 C83 112.2(5) . . ?
C82 N82 C76 127.9(5) . . ?
C82 N82 C83 107.5(5) . . ?
C76 N82 C83 121.7(4) . . ?
C81 N83 C85 123.6(5) . . ?
C81 N83 C84 108.7(5) . . ?
C85 N83 C84 124.2(5) . . ?
C82 N84 C86 122.2(5) . . ?
C82 N84 C84 108.3(5) . . ?
C86 N84 C84 124.7(5) . . ?
C91 N91 C85 121.2(5) . . ?
C91 N91 C93 111.3(4) . . ?
C85 N91 C93 121.6(4) . . ?
C92 N92 C93 113.7(4) . . ?
C92 N92 C86 120.3(4) . . ?
C93 N92 C86 122.9(4) . . ?
C91 N93 C95 123.4(5) . . ?
C91 N93 C94 110.2(4) . . ?
C95 N93 C94 126.3(4) . . ?
C92 N94 C96 124.5(5) . . ?
C92 N94 C94 110.3(4) . . ?
C96 N94 C94 122.6(5) . . ?
C101 N101 C95 125.6(5) . . ?
C101 N101 C103 111.9(5) . . ?
C95 N101 C103 122.0(5) . . ?
C102 N102 C103 113.5(5) . . ?
C102 N102 C96 122.1(5) . . ?
C103 N102 C96 124.0(5) . . ?
C101 N103 C105 122.6(5) . . ?
C101 N103 C104 111.6(5) . . ?
C105 N103 C104 124.5(4) . . ?
C102 N104 C104 113.2(5) . . ?
C102 N104 C106 123.5(6) . . ?
C104 N104 C106 123.3(5) . . ?
C111 N111 C113 110.9(5) . . ?
C111 N111 C105 125.2(4) . . ?
C113 N111 C105 123.8(4) . . ?
C112 N112 C106 123.8(5) . . ?
C112 N112 C113 113.1(5) . . ?
C106 N112 C113 120.2(5) . . ?
C111 N113 C115 124.3(4) . . ?
C111 N113 C114 112.1(4) . . ?
C115 N113 C114 120.8(4) . . ?
C112 N114 C114 110.7(5) . . ?
C112 N114 C116 120.8(5) . . ?
C114 N114 C116 123.9(5) . . ?
C121 N121 C123 110.3(4) . . ?
C121 N121 C115 122.9(5) . . ?
C123 N121 C115 123.4(4) . . ?
C122 N122 C116 124.5(5) . . ?
C122 N122 C123 112.7(4) . . ?
C116 N122 C123 121.5(4) . . ?
C121 N123 C125 123.1(5) . . ?
C121 N123 C124 115.5(4) . . ?
C125 N123 C124 121.5(5) . . ?
C122 N124 C124 116.6(5) . . ?
C122 N124 C126 119.3(5) . . ?
C124 N124 C126 123.6(4) . . ?
C131 N131 C133 111.1(4) . . ?
C131 N131 C185 122.1(4) . . ?
C133 N131 C185 121.8(5) . . ?
C132 N132 C186 123.3(5) . . ?
C132 N132 C133 111.5(4) . . ?
C186 N132 C133 125.2(5) . . ?
C131 N133 C135 125.0(5) . . ?
C131 N133 C134 112.0(4) . . ?
C135 N133 C134 123.0(4) . . ?
C132 N134 C134 111.3(4) . . ?
C132 N134 C136 121.6(4) . . ?
C134 N134 C136 123.4(4) . . ?
C141 N141 C143 114.8(4) . . ?
C141 N141 C135 121.8(4) . . ?
C143 N141 C135 123.3(5) . . ?
C142 N142 C136 124.1(4) . . ?
C142 N142 C143 110.4(5) . . ?
C136 N142 C143 122.9(4) . . ?
C141 N143 C144 114.4(4) . . ?
C141 N143 C145 121.7(4) . . ?
C144 N143 C145 123.8(4) . . ?
C142 N144 C144 112.5(4) . . ?
C142 N144 C146 121.9(4) . . ?
C144 N144 C146 124.1(5) . . ?
C151 N151 C153 112.5(4) . . ?
C151 N151 C145 123.0(4) . . ?
C153 N151 C145 124.3(4) . . ?
C152 N152 C153 112.5(4) . . ?
C152 N152 C146 123.5(5) . . ?
C153 N152 C146 122.8(4) . . ?
C151 N153 C154 111.1(4) . . ?
C151 N153 C155 121.3(5) . . ?
C154 N153 C155 124.5(4) . . ?
C152 N154 C154 112.1(4) . . ?
C152 N154 C156 123.6(5) . . ?
C154 N154 C156 124.2(5) . . ?
C161 N161 C155 121.5(5) . . ?
C161 N161 C163 112.8(5) . . ?
C155 N161 C163 124.3(5) . . ?
C162 N162 C156 122.7(5) . . ?
C162 N162 C163 111.4(5) . . ?
C156 N162 C163 124.5(6) . . ?
C161 N163 C165 124.0(5) . . ?
C161 N163 C164 111.2(5) . . ?
C165 N163 C164 124.1(5) . . ?
C162 N164 C166 122.1(5) . . ?
C162 N164 C164 110.3(5) . . ?
C166 N164 C164 125.7(5) . . ?
C171 N171 C165 125.4(5) . . ?
C171 N171 C173 109.8(5) . . ?
C165 N171 C173 124.7(5) . . ?
C172 N172 C166 122.1(5) . . ?
C172 N172 C173 111.6(5) . . ?
C166 N172 C173 125.5(5) . . ?
C171 N173 C174 111.7(6) . . ?
C171 N173 C175 123.8(5) . . ?
C174 N173 C175 124.5(6) . . ?
C172 N174 C174 114.1(5) . . ?
C172 N174 C176 120.1(5) . . ?
C174 N174 C176 124.9(5) . . ?
C181 N181 C175 121.7(6) . . ?
C181 N181 C183 112.9(5) . . ?
C175 N181 C183 125.5(4) . . ?
C182 N182 C176 124.0(5) . . ?
C182 N182 C183 110.1(5) . . ?
C176 N182 C183 124.0(4) . . ?
C181 N183 C185 118.5(5) . . ?
C181 N183 C184 113.8(4) . . ?
C185 N183 C184 124.4(5) . . ?
C182 N184 C184 113.4(5) . . ?
C182 N184 C186 122.9(5) . . ?
C184 N184 C186 123.6(5) . . ?
O11 C11 N13 125.1(4) . . ?
O11 C11 N11 126.1(4) . . ?
N13 C11 N11 108.8(4) . . ?
O12 C12 N14 127.4(4) . . ?
O12 C12 N12 125.5(5) . . ?
N14 C12 N12 107.0(4) . . ?
N12 C13 N11 114.9(4) . . ?
N12 C13 C14 104.5(3) . . ?
N11 C13 C14 102.6(4) . . ?
N13 C14 N14 115.0(4) . . ?
N13 C14 C13 103.3(3) . . ?
N14 C14 C13 102.1(4) . . ?
N13 C15 N21 112.8(4) . . ?
N22 C16 N14 112.3(4) . . ?
O21 C21 N21 125.7(4) . . ?
O21 C21 N23 125.4(4) . . ?
N21 C21 N23 108.8(4) . . ?
O22 C22 N24 125.4(5) . . ?
O22 C22 N22 125.0(5) . . ?
N24 C22 N22 109.7(4) . . ?
N22 C23 N21 115.7(4) . . ?
N22 C23 C24 104.1(4) . . ?
N21 C23 C24 102.3(4) . . ?
N24 C24 N23 115.1(4) . . ?
N24 C24 C23 102.3(4) . . ?
N23 C24 C23 104.3(3) . . ?
N23 C25 N31 113.6(4) . . ?
N32 C26 N24 114.3(3) . . ?
O31 C31 N31 125.4(4) . . ?
O31 C31 N33 125.4(4) . . ?
N31 C31 N33 109.1(4) . . ?
O32 C32 N34 127.0(5) . . ?
O32 C32 N32 126.0(5) . . ?
N34 C32 N32 107.0(4) . . ?
N32 C33 N31 116.4(4) . . ?
N32 C33 C34 104.1(4) . . ?
N31 C33 C34 103.0(3) . . ?
N34 C34 N33 114.3(4) . . ?
N34 C34 C33 102.7(4) . . ?
N33 C34 C33 103.4(3) . . ?
N33 C35 N41 114.7(4) . . ?
N34 C36 N42 112.4(4) . . ?
O41 C41 N41 124.5(4) . . ?
O41 C41 N43 125.8(4) . . ?
N41 C41 N43 109.6(4) . . ?
O42 C42 N44 127.3(5) . . ?
O42 C42 N42 126.5(4) . . ?
N44 C42 N42 106.2(4) . . ?
N42 C43 N41 115.2(4) . . ?
N42 C43 C44 105.3(4) . . ?
N41 C43 C44 102.4(3) . . ?
N44 C44 N43 114.6(4) . . ?
N44 C44 C43 102.7(4) . . ?
N43 C44 C43 104.2(4) . . ?
N51 C45 N43 113.9(4) . . ?
N52 C46 N44 114.2(4) . . ?
O51 C51 N51 125.2(5) . . ?
O51 C51 N53 124.1(4) . . ?
N51 C51 N53 110.7(4) . . ?
O52 C52 N52 127.3(5) . . ?
O52 C52 N54 124.6(5) . . ?
N52 C52 N54 108.0(4) . . ?
N52 C53 N51 115.9(4) . . ?
N52 C53 C54 104.1(4) . . ?
N51 C53 C54 103.4(4) . . ?
N53 C54 N54 115.7(4) . . ?
N53 C54 C53 103.1(4) . . ?
N54 C54 C53 102.5(4) . . ?
N53 C55 N61 112.9(3) . . ?
N54 C56 N62 112.8(4) . . ?
O61 C61 N63 127.4(4) . . ?
O61 C61 N61 125.6(4) . . ?
N63 C61 N61 107.0(4) . . ?
O62 C62 N64 126.9(4) . . ?
O62 C62 N62 126.0(5) . . ?
N64 C62 N62 107.1(4) . . ?
N61 C63 N62 115.1(4) . . ?
N61 C63 C64 102.0(4) . . ?
N62 C63 C64 104.0(4) . . ?
N63 C64 N64 115.5(4) . . ?
N63 C64 C63 103.4(4) . . ?
N64 C64 C63 101.4(4) . . ?
N11 C65 N63 113.7(4) . . ?
N64 C66 N12 114.4(4) . . ?
O71 C71 N71 123.8(5) . . ?
O71 C71 N73 124.9(5) . . ?
N71 C71 N73 111.3(5) . . ?
O72 C72 N72 125.8(5) . . ?
O72 C72 N74 119.3(5) . . ?
N72 C72 N74 114.9(5) . . ?
N71 C73 N72 109.8(4) . . ?
N71 C73 C74 105.2(4) . . ?
N72 C73 C74 111.2(4) . . ?
N74 C74 N73 118.1(5) . . ?
N74 C74 C73 102.1(4) . . ?
N73 C74 C73 102.8(5) . . ?
N81 C75 N73 111.7(4) . . ?
N74 C76 N82 109.7(5) . . ?
O81 C81 N83 125.6(6) . . ?
O81 C81 N81 124.6(5) . . ?
N83 C81 N81 109.7(5) . . ?
O82 C82 N84 126.9(5) . . ?
O82 C82 N82 120.0(5) . . ?
N84 C82 N82 113.0(5) . . ?
N81 C83 N82 114.4(5) . . ?
N81 C83 C84 104.5(5) . . ?
N82 C83 C84 102.7(4) . . ?
N84 C84 C83 106.8(5) . . ?
N84 C84 N83 110.9(4) . . ?
C83 C84 N83 104.5(5) . . ?
N91 C85 N83 112.7(4) . . ?
N84 C86 N92 112.6(5) . . ?
O91 C91 N91 128.4(5) . . ?
O91 C91 N93 122.6(5) . . ?
N91 C91 N93 109.0(5) . . ?
O92 C92 N92 128.2(5) . . ?
O92 C92 N94 124.7(5) . . ?
N92 C92 N94 107.1(4) . . ?
N92 C93 N91 113.8(5) . . ?
N92 C93 C94 103.7(4) . . ?
N91 C93 C94 104.1(5) . . ?
N93 C94 C93 104.6(4) . . ?
N93 C94 N94 114.8(4) . . ?
C93 C94 N94 104.0(5) . . ?
N93 C95 N101 113.2(5) . . ?
N94 C96 N102 113.0(4) . . ?
O101 C101 N103 124.9(6) . . ?
O101 C101 N101 123.7(5) . . ?
N103 C101 N101 111.4(5) . . ?
O102 C102 N104 126.8(6) . . ?
O102 C102 N102 125.3(5) . . ?
N104 C102 N102 107.8(6) . . ?
N102 C103 N101 117.9(5) . . ?
N102 C103 C104 103.9(5) . . ?
N101 C103 C104 101.0(5) . . ?
N103 C104 N104 116.4(5) . . ?
N103 C104 C103 103.6(4) . . ?
N104 C104 C103 101.0(5) . . ?
N103 C105 N111 114.4(5) . . ?
N112 C106 N104 114.0(4) . . ?
O111 C111 N113 126.9(5) . . ?
O111 C111 N111 122.8(6) . . ?
N113 C111 N111 110.2(4) . . ?
O112 C112 N112 127.3(5) . . ?
O112 C112 N114 124.3(5) . . ?
N112 C112 N114 108.4(5) . . ?
N111 C113 N112 114.9(5) . . ?
N111 C113 C114 103.7(4) . . ?
N112 C113 C114 101.4(5) . . ?
N114 C114 N113 114.4(4) . . ?
N114 C114 C113 105.5(5) . . ?
N113 C114 C113 102.9(5) . . ?
N113 C115 N121 115.3(5) . . ?
N122 C116 N114 115.4(4) . . ?
O121 C121 N123 128.4(5) . . ?
O121 C121 N121 122.1(5) . . ?
N123 C121 N121 109.5(4) . . ?
O122 C122 N124 130.8(6) . . ?
O122 C122 N122 123.0(5) . . ?
N124 C122 N122 105.8(5) . . ?
N121 C123 N122 115.7(5) . . ?
N121 C123 C124 104.4(4) . . ?
N122 C123 C124 100.9(5) . . ?
N124 C124 N123 119.5(5) . . ?
N124 C124 C123 104.0(4) . . ?
N123 C124 C123 100.1(5) . . ?
N123 C125 N71 113.5(4) . . ?
N72 C126 N124 113.4(6) . . ?
O131 C131 N133 125.4(5) . . ?
O131 C131 N131 125.3(5) . . ?
N133 C131 N131 109.3(5) . . ?
O132 C132 N132 126.7(5) . . ?
O132 C132 N134 124.4(5) . . ?
N132 C132 N134 108.9(4) . . ?
N132 C133 N131 113.3(4) . . ?
N132 C133 C134 104.1(4) . . ?
N131 C133 C134 102.3(4) . . ?
N134 C134 N133 114.1(4) . . ?
N134 C134 C133 102.2(4) . . ?
N133 C134 C133 103.4(4) . . ?
N133 C135 N141 115.1(4) . . ?
N142 C136 N134 113.3(4) . . ?
O141 C141 N141 126.7(5) . . ?
O141 C141 N143 126.5(5) . . ?
N141 C141 N143 106.7(4) . . ?
O142 C142 N144 126.6(5) . . ?
O142 C142 N142 123.0(5) . . ?
N144 C142 N142 110.3(4) . . ?
N142 C143 N141 114.8(4) . . ?
N142 C143 C144 104.7(4) . . ?
N141 C143 C144 101.5(4) . . ?
N143 C144 N144 114.1(4) . . ?
N143 C144 C143 102.5(4) . . ?
N144 C144 C143 101.7(4) . . ?
N151 C145 N143 113.0(4) . . ?
N152 C146 N144 112.6(4) . . ?
O151 C151 N151 125.7(5) . . ?
O151 C151 N153 124.9(5) . . ?
N151 C151 N153 109.3(5) . . ?
O152 C152 N152 125.4(5) . . ?
O152 C152 N154 125.8(5) . . ?
N152 C152 N154 108.8(5) . . ?
N151 C153 N152 115.7(4) . . ?
N151 C153 C154 102.5(4) . . ?
N152 C153 C154 102.2(4) . . ?
N154 C154 N153 116.0(5) . . ?
N154 C154 C153 103.4(4) . . ?
N153 C154 C153 103.7(4) . . ?
N161 C155 N153 114.3(4) . . ?
N162 C156 N154 113.7(4) . . ?
O161 C161 N161 126.7(5) . . ?
O161 C161 N163 126.0(6) . . ?
N161 C161 N163 107.3(5) . . ?
O162 C162 N162 124.8(6) . . ?
O162 C162 N164 126.5(6) . . ?
N162 C162 N164 108.7(5) . . ?
N162 C163 N161 113.5(4) . . ?
N162 C163 C164 103.7(5) . . ?
N161 C163 C164 103.1(5) . . ?
N164 C164 N163 113.2(5) . . ?
N164 C164 C163 104.9(4) . . ?
N163 C164 C163 105.1(4) . . ?
N171 C165 N163 114.5(4) . . ?
N164 C166 N172 114.1(5) . . ?
O171 C171 N171 123.6(7) . . ?
O171 C171 N173 126.0(6) . . ?
N171 C171 N173 110.3(6) . . ?
O172 C172 N172 126.3(5) . . ?
O172 C172 N174 126.5(5) . . ?
N172 C172 N174 107.2(5) . . ?
N172 C173 C174 105.4(5) . . ?
N172 C173 N171 112.7(5) . . ?
C174 C173 N171 103.3(5) . . ?
N174 C174 N173 115.2(4) . . ?
N174 C174 C173 101.7(5) . . ?
N173 C174 C173 104.8(5) . . ?
N173 C175 N181 116.0(4) . . ?
N182 C176 N174 115.5(4) . . ?
O181 C181 N181 127.6(6) . . ?
O181 C181 N183 126.9(5) . . ?
N181 C181 N183 105.3(6) . . ?
O182 C182 N182 124.7(5) . . ?
O182 C182 N184 126.9(5) . . ?
N182 C182 N184 108.4(5) . . ?
N181 C183 N182 114.7(5) . . ?
N181 C183 C184 104.5(4) . . ?
N182 C183 C184 103.9(4) . . ?
N184 C184 N183 114.1(5) . . ?
N184 C184 C183 102.5(4) . . ?
N183 C184 C183 101.9(4) . . ?
N183 C185 N131 112.4(4) . . ?
N132 C186 N184 114.9(5) . . ?
Pr1 O11M Pr4 105.11(11) . . ?
Pr1 O11M Pr2 110.27(11) . . ?
Pr4 O11M Pr2 102.47(11) . . ?
Pr1 O12M Pr3 89.71(9) . . ?
Pr2 O21M Pr3 107.64(11) . . ?
Pr2 O21M Pr1 110.06(12) . . ?
Pr3 O21M Pr1 103.26(11) . . ?
Pr2 O22M Pr4 89.00(9) . . ?
Pr3 O31M Pr1 105.77(10) . . ?
Pr3 O31M Pr4 110.99(11) . . ?
Pr1 O31M Pr4 102.82(11) . . ?
Pr3 O32M Pr2 88.36(10) . . ?
Pr4 O41M Pr2 104.54(12) . . ?
Pr4 O41M Pr3 110.46(11) . . ?
Pr2 O41M Pr3 103.96(10) . . ?
Pr4 O42M Pr1 89.97(10) . . ?
C11S O11S Pr1 136.0(3) . . ?
C11S O12S Pr2 136.8(3) . . ?
C21S O21S Pr2 140.1(4) . . ?
C31S O31S Pr3 137.8(3) . . ?
C31S O32S Pr4 135.2(3) . . ?
C16S N15S C14S 117.7(4) . . ?
C16S N15S Ag1 115.8(3) . . ?
C14S N15S Ag1 126.4(3) . . ?
C26S N25S C24S 120.5(7) . . ?
C26S N25S Ag2 119.4(4) . 2 ?
C24S N25S Ag2 120.0(5) . 2 ?
C36S N35S C34S 115.6(5) . . ?
C36S N35S Ag2 127.7(4) . . ?
C34S N35S Ag2 116.3(4) . . ?
O12S C11S O11S 126.6(4) . . ?
O12S C11S C12S 116.4(4) . . ?
O11S C11S C12S 117.0(4) . . ?
C13S C12S C17S 118.2(4) . . ?
C13S C12S C11S 121.2(4) . . ?
C17S C12S C11S 120.5(4) . . ?
C14S C13S C12S 118.7(4) . . ?
N15S C14S C13S 123.4(4) . . ?
N15S C16S C17S 124.0(4) . . ?
C16S C17S C12S 118.0(4) . . ?
O22S C21S O21S 125.4(6) . . ?
O22S C21S C22S 120.0(5) . . ?
O21S C21S C22S 114.3(5) . . ?
C23S C22S C27S 116.7(6) . . ?
C23S C22S C21S 121.4(5) . . ?
C27S C22S C21S 121.8(5) . . ?
C22S C23S C24S 119.2(6) . . ?
N25S C24S C23S 120.4(6) . . ?
N25S C26S C27S 123.8(6) . . ?
C26S C27S C22S 119.3(6) . . ?
O31S C31S O32S 127.2(4) . . ?
O31S C31S C32S 116.8(4) . . ?
O32S C31S C32S 116.0(4) . . ?
C37S C32S C33S 119.0(5) . . ?
C37S C32S C31S 121.6(5) . . ?
C33S C32S C31S 119.3(4) . . ?
C34S C33S C32S 117.3(5) . . ?
N35S C34S C33S 124.6(6) . . ?
N35S C36S C37S 125.7(5) . . ?
C32S C37S C36S 117.6(5) . . ?
O42S C41S O41S 130.0(7) . . ?
O42S C41S C42S 109.8(6) . . ?
O41S C41S C42S 120.2(6) . . ?
C47S C42S C43S 119.9(7) . . ?
C47S C42S C41S 119.0(6) . . ?
C43S C42S C41S 121.1(6) . . ?
C44S C43S C42S 120.8(6) . . ?
C43S C44S N45S 119.2(5) . . ?
C46S N45S C44S 120.2(6) . . ?
C46S N45S Ag1 117.3(4) . . ?
C44S N45S Ag1 118.9(4) . . ?
N45S C46S C47S 120.1(6) . . ?
C42S C47S C46S 119.6(6) . . ?
O12N N1N O11N 122.0(4) . . ?
O12N N1N O13N 120.4(4) . . ?
O11N N1N O13N 117.6(4) . . ?
O21N N2N O23N 125.2(7) . . ?
O21N N2N O22N 115.6(5) . . ?
O23N N2N O22N 119.1(5) . . ?
O31N N3N O32N 106.3(6) . . ?
O31N N3N O33N 129.8(7) . . ?
O32N N3N O33N 123.9(6) . . ?
O42N N4N O43N 123.4(14) . . ?
O42N N4N O41N 127.0(13) . . ?
O43N N4N O41N 109.4(14) . . ?
O53N N5N O51N 137.1(11) . . ?
O53N N5N O52N 109.4(11) . . ?
O51N N5N O52N 113.2(10) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pr1 O11M 2.387(3) . ?
Pr1 O31M 2.422(3) . ?
Pr1 O11S 2.441(3) . ?
Pr1 O21M 2.462(3) . ?
Pr1 O11 2.494(3) . ?
Pr1 O21 2.503(3) . ?
Pr1 O13M 2.528(3) . ?
Pr1 O12M 2.699(3) . ?
Pr1 O42M 2.744(3) . ?
Pr1 Pr3 3.8350(8) . ?
Pr1 Pr4 3.8357(15) . ?
Pr1 Pr2 3.9708(8) . ?
Pr2 O21M 2.384(3) . ?
Pr2 O21S 2.417(4) . ?
Pr2 O41M 2.436(3) . ?
Pr2 O12S 2.451(3) . ?
Pr2 O11M 2.453(3) . ?
Pr2 O51 2.472(3) . ?
Pr2 O41 2.483(3) . ?
Pr2 O22M 2.656(3) . ?
Pr2 O32M 2.957(4) . ?
Pr2 Pr4 3.8185(8) . ?
Pr2 Pr3 3.8853(7) . ?
Pr3 O31M 2.387(3) . ?
Pr3 O21M 2.430(3) . ?
Pr3 O31S 2.432(3) . ?
Pr3 O41M 2.496(3) . ?
Pr3 O81 2.496(3) . ?
Pr3 O71 2.509(4) . ?
Pr3 O33M 2.535(3) . ?
Pr3 O32M 2.606(4) . ?
Pr3 O12M 2.738(3) . ?
Pr3 Pr4 4.0153(9) . ?
Pr4 O41M 2.392(3) . ?
Pr4 O32S 2.421(3) . ?
Pr4 O11M 2.445(3) . ?
Pr4 O43M 2.476(4) . ?
Pr4 O101 2.483(3) . ?
Pr4 O31M 2.485(3) . ?
Pr4 O111 2.517(3) . ?
Pr4 O42M 2.681(3) . ?
Pr4 O22M 2.790(3) . ?
Ag1 N15S 2.158(4) . ?
Ag1 N45S 2.235(6) . ?
Ag1 O1M 2.398(5) . ?
Ag2 N35S 2.123(5) . ?
Ag2 N25S 2.181(6) 2_545 ?
Ag2 O2M 2.546(4) . ?
Ag3 O3M 2.348(4) . ?
Ag3 O141 2.501(3) . ?
Ag3 O151 2.544(4) . ?
Ag3 O4M 2.565(3) . ?
Ag3 O131 2.589(4) . ?
O11 C11 1.231(5) . ?
O12 C12 1.203(5) . ?
O21 C21 1.225(5) . ?
O22 C22 1.237(5) . ?
O31 C31 1.227(5) . ?
O32 C32 1.207(6) . ?
O41 C41 1.233(5) . ?
O42 C42 1.198(6) . ?
O51 C51 1.257(5) . ?
O52 C52 1.222(5) . ?
O61 C61 1.207(6) . ?
O62 C62 1.210(5) . ?
O71 C71 1.225(6) . ?
O72 C72 1.260(6) . ?
O81 C81 1.239(6) . ?
O82 C82 1.282(6) . ?
O91 C91 1.254(6) . ?
O92 C92 1.221(7) . ?
O101 C101 1.274(7) . ?
O102 C102 1.204(7) . ?
O111 C111 1.234(6) . ?
O112 C112 1.216(6) . ?
O121 C121 1.280(6) . ?
O122 C122 1.180(7) . ?
O131 C131 1.239(6) . ?
O132 C132 1.222(6) . ?
O141 C141 1.213(6) . ?
O142 C142 1.249(6) . ?
O151 C151 1.239(6) . ?
O152 C152 1.245(7) . ?
O161 C161 1.199(7) . ?
O162 C162 1.216(7) . ?
O171 C171 1.257(7) . ?
O172 C172 1.219(6) . ?
O181 C181 1.192(7) . ?
O182 C182 1.220(6) . ?
N11 C11 1.360(6) . ?
N11 C65 1.445(5) . ?
N11 C13 1.451(6) . ?
N12 C12 1.399(5) . ?
N12 C13 1.437(6) . ?
N12 C66 1.447(6) . ?
N13 C11 1.349(5) . ?
N13 C15 1.439(6) . ?
N13 C14 1.453(6) . ?
N14 C12 1.356(6) . ?
N14 C14 1.455(6) . ?
N14 C16 1.468(5) . ?
N21 C21 1.345(6) . ?
N21 C15 1.460(5) . ?
N21 C23 1.466(5) . ?
N22 C22 1.364(6) . ?
N22 C23 1.443(6) . ?
N22 C16 1.449(6) . ?
N23 C21 1.376(5) . ?
N23 C25 1.429(6) . ?
N23 C24 1.462(6) . ?
N24 C22 1.334(7) . ?
N24 C24 1.458(5) . ?
N24 C26 1.459(6) . ?
N31 C31 1.350(6) . ?
N31 C33 1.453(5) . ?
N31 C25 1.455(6) . ?
N32 C32 1.379(6) . ?
N32 C33 1.421(6) . ?
N32 C26 1.448(6) . ?
N33 C31 1.377(5) . ?
N33 C35 1.414(6) . ?
N33 C34 1.456(5) . ?
N34 C32 1.377(6) . ?
N34 C34 1.430(6) . ?
N34 C36 1.445(6) . ?
N41 C41 1.352(5) . ?
N41 C43 1.466(6) . ?
N41 C35 1.468(6) . ?
N42 C42 1.419(6) . ?
N42 C43 1.428(6) . ?
N42 C36 1.461(6) . ?
N43 C41 1.361(6) . ?
N43 C45 1.434(6) . ?
N43 C44 1.453(5) . ?
N44 C42 1.381(6) . ?
N44 C44 1.435(6) . ?
N44 C46 1.458(6) . ?
N51 C51 1.345(6) . ?
N51 C45 1.424(6) . ?
N51 C53 1.451(6) . ?
N52 C52 1.371(7) . ?
N52 C46 1.439(6) . ?
N52 C53 1.440(6) . ?
N53 C51 1.349(6) . ?
N53 C54 1.438(6) . ?
N53 C55 1.442(6) . ?
N54 C52 1.375(6) . ?
N54 C56 1.444(7) . ?
N54 C54 1.462(6) . ?
N61 C61 1.382(6) . ?
N61 C63 1.431(6) . ?
N61 C55 1.469(6) . ?
N62 C62 1.378(6) . ?
N62 C56 1.456(6) . ?
N62 C63 1.467(6) . ?
N63 C61 1.349(6) . ?
N63 C64 1.424(6) . ?
N63 C65 1.474(6) . ?
N64 C62 1.373(6) . ?
N64 C66 1.437(6) . ?
N64 C64 1.477(6) . ?
N71 C71 1.342(7) . ?
N71 C73 1.483(7) . ?
N71 C125 1.489(7) . ?
N72 C126 1.309(7) . ?
N72 C72 1.373(7) . ?
N72 C73 1.499(6) . ?
N73 C71 1.392(7) . ?
N73 C74 1.443(8) . ?
N73 C75 1.447(7) . ?
N74 C76 1.375(7) . ?
N74 C74 1.406(7) . ?
N74 C72 1.449(7) . ?
N81 C75 1.335(6) . ?
N81 C81 1.402(7) . ?
N81 C83 1.408(7) . ?
N82 C82 1.418(7) . ?
N82 C76 1.424(8) . ?
N82 C83 1.478(7) . ?
N83 C81 1.340(7) . ?
N83 C85 1.460(7) . ?
N83 C84 1.513(8) . ?
N84 C82 1.289(8) . ?
N84 C86 1.430(7) . ?
N84 C84 1.476(7) . ?
N91 C91 1.321(7) . ?
N91 C85 1.424(6) . ?
N91 C93 1.461(7) . ?
N92 C92 1.350(6) . ?
N92 C93 1.449(7) . ?
N92 C86 1.469(7) . ?
N93 C91 1.373(6) . ?
N93 C95 1.423(7) . ?
N93 C94 1.448(7) . ?
N94 C92 1.359(7) . ?
N94 C96 1.425(6) . ?
N94 C94 1.502(7) . ?
N101 C101 1.331(7) . ?
N101 C95 1.470(7) . ?
N101 C103 1.475(7) . ?
N102 C102 1.375(7) . ?
N102 C103 1.393(8) . ?
N102 C96 1.481(7) . ?
N103 C101 1.313(7) . ?
N103 C105 1.447(7) . ?
N103 C104 1.450(7) . ?
N104 C102 1.320(7) . ?
N104 C104 1.474(7) . ?
N104 C106 1.479(7) . ?
N111 C111 1.371(6) . ?
N111 C113 1.464(7) . ?
N111 C105 1.479(7) . ?
N112 C112 1.357(7) . ?
N112 C106 1.466(7) . ?
N112 C113 1.471(7) . ?
N113 C111 1.337(7) . ?
N113 C115 1.452(6) . ?
N113 C114 1.472(6) . ?
N114 C112 1.386(7) . ?
N114 C114 1.446(7) . ?
N114 C116 1.472(7) . ?
N121 C121 1.359(6) . ?
N121 C123 1.428(8) . ?
N121 C115 1.475(7) . ?
N122 C122 1.372(8) . ?
N122 C116 1.446(6) . ?
N122 C123 1.509(7) . ?
N123 C121 1.283(8) . ?
N123 C125 1.416(6) . ?
N123 C124 1.434(7) . ?
N124 C122 1.356(7) . ?
N124 C124 1.399(7) . ?
N124 C126 1.457(7) . ?
N131 C131 1.360(7) . ?
N131 C133 1.473(7) . ?
N131 C185 1.476(6) . ?
N132 C132 1.345(7) . ?
N132 C186 1.428(7) . ?
N132 C133 1.444(6) . ?
N133 C131 1.352(6) . ?
N133 C135 1.448(6) . ?
N133 C134 1.451(7) . ?
N134 C132 1.378(6) . ?
N134 C134 1.445(6) . ?
N134 C136 1.452(6) . ?
N141 C141 1.354(7) . ?
N141 C143 1.455(6) . ?
N141 C135 1.455(7) . ?
N142 C142 1.375(6) . ?
N142 C136 1.404(7) . ?
N142 C143 1.445(6) . ?
N143 C141 1.372(6) . ?
N143 C144 1.438(6) . ?
N143 C145 1.457(7) . ?
N144 C142 1.361(7) . ?
N144 C144 1.454(6) . ?
N144 C146 1.464(7) . ?
N151 C151 1.349(6) . ?
N151 C153 1.433(6) . ?
N151 C145 1.449(6) . ?
N152 C152 1.339(6) . ?
N152 C153 1.445(6) . ?
N152 C146 1.452(6) . ?
N153 C151 1.357(6) . ?
N153 C154 1.440(6) . ?
N153 C155 1.468(6) . ?
N154 C152 1.360(7) . ?
N154 C154 1.426(7) . ?
N154 C156 1.475(6) . ?
N161 C161 1.371(8) . ?
N161 C155 1.413(7) . ?
N161 C163 1.476(7) . ?
N162 C162 1.357(8) . ?
N162 C156 1.409(7) . ?
N162 C163 1.456(7) . ?
N163 C161 1.387(7) . ?
N163 C165 1.448(7) . ?
N163 C164 1.475(7) . ?
N164 C162 1.374(7) . ?
N164 C166 1.430(7) . ?
N164 C164 1.445(7) . ?
N171 C171 1.338(7) . ?
N171 C165 1.427(8) . ?
N171 C173 1.499(7) . ?
N172 C172 1.313(7) . ?
N172 C166 1.448(7) . ?
N172 C173 1.470(6) . ?
N173 C171 1.346(8) . ?
N173 C174 1.436(7) . ?
N173 C175 1.438(8) . ?
N174 C172 1.383(7) . ?
N174 C174 1.427(7) . ?
N174 C176 1.450(7) . ?
N181 C181 1.367(7) . ?
N181 C175 1.445(7) . ?
N181 C183 1.463(8) . ?
N182 C182 1.347(7) . ?
N182 C176 1.433(6) . ?
N182 C183 1.472(7) . ?
N183 C181 1.396(7) . ?
N183 C185 1.429(6) . ?
N183 C184 1.459(7) . ?
N184 C182 1.349(7) . ?
N184 C184 1.435(6) . ?
N184 C186 1.441(7) . ?
C13 C14 1.551(6) . ?
C23 C24 1.541(7) . ?
C33 C34 1.554(7) . ?
C43 C44 1.547(7) . ?
C53 C54 1.551(7) . ?
C63 C64 1.564(6) . ?
C73 C74 1.542(7) . ?
C83 C84 1.507(8) . ?
C93 C94 1.472(7) . ?
C103 C104 1.559(8) . ?
C113 C114 1.547(8) . ?
C123 C124 1.549(7) . ?
C133 C134 1.538(7) . ?
C143 C144 1.584(8) . ?
C153 C154 1.546(7) . ?
C163 C164 1.497(8) . ?
C173 C174 1.492(9) . ?
C183 C184 1.510(7) . ?
O11S C11S 1.254(5) . ?
O12S C11S 1.251(5) . ?
O21S C21S 1.265(6) . ?
O22S C21S 1.216(6) . ?
O31S C31S 1.230(5) . ?
O32S C31S 1.269(6) . ?
O41S C41S 1.245(7) . ?
O42S C41S 1.221(6) . ?
N15S C16S 1.317(6) . ?
N15S C14S 1.340(6) . ?
N25S C26S 1.285(7) . ?
N25S C24S 1.316(8) . ?
N25S Ag2 2.181(6) 2 ?
N35S C36S 1.307(7) . ?
N35S C34S 1.343(7) . ?
C11S C12S 1.501(6) . ?
C12S C13S 1.393(6) . ?
C12S C17S 1.399(6) . ?
C13S C14S 1.365(6) . ?
C16S C17S 1.377(6) . ?
C21S C22S 1.493(9) . ?
C22S C23S 1.385(7) . ?
C22S C27S 1.403(8) . ?
C23S C24S 1.426(10) . ?
C26S C27S 1.364(9) . ?
C31S C32S 1.508(6) . ?
C32S C37S 1.374(6) . ?
C32S C33S 1.395(8) . ?
C33S C34S 1.378(8) . ?
C36S C37S 1.378(7) . ?
C41S C42S 1.523(11) . ?
C42S C47S 1.388(8) . ?
C42S C43S 1.390(8) . ?
C43S C44S 1.382(8) . ?
C44S N45S 1.397(7) . ?
N45S C46S 1.390(8) . ?
C46S C47S 1.393(9) . ?
N1N O12N 1.232(5) . ?
N1N O11N 1.247(5) . ?
N1N O13N 1.255(5) . ?
N2N O21N 1.216(6) . ?
N2N O23N 1.244(7) . ?
N2N O22N 1.261(7) . ?
N3N O31N 1.125(7) . ?
N3N O32N 1.223(7) . ?
N3N O33N 1.241(7) . ?
N4N O42N 1.176(15) . ?
N4N O43N 1.196(14) . ?
N4N O41N 1.210(15) . ?
N5N O53N 1.161(13) . ?
N5N O51N 1.243(12) . ?
N5N O52N 1.287(12) . ?
O25W O31W 1.64(2) . ?
O35W O36W 1.371(14) . ?
