#------------------------------------------------------------------------------
#$Date: 2019-10-28 20:21:38 +0200 (Mon, 28 Oct 2019) $
#$Revision: 220306 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/52/4515203.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_4515203
loop_
_publ_author_name
'Chakraborty, Papri'
'Nag, Abhijit'
'Sugi, Korath Shivan'
'Ahuja, Tripti'
'Varghese, Babu'
'Pradeep, Thalappil'
_publ_section_title
;
 Crystallization of a Supramolecular Coassembly of an Atomically Precise
 Nanoparticle with a Crown Ether
;
_journal_name_full               'ACS Materials Letters'
_journal_page_first              534
_journal_paper_doi               10.1021/acsmaterialslett.9b00352
_journal_year                    2019
_chemical_formula_moiety
;
 0.76508(C204 H186 Ag29 Na3 O21 P4 S24) +
 0.23492(C150 H141 Ag29 Na3 O21 P1 S24) + 1.5(C H4 O)'
;
_chemical_formula_sum            'C192.63 H181.27 Ag29 Na3 O22.5 P3.29 S24'
_chemical_formula_weight         6924.53
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   27.424(5)
_cell_length_b                   27.424(5)
_cell_length_c                   57.155(10)
_cell_measurement_reflns_used    9889
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.9
_cell_measurement_theta_min      3.4
_cell_volume                     37226(12)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3(Bruker, 2016)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Kappa Apex3 CMOS diffractometer'
_diffrn_measurement_method       'ω and φ scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_av_unetI/netI     0.0602
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       66
_diffrn_reflns_limit_l_min       -70
_diffrn_reflns_number            139409
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.061
_diffrn_reflns_theta_min         2.971
_diffrn_source                   'Sealed tube'
_exptl_absorpt_coefficient_mu    2.507
_exptl_absorpt_correction_T_max  0.78
_exptl_absorpt_correction_T_min  0.55
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2012)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.853
_exptl_crystal_description       block
_exptl_crystal_F_000             20078
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         6.738
_refine_diff_density_min         -1.806
_refine_diff_density_rms         0.343
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.412
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     893
_refine_ls_number_reflns         16328
_refine_ls_number_restraints     1264
_refine_ls_restrained_S_all      1.371
_refine_ls_R_factor_all          0.1834
_refine_ls_R_factor_gt           0.1136
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3261
_refine_ls_wR_factor_ref         0.3989
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9156
_reflns_number_total             16328
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            tz9b00352_si_002.cif
_cod_data_source_block           Ag29DB18C6
_cod_original_cell_volume        37225(14)
_cod_original_formula_sum        'C192.63 H181.27 Ag29 Na3 O22.50 P3.29 S24'
_cod_database_code               4515203
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.705
_shelx_estimated_absorpt_t_max   0.885
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5145(7) 0.6746(7) 0.3566(2) 0.058(4) Uani 1 1 d D U . . .
C2 C 0.5351(6) 0.7011(7) 0.3780(3) 0.054(3) Uani 1 1 d D U . . .
H2 H 0.509093 0.698490 0.389148 0.064 Uiso 1 1 calc R U . . .
C3 C 0.5925(6) 0.7317(8) 0.3841(3) 0.060(4) Uani 1 1 d D U . . .
C4 C 0.6290(8) 0.7306(9) 0.3672(3) 0.081(5) Uani 1 1 d D U . . .
H4 H 0.667345 0.749101 0.370540 0.097 Uiso 1 1 calc R U . . .
C5 C 0.6108(7) 0.7032(9) 0.3456(3) 0.083(5) Uani 1 1 d D U . . .
H5 H 0.636508 0.703546 0.334876 0.099 Uiso 1 1 calc R U . . .
C6 C 0.5536(6) 0.6754(9) 0.3404(3) 0.074(4) Uani 1 1 d D U . . .
H6 H 0.541028 0.657244 0.326106 0.089 Uiso 1 1 calc R U . . .
C7 C 0.4949(6) 0.7807(8) 0.3243(3) 0.062(4) Uani 1 1 d D U . . .
C8 C 0.4867(7) 0.7909(7) 0.3473(3) 0.060(4) Uani 1 1 d D U . . .
H8 H 0.450013 0.776484 0.352665 0.072 Uiso 1 1 calc R U . . .
C9 C 0.5310(6) 0.8220(7) 0.3629(3) 0.061(4) Uani 1 1 d D U . . .
C10 C 0.5842(7) 0.8364(8) 0.3553(3) 0.073(5) Uani 1 1 d D U . . .
H10 H 0.614352 0.851359 0.365656 0.088 Uiso 1 1 calc R U . . .
C11 C 0.5922(8) 0.8286(8) 0.3324(3) 0.075(4) Uani 1 1 d D U . . .
H11 H 0.629010 0.844906 0.326878 0.090 Uiso 1 1 calc R U . . .
C12 C 0.5490(6) 0.7980(8) 0.3169(3) 0.070(4) Uani 1 1 d D U . . .
H12 H 0.555989 0.789398 0.301988 0.084 Uiso 1 1 calc R U . . .
C13 C 0.4964(7) 0.6435(7) 0.4903(3) 0.056(3) Uani 1 1 d D U . . .
C14 C 0.5030(8) 0.5978(6) 0.4980(3) 0.065(4) Uani 1 1 d D U . . .
H14 H 0.539016 0.602555 0.498930 0.078 Uiso 1 1 calc R U . . .
C15 C 0.4570(6) 0.5461(8) 0.5043(3) 0.071(4) Uani 1 1 d D U . . .
H15 H 0.463200 0.517590 0.509516 0.086 Uiso 1 1 calc R U . . .
C16 C 0.4013(7) 0.5357(7) 0.5028(3) 0.066(4) Uani 1 1 d D U . . .
H16 H 0.371239 0.500577 0.506788 0.079 Uiso 1 1 calc R U . . .
C17 C 0.3919(7) 0.5789(5) 0.4954(3) 0.051(3) Uani 1 1 d D U . . .
C18 C 0.4398(5) 0.6320(6) 0.4899(3) 0.052(3) Uani 1 1 d D U . . .
H18 H 0.433587 0.661161 0.485707 0.063 Uiso 1 1 calc R U . . .
C19 C 0.5436(6) 0.9061(6) 0.4537(3) 0.051(4) Uani 1 1 d D U . . .
C20 C 0.4898(6) 0.8799(7) 0.4435(3) 0.053(4) Uani 1 1 d D U . . .
H20 H 0.471940 0.841340 0.440701 0.064 Uiso 1 1 calc R U . . .
C21 C 0.4619(7) 0.9090(6) 0.4374(3) 0.060(4) Uani 1 1 d D U . . .
C22 C 0.4869(6) 0.9663(6) 0.4428(3) 0.061(4) Uani 1 1 d D U . . .
H22 H 0.468700 0.986399 0.439524 0.073 Uiso 1 1 calc R U . . .
C23 C 0.5399(7) 0.9924(8) 0.4533(3) 0.073(5) Uani 1 1 d D U . . .
H23 H 0.557138 1.030635 0.456711 0.088 Uiso 1 1 calc R U . . .
C24 C 0.5679(8) 0.9633(6) 0.4590(3) 0.063(4) Uani 1 1 d D U . . .
H24 H 0.602869 0.982080 0.466286 0.076 Uiso 1 1 calc R U . . .
C43 C 0.2662(11) 0.6387(15) 0.5647(5) 0.228(12) Uani 1 1 d D U . . .
C44 C 0.2170(13) 0.6026(12) 0.5532(4) 0.227(12) Uani 1 1 d D U . . .
H44 H 0.218824 0.589243 0.538454 0.272 Uiso 1 1 calc R U . . .
C45 C 0.1647(11) 0.5856(13) 0.5632(5) 0.234(12) Uani 1 1 d D U . . .
H45 H 0.131769 0.561086 0.555282 0.281 Uiso 1 1 calc R U . . .
C46 C 0.1622(12) 0.6057(16) 0.5854(6) 0.247(13) Uani 1 1 d D U . . .
H46 H 0.127513 0.594745 0.592279 0.296 Uiso 1 1 calc R U . . .
C47 C 0.2114(14) 0.6421(16) 0.5971(5) 0.244(13) Uani 1 1 d D U . . .
H47 H 0.209524 0.655363 0.611808 0.293 Uiso 1 1 calc R U . . .
C48 C 0.2642(12) 0.6592(15) 0.5869(5) 0.239(12) Uani 1 1 d D U . . .
H48 H 0.297179 0.683623 0.594769 0.287 Uiso 1 1 calc R U . . .
Ag1 Ag 0.42603(13) 0.55240(19) 0.38350(5) 0.0662(10) Uani 0.765(12) 1 d . U P A
1
P1 P 0.4659(3) 0.4975(3) 0.36402(14) 0.076(2) Uani 0.765(12) 1 d . . P A 1
C25 C 0.4567(10) 0.4954(12) 0.3317(3) 0.135(9) Uani 0.765(12) 1 d D U P A 1
C26 C 0.4022(9) 0.4772(11) 0.3240(4) 0.147(10) Uani 0.765(12) 1 d D U P A 1
H26 H 0.372753 0.464632 0.334718 0.176 Uiso 0.765(12) 1 calc R U P A 1
C27 C 0.3919(9) 0.4779(12) 0.3003(4) 0.133(9) Uani 0.765(12) 1 d D U P A 1
H27 H 0.355497 0.465776 0.295054 0.160 Uiso 0.765(12) 1 calc R U P A 1
C28 C 0.4352(11) 0.4963(14) 0.2844(4) 0.148(10) Uani 0.765(12) 1 d D U P A 1
H28 H 0.427764 0.496484 0.268542 0.177 Uiso 0.765(12) 1 calc R U P A 1
C29 C 0.4899(10) 0.5148(15) 0.2919(4) 0.154(10) Uani 0.765(12) 1 d D U P A 1
H29 H 0.519287 0.527512 0.281134 0.184 Uiso 0.765(12) 1 calc R U P A 1
C30 C 0.5001(9) 0.5139(14) 0.3159(4) 0.151(10) Uani 0.765(12) 1 d D U P A 1
H30 H 0.536505 0.525944 0.321157 0.181 Uiso 0.765(12) 1 calc R U P A 1
C31 C 0.5400(14) 0.5254(14) 0.3692(6) 0.102(7) Uani 0.765(12) 1 d D U P A 1
C32 C 0.5669(14) 0.4984(17) 0.3650(7) 0.127(8) Uani 0.765(12) 1 d D U P A 1
H32 H 0.544608 0.459905 0.362376 0.152 Uiso 0.765(12) 1 calc R U P A 1
C33 C 0.6216(13) 0.5185(16) 0.3641(7) 0.122(8) Uani 0.765(12) 1 d D U P A 1
H33 H 0.636998 0.500383 0.355766 0.147 Uiso 0.765(12) 1 calc R U P A 1
C34 C 0.6529(17) 0.5650(15) 0.3753(7) 0.126(8) Uani 0.765(12) 1 d D U P A 1
H34 H 0.689007 0.575906 0.380593 0.151 Uiso 0.765(12) 1 calc R U P A 1
C35 C 0.6283(13) 0.5948(18) 0.3785(7) 0.121(8) Uani 0.765(12) 1 d D U P A 1
H35 H 0.651311 0.632786 0.382040 0.146 Uiso 0.765(12) 1 calc R U P A 1
C36 C 0.5738(12) 0.5760(15) 0.3772(6) 0.110(7) Uani 0.765(12) 1 d D U P A 1
H36 H 0.559334 0.598659 0.381960 0.132 Uiso 0.765(12) 1 calc R U P A 1
C37 C 0.4287(13) 0.4188(10) 0.3716(5) 0.145(9) Uani 0.765(12) 1 d D U P A 1
C38 C 0.4147(12) 0.3793(11) 0.3559(5) 0.151(10) Uani 0.765(12) 1 d D U P A 1
H38 H 0.422902 0.388926 0.340164 0.181 Uiso 0.765(12) 1 calc R U P A 1
C39 C 0.3892(13) 0.3261(11) 0.3621(5) 0.162(10) Uani 0.765(12) 1 d D U P A 1
H39 H 0.379350 0.298208 0.350889 0.195 Uiso 0.765(12) 1 calc R U P A 1
C40 C 0.3777(14) 0.3124(11) 0.3843(5) 0.154(10) Uani 0.765(12) 1 d D U P A 1
H40 H 0.359685 0.274716 0.388755 0.185 Uiso 0.765(12) 1 calc R U P A 1
C41 C 0.3915(15) 0.3517(12) 0.4000(5) 0.153(10) Uani 0.765(12) 1 d D U P A 1
H41 H 0.383217 0.341919 0.415671 0.184 Uiso 0.765(12) 1 calc R U P A 1
C42 C 0.4171(14) 0.4049(11) 0.3938(5) 0.150(10) Uani 0.765(12) 1 d D U P A 1
H42 H 0.426966 0.432776 0.405100 0.180 Uiso 0.765(12) 1 calc R U P A 1
Ag1' Ag 0.4167(3) 0.5722(5) 0.38822(17) 0.051(3) Uani 0.235(12) 1 d . U P A 2
C49 C 0.3959(13) 0.4083(10) 0.1948(5) 0.132(6) Uani 1 1 d D U . . .
C50 C 0.4008(13) 0.3629(9) 0.1867(6) 0.129(6) Uani 1 1 d D U . . .
H50 H 0.424915 0.367438 0.174423 0.155 Uiso 1 1 calc R U . . .
C51 C 0.3691(13) 0.3110(11) 0.1974(5) 0.130(7) Uani 1 1 d D U . . .
H51 H 0.371727 0.280049 0.192472 0.156 Uiso 1 1 calc R U . . .
C52 C 0.3331(13) 0.3060(11) 0.2158(6) 0.134(7) Uani 1 1 d D U . . .
H52 H 0.313130 0.271114 0.223060 0.160 Uiso 1 1 calc R U . . .
C53 C 0.3249(12) 0.3491(9) 0.2240(5) 0.125(6) Uani 1 1 d D U . . .
H53 H 0.300000 0.344108 0.236072 0.150 Uiso 1 1 calc R U . . .
C54 C 0.3576(13) 0.4009(10) 0.2125(5) 0.130(6) Uani 1 1 d D U . . .
C55 C 0.3099(13) 0.4384(11) 0.2355(6) 0.143(7) Uani 1 1 d D U . . .
H55A H 0.319360 0.429087 0.250613 0.172 Uiso 1 1 calc R U . . .
H55B H 0.272701 0.409128 0.230766 0.172 Uiso 1 1 calc R U . . .
C56 C 0.3158(11) 0.4970(11) 0.2353(6) 0.146(7) Uani 1 1 d D U . . .
H56A H 0.309546 0.505967 0.219598 0.175 Uiso 1 1 calc R U . . .
H56B H 0.287497 0.497095 0.245482 0.175 Uiso 1 1 calc R U . . .
C58 C 0.3799(13) 0.5971(10) 0.2467(6) 0.139(7) Uani 1 1 d D U . . .
H58A H 0.347480 0.593927 0.254946 0.167 Uiso 1 1 calc R U . . .
H58B H 0.382453 0.614335 0.231613 0.167 Uiso 1 1 calc R U . . .
C59 C 0.4329(11) 0.6329(15) 0.2607(5) 0.150(7) Uani 1 1 d D U . . .
H59A H 0.439239 0.670363 0.263890 0.180 Uiso 1 1 calc R U . . .
H59B H 0.434451 0.614966 0.275114 0.180 Uiso 1 1 calc R U . . .
C60 C 0.5260(11) 0.6628(10) 0.2510(5) 0.158(7) Uani 1 1 d D U . . .
C61 C 0.5426(12) 0.6866(9) 0.2729(5) 0.144(7) Uani 1 1 d D U . . .
H61 H 0.515255 0.681235 0.283876 0.173 Uiso 1 1 calc R U . . .
C62 C 0.5990(11) 0.7182(9) 0.2791(6) 0.167(8) Uani 1 1 d D U . . .
H62 H 0.608577 0.733647 0.294012 0.201 Uiso 1 1 calc R U . . .
C63 C 0.6404(14) 0.7272(11) 0.2638(5) 0.166(8) Uani 1 1 d D U . . .
H63 H 0.678128 0.748286 0.267930 0.200 Uiso 1 1 calc R U . . .
C64 C 0.6245(13) 0.7040(11) 0.2419(5) 0.172(8) Uani 1 1 d D U . . .
H64 H 0.652382 0.709909 0.231150 0.206 Uiso 1 1 calc R U . . .
C65 C 0.5688(12) 0.6721(11) 0.2352(4) 0.157(7) Uani 1 1 d D U . . .
C66 C 0.5920(12) 0.6531(14) 0.1973(5) 0.161(8) Uani 1 1 d D U . . .
H66A H 0.614237 0.637683 0.203661 0.193 Uiso 1 1 calc R U . . .
H66B H 0.616668 0.692802 0.194061 0.193 Uiso 1 1 calc R U . . .
C67 C 0.5614(13) 0.6218(9) 0.1752(5) 0.147(7) Uani 1 1 d D U . . .
H67A H 0.542889 0.640374 0.168179 0.176 Uiso 1 1 calc R U . . .
H67B H 0.588428 0.622506 0.164080 0.176 Uiso 1 1 calc R U . . .
C69 C 0.4893(13) 0.5313(10) 0.1595(4) 0.145(7) Uani 1 1 d D U . . .
H69A H 0.515194 0.540240 0.146577 0.175 Uiso 1 1 calc R U . . .
H69B H 0.460308 0.539995 0.155092 0.175 Uiso 1 1 calc R U . . .
C70 C 0.4634(12) 0.4698(10) 0.1666(5) 0.135(7) Uani 1 1 d D U . . .
H70A H 0.446037 0.445174 0.153226 0.162 Uiso 1 1 calc R U . . .
H70B H 0.491595 0.462283 0.173178 0.162 Uiso 1 1 calc R U . . .
O1 O 0.4212(8) 0.4622(7) 0.1841(3) 0.129(5) Uani 1 1 d D U . . .
O2 O 0.3533(8) 0.4498(8) 0.2175(4) 0.128(5) Uani 1 1 d D U . . .
O3 O 0.4702(9) 0.6322(9) 0.2425(4) 0.151(5) Uani 1 1 d D U . . .
O4 O 0.5467(9) 0.6447(10) 0.2138(4) 0.162(6) Uani 1 1 d D U . . .
O5 O 0.3735(9) 0.5408(8) 0.2435(4) 0.135(5) Uani 1 1 d D U . . .
O6 O 0.5192(9) 0.5628(8) 0.1808(3) 0.145(6) Uani 1 1 d D U . . .
Na1 Na 0.4501(6) 0.5459(5) 0.2143(2) 0.142(5) Uani 1 1 d D . . . .
P2 P 0.333333 0.666667 0.5520(2) 0.083(3) Uani 1 3 d S T P . .
S2 S 0.44306(19) 0.62885(18) 0.35200(8) 0.0541(11) Uani 1 1 d . . . . .
S3 S 0.61899(18) 0.7641(2) 0.41109(9) 0.0622(12) Uani 1 1 d . . . . .
S4 S 0.4385(2) 0.7438(2) 0.30476(8) 0.0629(12) Uani 1 1 d . . . . .
S5 S 0.51895(18) 0.84014(18) 0.39096(8) 0.0554(11) Uani 1 1 d . . . . .
S6 S 0.58066(18) 0.87111(19) 0.45841(9) 0.0625(12) Uani 1 1 d . . . . .
S8 S 0.55375(19) 0.7077(2) 0.48376(9) 0.0629(12) Uani 1 1 d . . . . .
S7 S 0.39709(18) 0.87795(17) 0.42214(8) 0.0536(11) Uani 1 1 d . . . . .
S9 S 0.32543(19) 0.57041(18) 0.49512(8) 0.0545(11) Uani 1 1 d . . . . .
Ag4 Ag 0.333333 0.666667 0.41621(3) 0.0346(4) Uani 1 3 d S T P A .
Ag2 Ag 0.38753(6) 0.64696(6) 0.31990(3) 0.0656(4) Uani 1 1 d . . . . .
Ag3 Ag 0.38745(5) 0.65625(5) 0.37691(2) 0.0493(4) Uani 1 1 d . . . . .
Ag5 Ag 0.44227(5) 0.75287(5) 0.40798(2) 0.0479(4) Uani 1 1 d . . . . .
Ag6 Ag 0.56881(6) 0.81394(6) 0.42270(3) 0.0639(4) Uani 1 1 d . . . . .
Ag7 Ag 0.55216(6) 0.70132(7) 0.44085(3) 0.0669(4) Uani 1 1 d . . . . .
Ag8 Ag 0.52082(6) 0.77488(6) 0.47384(3) 0.0626(4) Uani 1 1 d . . . . .
Ag9 Ag 0.35175(5) 0.77482(5) 0.42626(2) 0.0490(4) Uani 1 1 d . . . . .
Ag10 Ag 0.31878(5) 0.59821(5) 0.45439(2) 0.0475(4) Uani 1 1 d . . . . .
Ag11 Ag 0.333333 0.666667 0.50687(6) 0.0736(8) Uani 1 3 d S T P . .
O7' O 0.407(2) 0.577(2) 0.1880(8) 0.162(17) Uani 0.5 1 d D U P B .
O7 O 0.4989(15) 0.5060(16) 0.2318(5) 0.111(10) Uani 0.5 1 d D U P B 3
O8 O 0.501(2) 0.432(2) 0.2273(7) 0.178(17) Uani 0.5 1 d D U P C 4
C71 C 0.557(2) 0.461(3) 0.2204(10) 0.156(19) Uani 0.5 1 d D U P C 4
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
C2 C1 C6 117.6(15) . .
C2 C1 S2 121.9(10) . .
C6 C1 S2 119.0(13) . .
C1 C2 C3 124.7(14) . .
C1 C2 H2 117.7 . .
C3 C2 H2 117.7 . .
C4 C3 C2 114.6(16) . .
C4 C3 S3 119.9(12) . .
C2 C3 S3 125.2(11) . .
C3 C4 C5 123.4(17) . .
C3 C4 H4 118.3 . .
C5 C4 H4 118.3 . .
C6 C5 C4 118.8(17) . .
C6 C5 H5 120.6 . .
C4 C5 H5 120.6 . .
C5 C6 C1 120.7(17) . .
C5 C6 H6 119.6 . .
C1 C6 H6 119.6 . .
C12 C7 C8 118.5(16) . .
C12 C7 S4 119.1(12) . .
C8 C7 S4 122.3(11) . .
C7 C8 C9 123.2(16) . .
C7 C8 H8 118.4 . .
C9 C8 H8 118.4 . .
C10 C9 C8 116.6(16) . .
C10 C9 S5 121.9(12) . .
C8 C9 S5 121.5(12) . .
C11 C10 C9 119.3(17) . .
C11 C10 H10 120.4 . .
C9 C10 H10 120.4 . .
C10 C11 C12 123.7(17) . .
C10 C11 H11 118.1 . .
C12 C11 H11 118.1 . .
C11 C12 C7 117.5(16) . .
C11 C12 H12 121.2 . .
C7 C12 H12 121.2 . .
C18 C13 C14 114.5(14) . .
C18 C13 S8 124.3(10) . .
C14 C13 S8 121.1(12) . .
C15 C14 C13 121.7(16) . .
C15 C14 H14 119.1 . .
C13 C14 H14 119.1 . .
C14 C15 C16 122.1(17) . .
C14 C15 H15 119.0 . .
C16 C15 H15 119.0 . .
C17 C16 C15 119.1(16) . .
C17 C16 H16 120.5 . .
C15 C16 H16 120.5 . .
C16 C17 C18 117.8(15) . .
C16 C17 S9 121.4(12) . .
C18 C17 S9 120.6(10) . .
C13 C18 C17 124.8(14) . .
C13 C18 H18 117.6 . .
C17 C18 H18 117.6 . .
C24 C19 C20 117.1(15) . .
C24 C19 S6 120.4(11) . .
C20 C19 S6 122.5(11) . .
C21 C20 C19 123.1(14) . .
C21 C20 H20 118.5 . .
C19 C20 H20 118.5 . .
C20 C21 C22 118.9(15) . .
C20 C21 S7 123.6(10) . .
C22 C21 S7 117.4(11) . .
C23 C22 C21 118.2(15) . .
C23 C22 H22 120.9 . .
C21 C22 H22 120.9 . .
C22 C23 C24 122.5(16) . .
C22 C23 H23 118.8 . .
C24 C23 H23 118.8 . .
C23 C24 C19 120.1(16) . .
C23 C24 H24 119.9 . .
C19 C24 H24 119.9 . .
C44 C43 C48 119.9(12) . .
C44 C43 P2 124(2) . .
C48 C43 P2 116(2) . .
C43 C44 C45 121.4(12) . .
C43 C44 H44 119.3 . .
C45 C44 H44 119.3 . .
C44 C45 C46 119.1(12) . .
C44 C45 H45 120.5 . .
C46 C45 H45 120.5 . .
C47 C46 C45 120.0(12) . .
C47 C46 H46 120.0 . .
C45 C46 H46 120.0 . .
C46 C47 C48 120.8(12) . .
C46 C47 H47 119.6 . .
C48 C47 H47 119.6 . .
C43 C48 C47 118.9(12) . .
C43 C48 H48 120.6 . .
C47 C48 H48 120.6 . .
P1 Ag1 S5 105.8(3) . 3_565
P1 Ag1 S2 102.6(2) . .
S5 Ag1 S2 113.9(2) 3_565 .
P1 Ag1 S7 112.3(3) . 3_565
S5 Ag1 S7 112.71(19) 3_565 3_565
S2 Ag1 S7 109.1(2) . 3_565
C31 P1 C25 106.5(14) . .
C31 P1 C37 106.9(14) . .
C25 P1 C37 101.7(13) . .
C31 P1 Ag1 114.1(10) . .
C25 P1 Ag1 111.4(9) . .
C37 P1 Ag1 115.2(10) . .
C30 C25 C26 120.2(12) . .
C30 C25 P1 124.2(15) . .
C26 C25 P1 115.4(15) . .
C27 C26 C25 119.5(11) . .
C27 C26 H26 120.2 . .
C25 C26 H26 120.2 . .
C28 C27 C26 120.5(12) . .
C28 C27 H27 119.8 . .
C26 C27 H27 119.8 . .
C27 C28 C29 120.6(12) . .
C27 C28 H28 119.7 . .
C29 C28 H28 119.7 . .
C28 C29 C30 118.8(11) . .
C28 C29 H29 120.6 . .
C30 C29 H29 120.6 . .
C25 C30 C29 120.4(12) . .
C25 C30 H30 119.8 . .
C29 C30 H30 119.8 . .
C32 C31 C36 111(4) . .
C32 C31 P1 125(3) . .
C36 C31 P1 124(2) . .
C31 C32 C33 128(4) . .
C31 C32 H32 115.9 . .
C33 C32 H32 115.9 . .
C34 C33 C32 117(4) . .
C34 C33 H33 121.6 . .
C32 C33 H33 121.6 . .
C33 C34 C35 113(4) . .
C33 C34 H34 123.6 . .
C35 C34 H34 123.6 . .
C34 C35 C36 126(4) . .
C34 C35 H35 117.1 . .
C36 C35 H35 117.1 . .
C31 C36 C35 120(4) . .
C31 C36 H36 120.0 . .
C35 C36 H36 120.0 . .
C38 C37 C42 119.6(11) . .
C38 C37 P1 123.0(18) . .
C42 C37 P1 117.4(18) . .
C39 C38 C37 120.2(11) . .
C39 C38 H38 119.9 . .
C37 C38 H38 119.9 . .
C38 C39 C40 120.0(11) . .
C38 C39 H39 120.0 . .
C40 C39 H39 120.0 . .
C41 C40 C39 119.8(11) . .
C41 C40 H40 120.1 . .
C39 C40 H40 120.1 . .
C40 C41 C42 120.4(11) . .
C40 C41 H41 119.8 . .
C42 C41 H41 119.8 . .
C41 C42 C37 119.9(11) . .
C41 C42 H42 120.1 . .
C37 C42 H42 120.1 . .
S7 Ag1' S2 120.7(3) 3_565 .
S7 Ag1' S5 119.4(3) 3_565 3_565
S2 Ag1' S5 119.9(3) . 3_565
S7 Ag1' Ag3 110.0(5) 3_565 .
S2 Ag1' Ag3 54.3(2) . .
S5 Ag1' Ag3 103.7(4) 3_565 .
S7 Ag1' Ag9 53.2(3) 3_565 3_565
S2 Ag1' Ag9 106.1(4) . 3_565
S5 Ag1' Ag9 108.3(4) 3_565 3_565
Ag3 Ag1' Ag9 62.6(3) . 3_565
S7 Ag1' Ag5 103.4(4) 3_565 3_565
S2 Ag1' Ag5 111.3(4) . 3_565
S5 Ag1' Ag5 52.4(2) 3_565 3_565
Ag3 Ag1' Ag5 62.7(3) . 3_565
Ag9 Ag1' Ag5 61.4(3) 3_565 3_565
C50 C49 C54 121(2) . .
C50 C49 O1 125(2) . .
C54 C49 O1 113.9(18) . .
C51 C50 C49 119(2) . .
C51 C50 H50 120.6 . .
C49 C50 H50 120.6 . .
C50 C51 C52 119(2) . .
C50 C51 H51 120.7 . .
C52 C51 H51 120.7 . .
C53 C52 C51 125(3) . .
C53 C52 H52 117.4 . .
C51 C52 H52 117.4 . .
C52 C53 C54 114(2) . .
C52 C53 H53 123.0 . .
C54 C53 H53 123.0 . .
C49 C54 C53 122.6(19) . .
C49 C54 O2 114.5(19) . .
C53 C54 O2 122.8(19) . .
O2 C55 C56 97(2) . .
O2 C55 H55A 112.4 . .
C56 C55 H55A 112.4 . .
O2 C55 H55B 112.4 . .
C56 C55 H55B 112.4 . .
H55A C55 H55B 109.9 . .
O5 C56 C55 111(2) . .
O5 C56 H56A 109.5 . .
C55 C56 H56A 109.5 . .
O5 C56 H56B 109.5 . .
C55 C56 H56B 109.5 . .
H56A C56 H56B 108.1 . .
O5 C58 C59 108(2) . .
O5 C58 H58A 110.0 . .
C59 C58 H58A 110.0 . .
O5 C58 H58B 110.0 . .
C59 C58 H58B 110.0 . .
H58A C58 H58B 108.4 . .
O3 C59 C58 94(2) . .
O3 C59 H59A 113.0 . .
C58 C59 H59A 113.0 . .
O3 C59 H59B 113.0 . .
C58 C59 H59B 113.0 . .
H59A C59 H59B 110.4 . .
C61 C60 C65 117(2) . .
C61 C60 O3 127(2) . .
C65 C60 O3 116(2) . .
C60 C61 C62 122(3) . .
C60 C61 H61 119.1 . .
C62 C61 H61 119.1 . .
C63 C62 C61 121(3) . .
C63 C62 H62 119.3 . .
C61 C62 H62 119.3 . .
C62 C63 C64 118(3) . .
C62 C63 H63 121.2 . .
C64 C63 H63 121.2 . .
C63 C64 C65 123(3) . .
C63 C64 H64 118.6 . .
C65 C64 H64 118.6 . .
C64 C65 C60 120(2) . .
C64 C65 O4 129(2) . .
C60 C65 O4 111(2) . .
O4 C66 C67 105(2) . .
O4 C66 H66A 110.8 . .
C67 C66 H66A 110.8 . .
O4 C66 H66B 110.8 . .
C67 C66 H66B 110.8 . .
H66A C66 H66B 108.8 . .
O6 C67 C66 110(2) . .
O6 C67 H67A 109.6 . .
C66 C67 H67A 109.6 . .
O6 C67 H67B 109.6 . .
C66 C67 H67B 109.6 . .
H67A C67 H67B 108.1 . .
O6 C69 C70 104(2) . .
O6 C69 H69A 110.9 . .
C70 C69 H69A 110.9 . .
O6 C69 H69B 110.9 . .
C70 C69 H69B 110.9 . .
H69A C69 H69B 108.9 . .
O1 C70 C69 104(2) . .
O1 C70 H70A 111.0 . .
C69 C70 H70A 111.0 . .
O1 C70 H70B 111.0 . .
C69 C70 H70B 111.0 . .
H70A C70 H70B 109.0 . .
C49 O1 C70 112.5(18) . .
C49 O1 Na1 113.6(15) . .
C70 O1 Na1 116.7(15) . .
C54 O2 C55 112.0(19) . .
C54 O2 Na1 114.0(15) . .
C55 O2 Na1 123.8(16) . .
C60 O3 C59 107(2) . .
C60 O3 Na1 114.6(16) . .
C59 O3 Na1 127.0(18) . .
C65 O4 C66 111(2) . .
C65 O4 Na1 118.4(16) . .
C66 O4 Na1 119.4(16) . .
C58 O5 C56 114(2) . .
C58 O5 Na1 110.4(17) . .
C56 O5 Na1 109.7(16) . .
C69 O6 C67 111(2) . .
C69 O6 Na1 111.2(17) . .
C67 O6 Na1 117.4(16) . .
O7' Na1 O7 165.2(17) . .
O7' Na1 O6 85.4(16) . .
O7 Na1 O6 82.0(11) . .
O7' Na1 O5 83.7(15) . .
O7 Na1 O5 109.3(11) . .
O6 Na1 O5 168.7(11) . .
O7' Na1 O2 88.4(15) . .
O7 Na1 O2 91.5(12) . .
O6 Na1 O2 120.9(7) . .
O5 Na1 O2 61.8(6) . .
O7' Na1 O1 85.1(15) . .
O7 Na1 O1 82.3(11) . .
O6 Na1 O1 63.0(6) . .
O5 Na1 O1 118.8(7) . .
O2 Na1 O1 57.9(6) . .
O7' Na1 O4 92.8(16) . .
O7 Na1 O4 88.3(12) . .
O6 Na1 O4 62.8(6) . .
O5 Na1 O4 114.8(7) . .
O2 Na1 O4 176.3(8) . .
O1 Na1 O4 125.7(7) . .
O7' Na1 O3 88.8(15) . .
O7 Na1 O3 104.0(12) . .
O6 Na1 O3 118.8(8) . .
O5 Na1 O3 58.2(6) . .
O2 Na1 O3 119.8(7) . .
O1 Na1 O3 173.5(10) . .
O4 Na1 O3 56.7(7) . .
C43 P2 C43 104.2(13) . 3_565
C43 P2 C43 104.2(13) . 2_665
C43 P2 C43 104.2(13) 3_565 2_665
C43 P2 Ag11 114.4(11) . .
C43 P2 Ag11 114.4(11) 3_565 .
C43 P2 Ag11 114.4(11) 2_665 .
C1 S2 Ag3 109.7(5) . .
C1 S2 Ag1' 101.3(6) . .
Ag3 S2 Ag1' 71.1(4) . .
C1 S2 Ag2 121.9(6) . .
Ag3 S2 Ag2 80.65(14) . .
Ag1' S2 Ag2 134.5(3) . .
C1 S2 Ag1 99.1(6) . .
Ag3 S2 Ag1 87.55(19) . .
Ag2 S2 Ag1 138.9(2) . .
C3 S3 Ag7 106.2(5) . .
C3 S3 Ag6 108.4(5) . .
Ag7 S3 Ag6 77.02(15) . .
C7 S4 Ag2 110.2(5) . 2_665
C7 S4 Ag2 105.0(6) . .
Ag2 S4 Ag2 79.64(15) 2_665 .
C9 S5 Ag5 106.0(5) . .
C9 S5 Ag1' 106.4(5) . 2_665
Ag5 S5 Ag1' 72.0(4) . 2_665
C9 S5 Ag1 103.5(5) . 2_665
Ag5 S5 Ag1 88.9(2) . 2_665
C9 S5 Ag6 111.2(6) . .
Ag5 S5 Ag6 76.45(13) . .
Ag1' S5 Ag6 136.0(3) 2_665 .
Ag1 S5 Ag6 144.8(2) 2_665 .
C19 S6 Ag8 112.8(5) . .
C19 S6 Ag6 107.0(5) . .
Ag8 S6 Ag6 79.20(15) . .
C13 S8 Ag7 99.8(6) . .
C13 S8 Ag8 108.9(5) . .
Ag7 S8 Ag8 79.94(15) . .
C21 S7 Ag1' 96.8(6) . 2_665
C21 S7 Ag9 108.3(5) . .
Ag1' S7 Ag9 73.7(4) 2_665 .
C21 S7 Ag7 125.1(6) . 2_665
Ag1' S7 Ag7 134.8(3) 2_665 2_665
Ag9 S7 Ag7 77.31(13) . 2_665
C21 S7 Ag1 90.6(6) . 2_665
Ag9 S7 Ag1 90.19(19) . 2_665
Ag7 S7 Ag1 144.2(2) 2_665 2_665
C17 S9 Ag10 101.7(5) . .
C17 S9 Ag8 112.0(5) . 3_565
Ag10 S9 Ag8 73.73(14) . 3_565
C17 S9 Ag11 108.2(5) . .
Ag10 S9 Ag11 85.00(15) . .
Ag8 S9 Ag11 137.38(18) 3_565 .
Ag5 Ag4 Ag5 117.18(3) . 2_665
Ag5 Ag4 Ag5 117.17(3) . 3_565
Ag5 Ag4 Ag5 117.17(3) 2_665 3_565
Ag5 Ag4 Ag10 115.83(5) . 3_565
Ag5 Ag4 Ag10 61.65(4) 2_665 3_565
Ag5 Ag4 Ag10 116.11(5) 3_565 3_565
Ag5 Ag4 Ag10 61.65(4) . 2_665
Ag5 Ag4 Ag10 116.11(5) 2_665 2_665
Ag5 Ag4 Ag10 115.83(5) 3_565 2_665
Ag10 Ag4 Ag10 64.65(6) 3_565 2_665
Ag5 Ag4 Ag10 116.10(5) . .
Ag5 Ag4 Ag10 115.83(5) 2_665 .
Ag5 Ag4 Ag10 61.66(4) 3_565 .
Ag10 Ag4 Ag10 64.65(6) 3_565 .
Ag10 Ag4 Ag10 64.65(6) 2_665 .
Ag5 Ag4 Ag3 116.41(7) . 3_565
Ag5 Ag4 Ag3 66.19(4) 2_665 3_565
Ag5 Ag4 Ag3 63.12(4) 3_565 3_565
Ag10 Ag4 Ag3 117.96(4) 3_565 3_565
Ag10 Ag4 Ag3 177.38(5) 2_665 3_565
Ag10 Ag4 Ag3 115.84(4) . 3_565
Ag5 Ag4 Ag3 66.20(4) . 2_665
Ag5 Ag4 Ag3 63.11(4) 2_665 2_665
Ag5 Ag4 Ag3 116.40(7) 3_565 2_665
Ag10 Ag4 Ag3 115.84(4) 3_565 2_665
Ag10 Ag4 Ag3 117.96(4) 2_665 2_665
Ag10 Ag4 Ag3 177.38(5) . 2_665
Ag3 Ag4 Ag3 61.57(6) 3_565 2_665
Ag5 Ag4 Ag3 63.11(4) . .
Ag5 Ag4 Ag3 116.40(7) 2_665 .
Ag5 Ag4 Ag3 66.19(4) 3_565 .
Ag10 Ag4 Ag3 177.38(5) 3_565 .
Ag10 Ag4 Ag3 115.84(4) 2_665 .
Ag10 Ag4 Ag3 117.96(4) . .
Ag3 Ag4 Ag3 61.57(6) 3_565 .
Ag3 Ag4 Ag3 61.57(6) 2_665 .
Ag5 Ag4 Ag9 65.52(4) . .
Ag5 Ag4 Ag9 61.31(3) 2_665 .
Ag5 Ag4 Ag9 177.00(6) 3_565 .
Ag10 Ag4 Ag9 60.95(4) 3_565 .
Ag10 Ag4 Ag9 63.89(4) 2_665 .
Ag10 Ag4 Ag9 116.28(7) . .
Ag3 Ag4 Ag9 117.30(5) 3_565 .
Ag3 Ag4 Ag9 65.58(4) 2_665 .
Ag3 Ag4 Ag9 116.74(5) . .
Ag5 Ag4 Ag9 177.00(6) . 2_665
Ag5 Ag4 Ag9 65.52(4) 2_665 2_665
Ag5 Ag4 Ag9 61.31(3) 3_565 2_665
Ag10 Ag4 Ag9 63.89(4) 3_565 2_665
Ag10 Ag4 Ag9 116.28(7) 2_665 2_665
Ag10 Ag4 Ag9 60.95(4) . 2_665
Ag3 Ag4 Ag9 65.58(4) 3_565 2_665
Ag3 Ag4 Ag9 116.74(5) 2_665 2_665
Ag3 Ag4 Ag9 117.31(5) . 2_665
Ag9 Ag4 Ag9 115.93(3) . 2_665
Ag5 Ag4 Ag9 61.31(3) . 3_565
Ag5 Ag4 Ag9 177.00(6) 2_665 3_565
Ag5 Ag4 Ag9 65.52(4) 3_565 3_565
Ag10 Ag4 Ag9 116.28(7) 3_565 3_565
Ag10 Ag4 Ag9 60.95(4) 2_665 3_565
Ag10 Ag4 Ag9 63.89(4) . 3_565
Ag3 Ag4 Ag9 116.74(5) 3_565 3_565
Ag3 Ag4 Ag9 117.31(5) 2_665 3_565
Ag3 Ag4 Ag9 65.58(4) . 3_565
Ag9 Ag4 Ag9 115.92(3) . 3_565
Ag9 Ag4 Ag9 115.92(3) 2_665 3_565
S4 Ag2 S4 131.4(2) 3_565 .
S4 Ag2 S2 114.47(16) 3_565 .
S4 Ag2 S2 112.71(16) . .
S4 Ag2 Ag2 50.19(13) 3_565 3_565
S4 Ag2 Ag2 105.71(13) . 3_565
S2 Ag2 Ag2 128.17(11) . 3_565
S4 Ag2 Ag2 105.73(13) 3_565 2_665
S4 Ag2 Ag2 50.17(13) . 2_665
S2 Ag2 Ag2 127.04(11) . 2_665
Ag2 Ag2 Ag2 60.0 3_565 2_665
S4 Ag2 Ag3 112.92(13) 3_565 .
S4 Ag2 Ag3 106.80(12) . .
S2 Ag2 Ag3 48.01(10) . .
Ag2 Ag2 Ag3 88.82(3) 3_565 .
Ag2 Ag2 Ag3 85.66(3) 2_665 .
S2 Ag3 Ag4 160.20(12) . .
S2 Ag3 Ag3 128.52(12) . 3_565
Ag4 Ag3 Ag3 59.21(3) . 3_565
S2 Ag3 Ag3 140.17(11) . 2_665
Ag4 Ag3 Ag3 59.21(3) . 2_665
Ag3 Ag3 Ag3 60.0 3_565 2_665
S2 Ag3 Ag1' 54.6(2) . .
Ag4 Ag3 Ag1' 106.2(2) . .
Ag3 Ag3 Ag1' 112.44(16) 3_565 .
Ag3 Ag3 Ag1' 165.3(2) 2_665 .
S2 Ag3 Ag5 120.96(12) . .
Ag4 Ag3 Ag5 58.19(4) . .
Ag3 Ag3 Ag5 110.15(4) 3_565 .
Ag3 Ag3 Ag5 63.57(5) 2_665 .
Ag1' Ag3 Ag5 111.7(2) . .
S2 Ag3 Ag9 104.18(12) . 3_565
Ag4 Ag3 Ag9 57.58(4) . 3_565
Ag3 Ag3 Ag9 108.14(4) 3_565 3_565
Ag3 Ag3 Ag9 108.62(4) 2_665 3_565
Ag5 Ag3 Ag9 57.22(4) . 3_565
S2 Ag3 Ag5 109.10(11) . 3_565
Ag4 Ag3 Ag5 56.67(3) . 3_565
Ag3 Ag3 Ag5 59.12(5) 3_565 3_565
Ag3 Ag3 Ag5 106.67(4) 2_665 3_565
Ag5 Ag3 Ag5 105.46(6) . 3_565
Ag9 Ag3 Ag5 59.73(4) 3_565 3_565
S2 Ag3 Ag2 51.34(11) . .
Ag4 Ag3 Ag2 146.44(6) . .
Ag3 Ag3 Ag2 90.71(3) 3_565 .
Ag3 Ag3 Ag2 94.19(3) 2_665 .
Ag1' Ag3 Ag2 98.7(2) . .
Ag5 Ag3 Ag2 131.29(6) . .
Ag9 Ag3 Ag2 155.51(5) 3_565 .
Ag5 Ag3 Ag2 122.78(5) 3_565 .
S5 Ag5 Ag4 158.30(12) . .
S5 Ag5 Ag10 133.04(12) . 2_665
Ag4 Ag5 Ag10 59.25(5) . 2_665
S5 Ag5 Ag9 139.71(12) . 3_565
Ag4 Ag5 Ag9 60.01(3) . 3_565
Ag10 Ag5 Ag9 59.74(4) 2_665 3_565
S5 Ag5 Ag3 116.47(12) . .
Ag4 Ag5 Ag3 58.69(5) . .
Ag10 Ag5 Ag3 110.05(5) 2_665 .
Ag9 Ag5 Ag3 63.55(5) 3_565 .
S5 Ag5 Ag1' 55.6(3) . 2_665
Ag4 Ag5 Ag1' 104.1(2) . 2_665
Ag10 Ag5 Ag1' 115.08(19) 2_665 2_665
Ag9 Ag5 Ag1' 164.1(2) 3_565 2_665
Ag3 Ag5 Ag1' 108.27(16) . 2_665
S5 Ag5 Ag9 109.32(12) . .
Ag4 Ag5 Ag9 57.85(3) . .
Ag10 Ag5 Ag9 60.45(4) 2_665 .
Ag9 Ag5 Ag9 108.55(6) 3_565 .
Ag3 Ag5 Ag9 106.94(5) . .
Ag1' Ag5 Ag9 59.3(2) 2_665 .
S5 Ag5 Ag3 101.73(12) . 2_665
Ag4 Ag5 Ag3 57.14(4) . 2_665
Ag10 Ag5 Ag3 108.34(5) 2_665 2_665
Ag9 Ag5 Ag3 108.67(5) 3_565 2_665
Ag3 Ag5 Ag3 57.31(5) . 2_665
Ag1' Ag5 Ag3 57.2(2) 2_665 2_665
Ag9 Ag5 Ag3 60.06(4) . 2_665
S5 Ag5 Ag6 53.48(11) . .
Ag4 Ag5 Ag6 147.93(6) . .
Ag10 Ag5 Ag6 94.12(5) 2_665 .
Ag9 Ag5 Ag6 92.15(5) 3_565 .
Ag3 Ag5 Ag6 125.68(6) . .
Ag1' Ag5 Ag6 103.5(2) 2_665 .
Ag9 Ag5 Ag6 127.17(6) . .
Ag3 Ag5 Ag6 154.87(6) 2_665 .
S3 Ag6 S6 129.43(17) . .
S3 Ag6 S5 119.02(17) . .
S6 Ag6 S5 108.72(16) . .
S3 Ag6 Ag7 51.45(12) . .
S6 Ag6 Ag7 105.26(13) . .
S5 Ag6 Ag7 133.24(11) . .
S3 Ag6 Ag5 114.14(12) . .
S6 Ag6 Ag5 108.57(11) . .
S5 Ag6 Ag5 50.07(10) . .
Ag7 Ag6 Ag5 89.15(5) . .
S3 Ag6 Ag8 108.30(13) . .
S6 Ag6 Ag8 50.08(12) . .
S5 Ag6 Ag8 123.71(12) . .
Ag7 Ag6 Ag8 61.29(5) . .
Ag5 Ag6 Ag8 84.54(5) . .
S8 Ag7 S3 131.23(18) . .
S8 Ag7 S7 117.04(17) . 3_565
S3 Ag7 S7 110.31(17) . 3_565
S8 Ag7 Ag6 106.09(13) . .
S3 Ag7 Ag6 51.54(12) . .
S7 Ag7 Ag6 123.59(11) 3_565 .
S8 Ag7 Ag8 50.46(12) . .
S3 Ag7 Ag8 107.98(13) . .
S7 Ag7 Ag8 126.30(11) 3_565 .
Ag6 Ag7 Ag8 60.85(5) . .
S8 Ag7 Ag9 105.62(12) . 3_565
S3 Ag7 Ag9 113.97(12) . 3_565
S7 Ag7 Ag9 48.91(9) 3_565 3_565
Ag6 Ag7 Ag9 86.76(5) . 3_565
Ag8 Ag7 Ag9 81.61(5) . 3_565
S6 Ag8 S8 125.37(17) . .
S6 Ag8 S9 116.71(16) . 2_665
S8 Ag8 S9 114.10(16) . 2_665
S6 Ag8 Ag10 111.70(11) . 2_665
S8 Ag8 Ag10 114.75(12) . 2_665
S9 Ag8 Ag10 51.65(10) 2_665 2_665
S6 Ag8 Ag6 50.73(13) . .
S8 Ag8 Ag6 102.57(13) . .
S9 Ag8 Ag6 134.53(12) 2_665 .
Ag10 Ag8 Ag6 89.48(5) 2_665 .
S6 Ag8 Ag7 102.72(14) . .
S8 Ag8 Ag7 49.60(13) . .
S9 Ag8 Ag7 133.35(11) 2_665 .
Ag10 Ag8 Ag7 92.12(5) 2_665 .
Ag6 Ag8 Ag7 57.86(5) . .
S7 Ag9 Ag4 155.92(12) . .
S7 Ag9 Ag10 144.76(12) . 3_565
Ag4 Ag9 Ag10 58.94(4) . 3_565
S7 Ag9 Ag5 129.19(12) . 2_665
Ag4 Ag9 Ag5 58.68(3) . 2_665
Ag10 Ag9 Ag5 60.08(4) 3_565 2_665
S7 Ag9 Ag10 122.33(12) . 2_665
Ag4 Ag9 Ag10 57.50(4) . 2_665
Ag10 Ag9 Ag10 61.67(6) 3_565 2_665
Ag5 Ag9 Ag10 108.45(5) 2_665 2_665
S7 Ag9 Ag1' 53.2(2) . 2_665
Ag4 Ag9 Ag1' 103.21(19) . 2_665
Ag10 Ag9 Ag1' 162.08(19) 3_565 2_665
Ag5 Ag9 Ag1' 110.92(16) 2_665 2_665
Ag10 Ag9 Ag1' 111.76(15) 2_665 2_665
S7 Ag9 Ag5 101.67(11) . .
Ag4 Ag9 Ag5 56.63(3) . .
Ag10 Ag9 Ag5 106.79(5) 3_565 .
Ag5 Ag9 Ag5 107.45(6) 2_665 .
Ag10 Ag9 Ag5 56.80(4) 2_665 .
Ag1' Ag9 Ag5 59.33(16) 2_665 .
S7 Ag9 Ag3 105.03(12) . 2_665
Ag4 Ag9 Ag3 56.84(5) . 2_665
Ag10 Ag9 Ag3 106.93(5) 3_565 2_665
Ag5 Ag9 Ag3 59.23(4) 2_665 2_665
Ag10 Ag9 Ag3 105.55(5) 2_665 2_665
Ag1' Ag9 Ag3 57.24(18) 2_665 2_665
Ag5 Ag9 Ag3 60.21(4) . 2_665
S7 Ag9 Ag7 53.79(11) . 2_665
Ag4 Ag9 Ag7 147.48(5) . 2_665
Ag10 Ag9 Ag7 95.88(5) 3_565 2_665
Ag5 Ag9 Ag7 91.86(5) 2_665 2_665
Ag10 Ag9 Ag7 131.69(6) 2_665 2_665
Ag1' Ag9 Ag7 100.04(18) 2_665 2_665
Ag5 Ag9 Ag7 155.43(6) . 2_665
Ag3 Ag9 Ag7 122.31(5) 2_665 2_665
S9 Ag10 Ag4 159.54(12) . .
S9 Ag10 Ag9 131.83(12) . 2_665
Ag4 Ag10 Ag9 60.11(4) . 2_665
S9 Ag10 Ag5 139.34(12) . 3_565
Ag4 Ag10 Ag5 59.09(4) . 3_565
Ag9 Ag10 Ag5 60.19(4) 2_665 3_565
S9 Ag10 Ag9 116.74(11) . 3_565
Ag4 Ag10 Ag9 58.61(3) . 3_565
Ag9 Ag10 Ag9 110.74(7) 2_665 3_565
Ag5 Ag10 Ag9 62.75(4) 3_565 3_565
S9 Ag10 Ag10 110.25(10) . 3_565
Ag4 Ag10 Ag10 57.67(3) . 3_565
Ag9 Ag10 Ag10 61.20(5) 2_665 3_565
Ag5 Ag10 Ag10 108.17(4) 3_565 3_565
Ag9 Ag10 Ag10 106.42(4) 3_565 3_565
S9 Ag10 Ag10 102.39(11) . 2_665
Ag4 Ag10 Ag10 57.67(3) . 2_665
Ag9 Ag10 Ag10 109.70(4) 2_665 2_665
Ag5 Ag10 Ag10 107.93(4) 3_565 2_665
Ag9 Ag10 Ag10 57.14(5) 3_565 2_665
Ag10 Ag10 Ag10 60.0 3_565 2_665
S9 Ag10 Ag8 54.62(11) . 3_565
Ag4 Ag10 Ag8 145.41(6) . 3_565
Ag9 Ag10 Ag8 90.22(5) 2_665 3_565
Ag5 Ag10 Ag8 91.85(5) 3_565 3_565
Ag9 Ag10 Ag8 127.41(6) 3_565 3_565
Ag10 Ag10 Ag8 125.64(6) 3_565 3_565
Ag10 Ag10 Ag8 156.92(4) 2_665 3_565
P2 Ag11 S9 104.82(12) . 3_565
P2 Ag11 S9 104.82(12) . 2_665
S9 Ag11 S9 113.69(10) 3_565 2_665
P2 Ag11 S9 104.82(12) . .
S9 Ag11 S9 113.70(10) 3_565 .
S9 Ag11 S9 113.70(10) 2_665 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.391(14) .
C1 C6 1.410(14) .
C1 S2 1.738(18) .
C2 C3 1.408(14) .
C2 H2 0.9300 .
C3 C4 1.401(14) .
C3 S3 1.747(19) .
C4 C5 1.404(14) .
C4 H4 0.9300 .
C5 C6 1.390(14) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C12 1.379(13) .
C7 C8 1.385(14) .
C7 S4 1.761(19) .
C8 C9 1.399(14) .
C8 H8 0.9300 .
C9 C10 1.377(14) .
C9 S5 1.761(19) .
C10 C11 1.360(14) .
C10 H10 0.9300 .
C11 C12 1.379(14) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C18 1.420(13) .
C13 C14 1.424(13) .
C13 S8 1.715(17) .
C14 C15 1.393(14) .
C14 H14 0.9300 .
C15 C16 1.407(14) .
C15 H15 0.9300 .
C16 C17 1.398(13) .
C16 H16 0.9300 .
C17 C18 1.426(14) .
C17 S9 1.719(17) .
C18 H18 0.9300 .
C19 C24 1.397(13) .
C19 C20 1.403(13) .
C19 S6 1.733(17) .
C20 C21 1.399(13) .
C20 H20 0.9300 .
C21 C22 1.400(13) .
C21 S7 1.769(17) .
C22 C23 1.394(13) .
C22 H22 0.9300 .
C23 C24 1.394(14) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C43 C44 1.376(17) .
C43 C48 1.401(17) .
C43 P2 1.76(2) .
C44 C45 1.392(17) .
C44 H44 0.9300 .
C45 C46 1.397(17) .
C45 H45 0.9300 .
C46 C47 1.384(17) .
C46 H46 0.9300 .
C47 C48 1.405(17) .
C47 H47 0.9300 .
C48 H48 0.9300 .
Ag1 P1 2.519(10) .
Ag1 S5 2.579(5) 3_565
Ag1 S2 2.622(6) .
Ag1 S7 2.641(6) 3_565
P1 C31 1.80(3) .
P1 C25 1.86(2) .
P1 C37 1.92(2) .
C25 C30 1.374(17) .
C25 C26 1.389(17) .
C26 C27 1.389(17) .
C26 H26 0.9300 .
C27 C28 1.372(17) .
C27 H27 0.9300 .
C28 C29 1.391(17) .
C28 H28 0.9300 .
C29 C30 1.405(17) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.303(19) .
C31 C36 1.306(19) .
C32 C33 1.313(19) .
C32 H32 0.9300 .
C33 C34 1.295(19) .
C33 H33 0.9300 .
C34 C35 1.309(19) .
C34 H34 0.9300 .
C35 C36 1.316(19) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 C38 1.312(18) .
C37 C42 1.316(18) .
C38 C39 1.312(19) .
C38 H38 0.9300 .
C39 C40 1.314(18) .
C39 H39 0.9300 .
C40 C41 1.305(18) .
C40 H40 0.9300 .
C41 C42 1.314(19) .
C41 H41 0.9300 .
C42 H42 0.9300 .
Ag1' S7 2.466(9) 3_565
Ag1' S2 2.469(8) .
Ag1' S5 2.567(9) 3_565
Ag1' Ag3 2.868(13) .
Ag1' Ag9 2.957(14) 3_565
Ag1' Ag5 2.958(12) 3_565
C49 C50 1.394(16) .
C49 C54 1.401(16) .
C49 O1 1.42(2) .
C50 C51 1.385(16) .
C50 H50 0.9300 .
C51 C52 1.401(16) .
C51 H51 0.9300 .
C52 C53 1.391(16) .
C52 H52 0.9300 .
C53 C54 1.407(16) .
C53 H53 0.9300 .
C54 O2 1.43(2) .
C55 O2 1.484(17) .
C55 C56 1.532(19) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 O5 1.505(18) .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C58 O5 1.476(17) .
C58 C59 1.514(19) .
C58 H58A 0.9700 .
C58 H58B 0.9700 .
C59 O3 1.467(17) .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
C60 C61 1.380(18) .
C60 C65 1.401(18) .
C60 O3 1.41(2) .
C61 C62 1.388(19) .
C61 H61 0.9300 .
C62 C63 1.355(18) .
C62 H62 0.9300 .
C63 C64 1.370(18) .
C63 H63 0.9300 .
C64 C65 1.381(19) .
C64 H64 0.9300 .
C65 O4 1.41(2) .
C66 O4 1.484(17) .
C66 C67 1.519(19) .
C66 H66A 0.9700 .
C66 H66B 0.9700 .
C67 O6 1.478(17) .
C67 H67A 0.9700 .
C67 H67B 0.9700 .
C69 O6 1.478(17) .
C69 C70 1.522(18) .
C69 H69A 0.9700 .
C69 H69B 0.9700 .
C70 O1 1.464(17) .
C70 H70A 0.9700 .
C70 H70B 0.9700 .
O1 Na1 2.66(2) .
O2 Na1 2.65(2) .
O3 Na1 2.68(2) .
O4 Na1 2.68(2) .
O5 Na1 2.63(2) .
O6 Na1 2.57(2) .
Na1 O7' 2.33(3) .
Na1 O7 2.34(3) .
P2 Ag11 2.578(12) .
S2 Ag3 2.462(4) .
S2 Ag2 2.586(5) .
S3 Ag7 2.462(5) .
S3 Ag6 2.465(5) .
S4 Ag2 2.458(5) 2_665
S4 Ag2 2.458(5) .
S5 Ag5 2.462(4) .
S5 Ag6 2.581(5) .
S6 Ag8 2.471(5) .
S6 Ag6 2.494(5) .
S8 Ag7 2.458(5) .
S8 Ag8 2.489(5) .
S7 Ag9 2.466(4) .
S7 Ag7 2.640(5) 2_665
S9 Ag10 2.484(5) .
S9 Ag8 2.583(5) 3_565
S9 Ag11 2.626(4) .
Ag4 Ag5 2.7698(12) .
Ag4 Ag5 2.7699(12) 2_665
Ag4 Ag5 2.7699(12) 3_565
Ag4 Ag10 2.7743(18) 3_565
Ag4 Ag10 2.7743(19) 2_665
Ag4 Ag10 2.7744(18) .
Ag4 Ag3 2.7846(19) 3_565
Ag4 Ag3 2.7847(19) 2_665
Ag4 Ag3 2.7847(19) .
Ag4 Ag9 2.8080(13) .
Ag4 Ag9 2.8081(13) 2_665
Ag4 Ag9 2.8081(13) 3_565
Ag2 Ag2 3.148(3) 3_565
Ag2 Ag2 3.148(3) 2_665
Ag2 Ag3 3.268(2) .
Ag3 Ag3 2.851(2) 3_565
Ag3 Ag3 2.851(2) 2_665
Ag3 Ag5 2.9070(18) .
Ag3 Ag9 3.0289(19) 3_565
Ag3 Ag5 3.0331(18) 3_565
Ag5 Ag10 2.8410(19) 2_665
Ag5 Ag9 2.8443(17) 3_565
Ag5 Ag9 3.0186(18) .
Ag5 Ag6 3.1215(19) .
Ag6 Ag7 3.068(2) .
Ag6 Ag8 3.164(2) .
Ag7 Ag8 3.178(2) .
Ag7 Ag9 3.193(2) 3_565
Ag8 Ag10 3.0410(18) 2_665
Ag9 Ag10 2.8313(18) 3_565
Ag9 Ag10 2.9536(18) 2_665
Ag10 Ag10 2.967(2) 3_565
Ag10 Ag10 2.967(2) 2_665
O8 C71 1.39(3) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C8 H8 S2 0.93 2.83 3.542(19) 134.7 2_665 yes
C18 H18 S9 0.93 2.68 3.536(16) 152.5 2_665 yes
C50 H50 S6 0.93 2.97 3.84(3) 157.3 8_654 yes
C53 H53 S3 0.93 2.88 3.72(3) 150.1 18_545 yes
C58 H58A S4 0.97 3.03 3.76(3) 132.8 3_565 yes
C64 H64 S6 0.93 2.89 3.68(3) 143.9 16_665 yes
C70 H70A S6 0.97 2.68 3.48(2) 139.8 8_654 yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
C6 C1 C2 C3 4(3) .
S2 C1 C2 C3 169.9(14) .
C1 C2 C3 C4 -4(3) .
C1 C2 C3 S3 -178.8(14) .
C2 C3 C4 C5 2(3) .
S3 C3 C4 C5 176.9(18) .
C3 C4 C5 C6 0(4) .
C4 C5 C6 C1 0(3) .
C2 C1 C6 C5 -2(3) .
S2 C1 C6 C5 -167.9(17) .
C12 C7 C8 C9 5(3) .
S4 C7 C8 C9 -177.5(14) .
C7 C8 C9 C10 -8(3) .
C7 C8 C9 S5 173.3(15) .
C8 C9 C10 C11 11(3) .
S5 C9 C10 C11 -170.5(16) .
C9 C10 C11 C12 -12(3) .
C10 C11 C12 C7 9(3) .
C8 C7 C12 C11 -5(3) .
S4 C7 C12 C11 177.6(16) .
C18 C13 C14 C15 1(3) .
S8 C13 C14 C15 177.5(15) .
C13 C14 C15 C16 1(3) .
C14 C15 C16 C17 -1(3) .
C15 C16 C17 C18 -1(3) .
C15 C16 C17 S9 -175.7(14) .
C14 C13 C18 C17 -3(3) .
S8 C13 C18 C17 -179.7(13) .
C16 C17 C18 C13 3(3) .
S9 C17 C18 C13 178.1(13) .
C24 C19 C20 C21 4(3) .
S6 C19 C20 C21 -173.3(15) .
C19 C20 C21 C22 -4(3) .
C19 C20 C21 S7 173.9(14) .
C20 C21 C22 C23 2(3) .
S7 C21 C22 C23 -175.5(15) .
C21 C22 C23 C24 -1(3) .
C22 C23 C24 C19 1(3) .
C20 C19 C24 C23 -3(3) .
S6 C19 C24 C23 174.7(15) .
C48 C43 C44 C45 0.0(3) .
P2 C43 C44 C45 -174(3) .
C43 C44 C45 C46 0.0(3) .
C44 C45 C46 C47 -0.1(7) .
C45 C46 C47 C48 0.1(9) .
C44 C43 C48 C47 0.0(7) .
P2 C43 C48 C47 175(3) .
C46 C47 C48 C43 0.0(9) .
C31 P1 C25 C30 -2(2) .
C37 P1 C25 C30 -113.7(19) .
Ag1 P1 C25 C30 123.0(16) .
C31 P1 C25 C26 -177.4(17) .
C37 P1 C25 C26 70.8(18) .
Ag1 P1 C25 C26 -52.5(17) .
C30 C25 C26 C27 -0.1(3) .
P1 C25 C26 C27 176(2) .
C25 C26 C27 C28 0.1(3) .
C26 C27 C28 C29 -0.2(7) .
C27 C28 C29 C30 0.4(9) .
C26 C25 C30 C29 0.2(7) .
P1 C25 C30 C29 -175(2) .
C28 C29 C30 C25 -0.4(9) .
C25 P1 C31 C32 -71(4) .
C37 P1 C31 C32 37(4) .
Ag1 P1 C31 C32 166(3) .
C25 P1 C31 C36 107(4) .
C37 P1 C31 C36 -145(3) .
Ag1 P1 C31 C36 -16(4) .
C36 C31 C32 C33 -13(7) .
P1 C31 C32 C33 166(4) .
C31 C32 C33 C34 24(7) .
C32 C33 C34 C35 -24(6) .
C33 C34 C35 C36 19(7) .
C32 C31 C36 C35 5(6) .
P1 C31 C36 C35 -174(3) .
C34 C35 C36 C31 -9(7) .
C42 C37 C38 C39 0.0(3) .
P1 C37 C38 C39 -180(2) .
C37 C38 C39 C40 0.0(3) .
C38 C39 C40 C41 0.1(8) .
C39 C40 C41 C42 -0.2(10) .
C40 C41 C42 C37 0.2(10) .
C38 C37 C42 C41 -0.1(8) .
P1 C37 C42 C41 180(2) .
C54 C49 C50 C51 -3(6) .
O1 C49 C50 C51 -173(3) .
C49 C50 C51 C52 0(5) .
C50 C51 C52 C53 2(6) .
C51 C52 C53 C54 -1(6) .
C50 C49 C54 C53 4(6) .
O1 C49 C54 C53 175(3) .
C50 C49 C54 O2 -174(3) .
O1 C49 C54 O2 -3(5) .
C52 C53 C54 C49 -1(5) .
C52 C53 C54 O2 177(3) .
O2 C55 C56 O5 -64(3) .
O5 C58 C59 O3 65(3) .
C65 C60 C61 C62 0.1(3) .
O3 C60 C61 C62 -177(3) .
C60 C61 C62 C63 -0.1(3) .
C61 C62 C63 C64 0.2(7) .
C62 C63 C64 C65 -0.4(9) .
C63 C64 C65 C60 0.5(9) .
C63 C64 C65 O4 -178(3) .
C61 C60 C65 C64 -0.3(7) .
O3 C60 C65 C64 177(2) .
C61 C60 C65 O4 179(2) .
O3 C60 C65 O4 -4(3) .
O4 C66 C67 O6 -54(4) .
O6 C69 C70 O1 67(3) .
C50 C49 O1 C70 -13(5) .
C54 C49 O1 C70 177(3) .
C50 C49 O1 Na1 -148(3) .
C54 C49 O1 Na1 41(4) .
C69 C70 O1 C49 -174(3) .
C69 C70 O1 Na1 -40(3) .
C49 C54 O2 C55 177(3) .
C53 C54 O2 C55 -1(5) .
C49 C54 O2 Na1 -36(4) .
C53 C54 O2 Na1 145(3) .
C56 C55 O2 C54 -178(3) .
C56 C55 O2 Na1 39(3) .
C61 C60 O3 C59 3(3) .
C65 C60 O3 C59 -174(2) .
C61 C60 O3 Na1 -143.6(15) .
C65 C60 O3 Na1 40(2) .
C58 C59 O3 C60 -179(2) .
C58 C59 O3 Na1 -37(3) .
C64 C65 O4 C66 0(4) .
C60 C65 O4 C66 -178(2) .
C64 C65 O4 Na1 144.8(16) .
C60 C65 O4 Na1 -34(3) .
C67 C66 O4 C65 -179(3) .
C67 C66 O4 Na1 37(4) .
C59 C58 O5 C56 165(2) .
C59 C58 O5 Na1 -71(3) .
C55 C56 O5 C58 -173(2) .
C55 C56 O5 Na1 63(3) .
C70 C69 O6 C67 162(3) .
C70 C69 O6 Na1 -65(3) .
C66 C67 O6 C69 -180(3) .
C66 C67 O6 Na1 51(3) .
C44 C43 P2 C43 147(3) 3_565
C48 C43 P2 C43 -27(2) 3_565
C44 C43 P2 C43 -104(3) 2_665
C48 C43 P2 C43 82.0(14) 2_665
C44 C43 P2 Ag11 22(3) .
C48 C43 P2 Ag11 -152.5(15) .
C2 C1 S2 Ag3 29.6(16) .
C6 C1 S2 Ag3 -164.7(13) .
C2 C1 S2 Ag1' -44.2(15) .
C6 C1 S2 Ag1' 121.5(15) .
C2 C1 S2 Ag2 120.8(13) .
C6 C1 S2 Ag2 -73.6(16) .
C2 C1 S2 Ag1 -61.0(14) .
C6 C1 S2 Ag1 104.6(14) .
C4 C3 S3 Ag7 -137.3(15) .
C2 C3 S3 Ag7 36.9(16) .
C4 C3 S3 Ag6 141.3(15) .
C2 C3 S3 Ag6 -44.4(16) .
C12 C7 S4 Ag2 -165.8(14) 2_665
C8 C7 S4 Ag2 16.9(18) 2_665
C12 C7 S4 Ag2 109.9(16) .
C8 C7 S4 Ag2 -67.3(17) .
C10 C9 S5 Ag5 -130.2(15) .
C8 C9 S5 Ag5 48.4(16) .
C10 C9 S5 Ag1' 154.4(15) 2_665
C8 C9 S5 Ag1' -27.1(17) 2_665
C10 C9 S5 Ag1 137.1(15) 2_665
C8 C9 S5 Ag1 -44.3(16) 2_665
C10 C9 S5 Ag6 -48.8(17) .
C8 C9 S5 Ag6 129.8(14) .
C24 C19 S6 Ag8 140.7(13) .
C20 C19 S6 Ag8 -42.3(16) .
C24 C19 S6 Ag6 -134.2(14) .
C20 C19 S6 Ag6 42.8(16) .
C18 C13 S8 Ag7 -82.4(15) .
C14 C13 S8 Ag7 101.2(15) .
C18 C13 S8 Ag8 0.2(17) .
C14 C13 S8 Ag8 -176.2(13) .
C20 C21 S7 Ag1' -55.6(17) 2_665
C22 C21 S7 Ag1' 122.3(15) 2_665
C20 C21 S7 Ag9 19.4(18) .
C22 C21 S7 Ag9 -162.7(13) .
C20 C21 S7 Ag7 106.5(15) 2_665
C22 C21 S7 Ag7 -75.6(16) 2_665
C20 C21 S7 Ag1 -71.0(16) 2_665
C22 C21 S7 Ag1 106.9(15) 2_665
C16 C17 S9 Ag10 -127.7(14) .
C18 C17 S9 Ag10 57.5(14) .
C16 C17 S9 Ag8 -50.7(16) 3_565
C18 C17 S9 Ag8 134.5(12) 3_565
C16 C17 S9 Ag11 143.7(13) .
C18 C17 S9 Ag11 -31.1(15) .
