#------------------------------------------------------------------------------
#$Date: 2023-06-05 07:38:45 +0300 (Mon, 05 Jun 2023) $
#$Revision: 284286 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/87/1568752.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_1568752
loop_
_publ_author_name
'Wang, Hao-Hai'
'Wei, Jianyu'
'Bigdeli, Fahime'
'Rouhani, Farzaneh'
'Su, Hai-Feng'
'Wang, Ling-Xiao'
'Kahlal, Samia'
'Halet, Jean-François'
'Saillard, Jean-Yves'
'Morsali, Ali'
'Liu, Kuan-Guan'
_publ_section_title
;
 Monocarboxylate-protected two-electron superatomic silver
 nanoclusters with high photothermal conversion performance.
;
_journal_issue                   18
_journal_name_full               Nanoscale
_journal_page_first              8245
_journal_page_last               8254
_journal_paper_doi               10.1039/d3nr00571b
_journal_volume                  15
_journal_year                    2023
_chemical_formula_sum            'C324 H228 Ag16 As8 O26'
_chemical_formula_weight         6862.33
_chemical_name_common            '[Ag16(C18H15As)8(C15H9O2)12](OH)2'
_space_group_crystal_system      cubic
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-05-02 deposited with the CCDC.	2023-03-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   31.0591(2)
_cell_length_b                   31.0591(2)
_cell_length_c                   31.0591(2)
_cell_measurement_reflns_used    9951
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.55
_cell_measurement_theta_min      2.27
_cell_volume                     29961.7(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXL or DIAMOND'
_computing_publication_material  'Bruker SHELXL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0803
_diffrn_reflns_av_unetI/netI     0.0517
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            92316
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.175
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.958
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             13584
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.090
_exptl_transmission_factor_max   0.838
_exptl_transmission_factor_min   0.677
_platon_squeeze_details
;
;
_refine_diff_density_max         0.505
_refine_diff_density_min         -1.576
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     562
_refine_ls_number_reflns         11454
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0741
_refine_ls_R_factor_gt           0.0454
_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)+(0.0569P)²+7.6167P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1061
_refine_ls_wR_factor_ref         0.1170
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8343
_reflns_number_total             11454
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3nr00571b2.cif
_cod_data_source_block           PP_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1568750--1568753.cif.
;
_cod_original_cell_volume        29961.7(6)
_cod_database_code               1568752
_shelx_shelxl_version_number     2018/3
_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   0.673
_shelx_estimated_absorpt_t_max   0.844
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
'-z, -x, -y'
'-z-1/2, x-1/2, y'
'z-1/2, x, -y-1/2'
'z, -x-1/2, y-1/2'
'-y, -z, -x'
'y, -z-1/2, x-1/2'
'-y-1/2, z-1/2, x'
'y-1/2, z, -x-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_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
Ag1 Ag 0.96795(2) 0.95186(2) 0.06335(2) 0.03139(9) Uani 1 1 d . . . . .
Ag2 Ag 1.02549(2) 1.02549(2) 0.02549(2) 0.02844(13) Uani 1 3 d S T P . .
Ag3 Ag 0.92398(2) 0.88888(2) 0.15000(2) 0.04378(11) Uani 1 1 d . . . . .
Ag4 Ag 0.91061(2) 0.91061(2) -0.08939(2) 0.04859(18) Uani 1 3 d S T P . .
As1 As 0.87536(2) 0.83759(2) 0.18441(2) 0.03858(13) Uani 1 1 d . . . . .
C11 C 0.88832(14) 0.82469(15) 0.24386(15) 0.0414(11) Uani 1 1 d . . . . .
C12 C 0.90302(17) 0.78450(17) 0.25683(18) 0.0543(13) Uani 1 1 d . . . . .
H12 H 0.904050 0.761357 0.236858 0.065 Uiso 1 1 calc R U . . .
C13 C 0.91619(19) 0.77826(19) 0.29905(19) 0.0619(15) Uani 1 1 d . . . . .
H13 H 0.926660 0.750906 0.307850 0.074 Uiso 1 1 calc R U . . .
C14 C 0.91417(19) 0.8113(2) 0.32807(19) 0.0653(16) Uani 1 1 d . . . . .
H14 H 0.922465 0.806592 0.357123 0.078 Uiso 1 1 calc R U . . .
C15 C 0.90000(17) 0.8520(2) 0.31529(18) 0.0596(15) Uani 1 1 d . . . . .
H15 H 0.898974 0.875045 0.335376 0.071 Uiso 1 1 calc R U . . .
C16 C 0.88747(15) 0.85840(17) 0.27303(17) 0.0491(12) Uani 1 1 d . . . . .
H16 H 0.878212 0.886104 0.263965 0.059 Uiso 1 1 calc R U . . .
C21 C 0.87439(14) 0.78097(14) 0.15818(15) 0.0393(10) Uani 1 1 d . . . . .
C22 C 0.83745(15) 0.75635(15) 0.15478(17) 0.0451(12) Uani 1 1 d . . . . .
H22 H 0.811320 0.766463 0.167036 0.054 Uiso 1 1 calc R U . . .
C23 C 0.83820(17) 0.71745(17) 0.13388(17) 0.0525(13) Uani 1 1 d . . . . .
H23 H 0.812607 0.700817 0.131850 0.063 Uiso 1 1 calc R U . . .
C24 C 0.87566(17) 0.70236(17) 0.11587(17) 0.0521(13) Uani 1 1 d . . . . .
H24 H 0.876005 0.675413 0.101403 0.063 Uiso 1 1 calc R U . . .
C25 C 0.91254(17) 0.72641(17) 0.11888(16) 0.0527(13) Uani 1 1 d . . . . .
H25 H 0.938569 0.715984 0.106673 0.063 Uiso 1 1 calc R U . . .
C26 C 0.91198(15) 0.76558(16) 0.13951(16) 0.0450(11) Uani 1 1 d . . . . .
H26 H 0.937572 0.782268 0.141016 0.054 Uiso 1 1 calc R U . . .
C31 C 0.81506(14) 0.85363(14) 0.18394(15) 0.0397(11) Uani 1 1 d . . . . .
C32 C 0.78681(15) 0.84298(17) 0.21723(16) 0.0469(12) Uani 1 1 d . . . . .
H32 H 0.796819 0.828316 0.242137 0.056 Uiso 1 1 calc R U . . .
C33 C 0.74385(17) 0.85429(18) 0.21314(18) 0.0570(14) Uani 1 1 d . . . . .
H33 H 0.724477 0.847278 0.235747 0.068 Uiso 1 1 calc R U . . .
C34 C 0.72853(17) 0.87509(16) 0.17779(19) 0.0537(13) Uani 1 1 d . . . . .
H34 H 0.698877 0.882267 0.175623 0.064 Uiso 1 1 calc R U . . .
C35 C 0.75667(18) 0.88559(17) 0.14519(19) 0.0561(14) Uani 1 1 d . . . . .
H35 H 0.746209 0.899808 0.120214 0.067 Uiso 1 1 calc R U . . .
C36 C 0.80001(16) 0.87572(15) 0.14835(17) 0.0489(12) Uani 1 1 d . . . . .
H36 H 0.819328 0.884078 0.126153 0.059 Uiso 1 1 calc R U . . .
As2 As 0.86573(2) 0.86573(2) -0.13427(2) 0.0447(2) Uani 1 3 d S T P . .
C41 C 0.88949(16) 0.85186(16) -0.19028(17) 0.0487(12) Uani 1 1 d . . . . .
C42 C 0.93344(17) 0.8525(2) -0.19432(18) 0.0609(15) Uani 1 1 d . . . . .
H42 H 0.950786 0.860423 -0.170409 0.073 Uiso 1 1 calc R U . . .
C43 C 0.9528(2) 0.8416(2) -0.2331(2) 0.084(2) Uani 1 1 d . . . . .
H43 H 0.983271 0.841468 -0.235575 0.101 Uiso 1 1 calc R U . . .
C44 C 0.9272(2) 0.83074(19) -0.26866(19) 0.0647(16) Uani 1 1 d . . . . .
H44 H 0.940167 0.823193 -0.295321 0.078 Uiso 1 1 calc R U . . .
C45 C 0.8829(2) 0.83115(19) -0.26446(18) 0.0651(16) Uani 1 1 d . . . . .
H45 H 0.865183 0.824083 -0.288375 0.078 Uiso 1 1 calc R U . . .
C46 C 0.86430(18) 0.84189(18) -0.22528(17) 0.0584(14) Uani 1 1 d . . . . .
H46 H 0.833835 0.842354 -0.222621 0.070 Uiso 1 1 calc R U . . .
C51 C 0.91007(16) 0.97287(14) 0.23057(14) 0.0409(11) Uani 1 1 d . . . . .
H51 H 0.935176 0.972879 0.213103 0.049 Uiso 1 1 calc R U . . .
C52 C 0.91430(18) 0.96866(16) 0.27394(15) 0.0504(13) Uani 1 1 d . . . . .
H52 H 0.942140 0.966113 0.286355 0.061 Uiso 1 1 calc R U . . .
C53 C 0.8768(2) 0.96804(17) 0.30105(16) 0.0566(15) Uani 1 1 d . . . . .
H53 H 0.879905 0.964979 0.331324 0.068 Uiso 1 1 calc R U . . .
C54 C 0.83721(18) 0.97182(16) 0.28346(16) 0.0507(13) Uani 1 1 d . . . . .
H54 H 0.812596 0.971011 0.301605 0.061 Uiso 1 1 calc R U . . .
C55 C 0.74375(15) 0.99456(16) 0.15813(17) 0.0490(13) Uani 1 1 d . . . . .
H55 H 0.719601 0.996436 0.176813 0.059 Uiso 1 1 calc R U . . .
C56 C 0.73772(15) 0.99774(16) 0.11531(18) 0.0520(13) Uani 1 1 d . . . . .
H56 H 0.709688 1.002339 0.103975 0.062 Uiso 1 1 calc R U . . .
C57 C 0.77400(15) 0.99412(14) 0.08697(16) 0.0427(11) Uani 1 1 d . . . . .
H57 H 0.769603 0.994850 0.056712 0.051 Uiso 1 1 calc R U . . .
C58 C 0.81468(14) 0.98963(13) 0.10278(14) 0.0349(10) Uani 1 1 d . . . . .
H58 H 0.838294 0.987812 0.083424 0.042 Uiso 1 1 calc R U . . .
C59 C 0.86385(14) 0.98310(12) 0.16600(13) 0.0309(9) Uani 1 1 d . . . . .
C60 C 0.79149(16) 0.98383(15) 0.22025(16) 0.0459(12) Uani 1 1 d . . . . .
H60 H 0.767211 0.985407 0.238788 0.055 Uiso 1 1 calc R U . . .
C61 C 0.83162(16) 0.97704(14) 0.23777(15) 0.0414(11) Uani 1 1 d . . . . .
C62 C 0.86929(14) 0.97725(13) 0.21073(14) 0.0350(10) Uani 1 1 d . . . . .
C63 C 0.78557(14) 0.98845(14) 0.17606(15) 0.0395(11) Uani 1 1 d . . . . .
C64 C 0.82228(14) 0.98764(13) 0.14813(14) 0.0349(10) Uani 1 1 d . . . . .
C65 C 0.90260(13) 0.98846(13) 0.13699(13) 0.0302(9) Uani 1 1 d . . . . .
O1 O 0.93028(9) 0.95948(9) 0.13375(9) 0.0340(7) Uani 1 1 d . . . . .
O2 O 0.90497(9) 1.02399(9) 0.11668(9) 0.0318(6) Uani 1 1 d . . . . .
C71 C 0.85288(18) 0.85143(17) 0.04243(16) 0.0503(12) Uani 1 1 d . . . . .
H71 H 0.882509 0.858535 0.045144 0.060 Uiso 1 1 calc R U . . .
C72 C 0.8388(2) 0.8130(2) 0.05809(18) 0.0670(16) Uani 1 1 d . . . . .
H72 H 0.858667 0.793476 0.070674 0.080 Uiso 1 1 calc R U . . .
C73 C 0.7947(2) 0.8022(2) 0.0557(2) 0.0719(18) Uani 1 1 d . . . . .
H73 H 0.784795 0.775771 0.067486 0.086 Uiso 1 1 calc R U . . .
C74 C 0.7662(2) 0.82976(19) 0.03631(19) 0.0639(16) Uani 1 1 d . . . . .
H74 H 0.736612 0.822213 0.034594 0.077 Uiso 1 1 calc R U . . .
C75 C 0.73739(18) 0.96543(19) -0.04004(19) 0.0593(15) Uani 1 1 d . . . . .
H75 H 0.708048 0.957411 -0.043228 0.071 Uiso 1 1 calc R U . . .
C76 C 0.75047(19) 1.0037(2) -0.0546(2) 0.0699(17) Uani 1 1 d . . . . .
H76 H 0.730462 1.022658 -0.067913 0.084 Uiso 1 1 calc R U . . .
C77 C 0.79402(19) 1.01607(19) -0.05027(19) 0.0623(15) Uani 1 1 d . . . . .
H77 H 0.802962 1.043510 -0.060410 0.075 Uiso 1 1 calc R U . . .
C78 C 0.82332(16) 0.98938(16) -0.03184(16) 0.0477(12) Uani 1 1 d . . . . .
H78 H 0.852617 0.997943 -0.029869 0.057 Uiso 1 1 calc R U . . .
C79 C 0.83889(14) 0.92074(15) 0.00544(14) 0.0397(11) Uani 1 1 d . . . . .
C80 C 0.75253(16) 0.89779(18) -0.00260(18) 0.0553(14) Uani 1 1 d . . . . .
H80 H 0.723045 0.890090 -0.005286 0.066 Uiso 1 1 calc R U . . .
C81 C 0.82480(15) 0.88121(16) 0.02219(15) 0.0432(11) Uani 1 1 d . . . . .
C82 C 0.78061(16) 0.86980(17) 0.01866(17) 0.0510(13) Uani 1 1 d . . . . .
C83 C 0.76651(16) 0.93643(17) -0.01986(16) 0.0482(12) Uani 1 1 d . . . . .
C84 C 0.81029(15) 0.94856(16) -0.01543(15) 0.0412(11) Uani 1 1 d . . . . .
C85 C 0.88526(14) 0.93423(15) 0.01276(15) 0.0384(10) Uani 1 1 d . . . . .
O3 O 0.89356(11) 0.94903(17) 0.04890(13) 0.0835(15) Uani 1 1 d . U . . .
O4 O 0.91225(10) 0.92853(11) -0.01591(10) 0.0491(9) Uani 1 1 d . . . . .
O5 O 0.7669(4) 0.7331(4) 0.2669(4) 0.339(11) Uani 1 3 d S TU P . .
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'
As As 0.0499 2.0058 '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
_geom_angle_publ_flag
O3 Ag1 O2 98.63(15) . 21_766 ?
O3 Ag1 O1 73.14(11) . . ?
O2 Ag1 O1 76.68(9) 21_766 . ?
O3 Ag1 Ag1 69.49(13) . 17_676 ?
O2 Ag1 Ag1 159.82(7) 21_766 17_676 ?
O1 Ag1 Ag1 84.11(6) . 17_676 ?
O3 Ag1 Ag1 145.60(9) . 21_766 ?
O2 Ag1 Ag1 83.97(7) 21_766 21_766 ?
O1 Ag1 Ag1 139.62(7) . 21_766 ?
Ag1 Ag1 Ag1 115.205(10) 17_676 21_766 ?
O3 Ag1 Ag2 83.97(11) . 13_775 ?
O2 Ag1 Ag2 128.17(7) 21_766 13_775 ?
O1 Ag1 Ag2 149.14(7) . 13_775 ?
Ag1 Ag1 Ag2 68.365(6) 17_676 13_775 ?
Ag1 Ag1 Ag2 68.363(6) 21_766 13_775 ?
O3 Ag1 Ag2 121.03(13) . . ?
O2 Ag1 Ag2 139.05(7) 21_766 . ?
O1 Ag1 Ag2 121.89(7) . . ?
Ag1 Ag1 Ag2 57.937(6) 17_676 . ?
Ag1 Ag1 Ag2 57.936(6) 21_766 . ?
Ag2 Ag1 Ag2 54.291(17) 13_775 . ?
O4 Ag2 O4 72.53(11) 21_766 17_676 ?
O4 Ag2 O4 72.53(12) 21_766 13_775 ?
O4 Ag2 O4 72.53(12) 17_676 13_775 ?
O4 Ag2 Ag2 136.92(7) 21_766 13_775 ?
O4 Ag2 Ag2 136.92(7) 17_676 13_775 ?
O4 Ag2 Ag2 136.92(7) 13_775 13_775 ?
O4 Ag2 Ag1 139.45(8) 21_766 13_775 ?
O4 Ag2 Ag1 112.45(9) 17_676 13_775 ?
O4 Ag2 Ag1 71.28(8) 13_775 13_775 ?
Ag2 Ag2 Ag1 68.002(11) 13_775 13_775 ?
O4 Ag2 Ag1 112.45(9) 21_766 17_676 ?
O4 Ag2 Ag1 71.28(8) 17_676 17_676 ?
O4 Ag2 Ag1 139.45(8) 13_775 17_676 ?
Ag2 Ag2 Ag1 68.002(11) 13_775 17_676 ?
Ag1 Ag2 Ag1 106.831(12) 13_775 17_676 ?
O4 Ag2 Ag1 71.28(8) 21_766 21_766 ?
O4 Ag2 Ag1 139.45(8) 17_676 21_766 ?
O4 Ag2 Ag1 112.45(9) 13_775 21_766 ?
Ag2 Ag2 Ag1 68.002(11) 13_775 21_766 ?
Ag1 Ag2 Ag1 106.830(12) 13_775 21_766 ?
Ag1 Ag2 Ag1 106.831(12) 17_676 21_766 ?
O4 Ag2 Ag1 158.79(8) 21_766 9_564 ?
O4 Ag2 Ag1 86.96(8) 17_676 9_564 ?
O4 Ag2 Ag1 106.95(9) 13_775 9_564 ?
Ag2 Ag2 Ag1 57.707(10) 13_775 9_564 ?
Ag1 Ag2 Ag1 53.700(5) 13_775 9_564 ?
Ag1 Ag2 Ag1 53.700(5) 17_676 9_564 ?
Ag1 Ag2 Ag1 125.709(17) 21_766 9_564 ?
O4 Ag2 Ag1 106.95(9) 21_766 5_654 ?
O4 Ag2 Ag1 158.79(9) 17_676 5_654 ?
O4 Ag2 Ag1 86.96(8) 13_775 5_654 ?
Ag2 Ag2 Ag1 57.707(10) 13_775 5_654 ?
Ag1 Ag2 Ag1 53.700(5) 13_775 5_654 ?
Ag1 Ag2 Ag1 125.709(17) 17_676 5_654 ?
Ag1 Ag2 Ag1 53.700(5) 21_766 5_654 ?
Ag1 Ag2 Ag1 94.122(13) 9_564 5_654 ?
O4 Ag2 Ag1 86.96(8) 21_766 . ?
O4 Ag2 Ag1 106.95(9) 17_676 . ?
O4 Ag2 Ag1 158.79(8) 13_775 . ?
Ag2 Ag2 Ag1 57.705(10) 13_775 . ?
Ag1 Ag2 Ag1 125.707(17) 13_775 . ?
Ag1 Ag2 Ag1 53.699(5) 17_676 . ?
Ag1 Ag2 Ag1 53.701(5) 21_766 . ?
Ag1 Ag2 Ag1 94.119(13) 9_564 . ?
Ag1 Ag2 Ag1 94.121(13) 5_654 . ?
O1 Ag3 O2 81.37(10) . 21_766 ?
O1 Ag3 As1 141.71(7) . . ?
O2 Ag3 As1 133.89(7) 21_766 . ?
O4 Ag4 O4 75.15(12) . 9_564 ?
O4 Ag4 O4 75.15(12) . 5_654 ?
O4 Ag4 O4 75.15(12) 9_564 5_654 ?
O4 Ag4 As2 135.24(7) . . ?
O4 Ag4 As2 135.24(7) 9_564 . ?
O4 Ag4 As2 135.24(7) 5_654 . ?
C11 As1 C31 105.2(2) . . ?
C11 As1 C21 102.5(2) . . ?
C31 As1 C21 102.41(19) . . ?
C11 As1 Ag3 115.14(13) . . ?
C31 As1 Ag3 115.26(14) . . ?
C21 As1 Ag3 114.69(13) . . ?
C16 C11 C12 119.7(5) . . ?
C16 C11 As1 117.7(4) . . ?
C12 C11 As1 122.2(4) . . ?
C11 C12 C13 119.8(5) . . ?
C14 C13 C12 120.3(5) . . ?
C13 C14 C15 120.4(5) . . ?
C16 C15 C14 119.3(5) . . ?
C15 C16 C11 120.5(5) . . ?
C22 C21 C26 118.4(4) . . ?
C22 C21 As1 123.1(4) . . ?
C26 C21 As1 118.3(3) . . ?
C23 C22 C21 120.6(5) . . ?
C24 C23 C22 120.5(5) . . ?
C25 C24 C23 119.6(5) . . ?
C24 C25 C26 120.2(5) . . ?
C25 C26 C21 120.6(5) . . ?
C36 C31 C32 119.8(5) . . ?
C36 C31 As1 117.4(4) . . ?
C32 C31 As1 122.8(4) . . ?
C33 C32 C31 118.5(5) . . ?
C34 C33 C32 122.1(5) . . ?
C33 C34 C35 119.0(5) . . ?
C34 C35 C36 120.9(5) . . ?
C35 C36 C31 119.7(5) . . ?
C41 As2 C41 103.12(17) 9_564 5_654 ?
C41 As2 C41 103.12(17) 9_564 . ?
C41 As2 C41 103.12(17) 5_654 . ?
C41 As2 Ag4 115.25(14) 9_564 . ?
C41 As2 Ag4 115.25(14) 5_654 . ?
C41 As2 Ag4 115.26(14) . . ?
C42 C41 C46 119.8(5) . . ?
C42 C41 As2 117.3(4) . . ?
C46 C41 As2 122.9(4) . . ?
C41 C42 C43 120.4(5) . . ?
C42 C43 C44 119.8(6) . . ?
C45 C44 C43 119.2(6) . . ?
C44 C45 C46 119.9(6) . . ?
C41 C46 C45 120.7(5) . . ?
C52 C51 C62 121.8(5) . . ?
C51 C52 C53 120.2(5) . . ?
C54 C53 C52 120.0(5) . . ?
C53 C54 C61 121.2(5) . . ?
C56 C55 C63 121.5(4) . . ?
C55 C56 C57 119.4(5) . . ?
C58 C57 C56 121.0(5) . . ?
C57 C58 C64 120.8(4) . . ?
C62 C59 C64 120.6(4) . . ?
C62 C59 C65 120.4(4) . . ?
C64 C59 C65 118.8(4) . . ?
C61 C60 C63 121.7(4) . . ?
C60 C61 C54 121.1(4) . . ?
C60 C61 C62 120.3(4) . . ?
C54 C61 C62 118.5(5) . . ?
C59 C62 C51 123.2(4) . . ?
C59 C62 C61 118.5(4) . . ?
C51 C62 C61 118.2(4) . . ?
C60 C63 C55 121.3(4) . . ?
C60 C63 C64 119.3(4) . . ?
C55 C63 C64 119.4(4) . . ?
C59 C64 C58 122.8(4) . . ?
C59 C64 C63 119.4(4) . . ?
C58 C64 C63 117.7(4) . . ?
O1 C65 O2 123.0(4) . . ?
O1 C65 C59 121.1(4) . . ?
O2 C65 C59 115.9(4) . . ?
C65 O1 Ag3 128.5(3) . . ?
C65 O1 Ag1 117.6(2) . . ?
Ag3 O1 Ag1 98.31(10) . . ?
C65 O2 Ag3 126.1(3) . 17_676 ?
C65 O2 Ag1 124.3(3) . 17_676 ?
Ag3 O2 Ag1 99.40(10) 17_676 17_676 ?
C72 C71 C81 122.2(5) . . ?
C71 C72 C73 120.1(6) . . ?
C74 C73 C72 120.0(6) . . ?
C73 C74 C82 120.6(5) . . ?
C76 C75 C83 121.3(5) . . ?
C75 C76 C77 120.0(6) . . ?
C78 C77 C76 121.1(6) . . ?
C77 C78 C84 120.2(5) . . ?
C84 C79 C81 120.9(4) . . ?
C84 C79 C85 120.1(4) . . ?
C81 C79 C85 118.8(4) . . ?
C83 C80 C82 121.8(5) . . ?
C79 C81 C71 122.9(4) . . ?
C79 C81 C82 119.4(5) . . ?
C71 C81 C82 117.7(5) . . ?
C80 C82 C81 118.9(5) . . ?
C80 C82 C74 121.8(5) . . ?
C81 C82 C74 119.3(5) . . ?
C80 C83 C84 119.6(5) . . ?
C80 C83 C75 121.4(5) . . ?
C84 C83 C75 119.0(5) . . ?
C79 C84 C83 119.4(5) . . ?
C79 C84 C78 122.3(4) . . ?
C83 C84 C78 118.3(5) . . ?
O4 C85 O3 124.4(4) . . ?
O4 C85 C79 119.8(4) . . ?
O3 C85 C79 115.8(4) . . ?
C85 O3 Ag1 113.0(3) . . ?
C85 O4 Ag4 136.0(3) . . ?
C85 O4 Ag2 123.1(3) . 13_775 ?
Ag4 O4 Ag2 92.16(11) . 13_775 ?
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
Ag1 O3 2.355(3) . ?
Ag1 O2 2.358(3) 21_766 ?
Ag1 O1 2.491(3) . ?
Ag1 Ag1 2.7150(3) 17_676 ?
Ag1 Ag1 2.7151(3) 21_766 ?
Ag1 Ag2 2.8549(4) 13_775 ?
Ag1 Ag2 3.1315(4) . ?
Ag2 O4 2.422(3) 21_766 ?
Ag2 O4 2.422(3) 17_676 ?
Ag2 O4 2.422(3) 13_775 ?
Ag2 Ag2 2.7424(10) 13_775 ?
Ag3 O1 2.258(3) . ?
Ag3 O2 2.357(3) 21_766 ?
Ag3 As1 2.4414(6) . ?
Ag4 O4 2.350(3) . ?
Ag4 O4 2.350(3) 9_564 ?
Ag4 O4 2.350(3) 5_654 ?
Ag4 As2 2.4147(10) . ?
As1 C11 1.932(5) . ?
As1 C31 1.938(5) . ?
As1 C21 1.938(5) . ?
C11 C16 1.385(7) . ?
C11 C12 1.389(7) . ?
C12 C13 1.387(7) . ?
C13 C14 1.368(8) . ?
C14 C15 1.395(8) . ?
C15 C16 1.383(7) . ?
C21 C22 1.383(6) . ?
C21 C26 1.389(6) . ?
C22 C23 1.372(7) . ?
C23 C24 1.373(7) . ?
C24 C25 1.371(7) . ?
C25 C26 1.375(7) . ?
C31 C36 1.382(7) . ?
C31 C32 1.396(6) . ?
C32 C33 1.386(7) . ?
C33 C34 1.360(8) . ?
C34 C35 1.377(7) . ?
C35 C36 1.384(7) . ?
As2 C41 1.938(5) 9_564 ?
As2 C41 1.938(5) 5_654 ?
As2 C41 1.938(5) . ?
C41 C42 1.371(7) . ?
C41 C46 1.375(7) . ?
C42 C43 1.389(8) . ?
C43 C44 1.401(9) . ?
C44 C45 1.383(8) . ?
C45 C46 1.387(7) . ?
C51 C52 1.360(6) . ?
C51 C62 1.415(6) . ?
C52 C53 1.437(7) . ?
C53 C54 1.352(7) . ?
C54 C61 1.439(7) . ?
C55 C56 1.347(7) . ?
C55 C63 1.426(7) . ?
C56 C57 1.434(6) . ?
C57 C58 1.363(6) . ?
C58 C64 1.429(6) . ?
C59 C62 1.411(6) . ?
C59 C64 1.412(6) . ?
C59 C65 1.513(6) . ?
C60 C61 1.376(7) . ?
C60 C63 1.392(7) . ?
C61 C62 1.440(6) . ?
C63 C64 1.433(6) . ?
C65 O1 1.249(5) . ?
C65 O2 1.273(5) . ?
C71 C72 1.360(8) . ?
C71 C81 1.418(7) . ?
C72 C73 1.412(8) . ?
C73 C74 1.371(8) . ?
C74 C82 1.431(7) . ?
C75 C76 1.336(8) . ?
C75 C83 1.422(7) . ?
C76 C77 1.413(8) . ?
C77 C78 1.358(7) . ?
C78 C84 1.425(7) . ?
C79 C84 1.398(6) . ?
C79 C81 1.404(7) . ?
C79 C85 1.517(6) . ?
C80 C83 1.384(7) . ?
C80 C82 1.397(7) . ?
C81 C82 1.422(7) . ?
C83 C84 1.418(6) . ?
C85 O4 1.236(5) . ?
C85 O3 1.240(5) . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 0.000 1371 214 ' '
2 0.000 0.000 0.500 1371 214 ' '
3 1.000 0.500 0.000 1371 214 ' '
4 0.500 0.500 0.500 1371 214 ' '
