Controllable syntheses of two structurally new {AsW<sub>9</sub>O<sub>33</sub>}-mediated silver alkynyl clusters.
Liu, Qingqing; Feng, Yeqin; Liu, Tianfu; Zhao, Mengyun; Li, Yurui; Lv, Hongjin; Yang, Guo-Yu; Nanoscale 17 (2025) 21475–21480; doi:10.1039/d5nr03313f

data_1575579
_publ_section_title
;
 Controllable syntheses of two structurally new
 {AsW<sub>9</sub>O<sub>33</sub>}-mediated silver alkynyl clusters.
;
_journal_issue                   37
_journal_name_full               Nanoscale
_journal_page_first              21475
_journal_page_last               21480
_journal_paper_doi               10.1039/d5nr03313f
_journal_volume                  17
_journal_year                    2025
_chemical_formula_moiety         'C192 H288 Ag56 As2 Cl2 N4 O78 W18'
_chemical_formula_sum            'C192 H288 Ag56 As2 Cl2 N4 O78 W18'
_chemical_formula_weight         13471.01
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2025-05-11
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2025-06-24 deposited with the CCDC.	2025-08-29 downloaded from the CCDC.
;
_cell_angle_alpha                86.406(2)
_cell_angle_beta                 78.202(2)
_cell_angle_gamma                65.476(2)
_cell_formula_units_Z            1
_cell_length_a                   20.0339(4)
_cell_length_b                   21.6526(4)
_cell_length_c                   22.7879(4)
_cell_measurement_reflns_used    32771
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.2310
_cell_measurement_theta_min      1.9370
_cell_volume                     8800.6(3)
_computing_cell_refinement       'CrysAlisPro 1.171.43.140a (Rigaku OD, 2024)'
_computing_data_collection
'CrysAlisPro system (CCD 43.140a 64-bit (release 03-10-2024))'
_computing_data_reduction        'CrysAlisPro 1.171.43.140a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w     32.00  82.00   0.50    1.50    --   10.92-150.00 -80.00  100
  2  \w     17.00  42.00   0.50    1.50    --   10.92-123.00  82.00   50
  3  \w    -64.00  33.00   0.50    1.50    --   10.92 -77.00   0.00  194
  4  \w    -16.00  85.00   0.50    1.50    --   10.92  57.00 120.00  202
  5  \w    -57.00 -28.00   0.50    1.50    --  -14.83 150.00 -35.00   58
  6  \w    -86.00 -58.00   0.50    1.50    --  -14.83 150.00 -35.00   56
  7  \w    -37.00 -12.00   0.50    1.50    --  -14.83 123.00 162.00   50
  8  \w    -71.00 -45.00   0.50    1.50    --  -14.83 123.00 162.00   52
  9  \w    -83.00  19.00   0.50    1.50    --  -14.83 -77.00-150.00  204
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0369270000
_diffrn_orient_matrix_UB_12      0.0161773000
_diffrn_orient_matrix_UB_13      0.0168589000
_diffrn_orient_matrix_UB_21      -0.0142841000
_diffrn_orient_matrix_UB_22      0.0055237000
_diffrn_orient_matrix_UB_23      -0.0268013000
_diffrn_orient_matrix_UB_31      -0.0027652000
_diffrn_orient_matrix_UB_32      -0.0317026000
_diffrn_orient_matrix_UB_33      0.0030331000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0941
_diffrn_reflns_av_unetI/netI     0.1315
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            88026
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.907
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    9.138
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.41967
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.140a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.542
_exptl_crystal_description       block
_exptl_crystal_F_000             6156
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.19
_refine_diff_density_max         5.287
_refine_diff_density_min         -4.181
_refine_diff_density_rms         0.487
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     877
_refine_ls_number_reflns         30702
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.1352
_refine_ls_R_factor_gt           0.0816
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1169P)^2^+834.9512P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2158
_refine_ls_wR_factor_ref         0.2640
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20583
_reflns_number_total             30702
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5nr03313f2.cif
_cod_data_source_block           exp_3125_auto_sq
_cod_depositor_comments
'Adding full bibliography for 1575578--1575579.cif.'
_cod_database_code               1575579
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_usercomment     'Se W O Ag'
_shelx_estimated_absorpt_t_max   0.276
_shelx_estimated_absorpt_t_min   0.250
_reflns_odcompleteness_completeness 98.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C25-C41
 2.5 with sigma of 0.02
 C17-C25
 1.5 with sigma of 0.02
 C30-C13
 2.5 with sigma of 0.02
 C30-C44
 1.5 with sigma of 0.02
 C13-C44
 1.5 with sigma of 0.02
 C49-C26
 1.5 with sigma of 0.02
 C26-C69
 1.5 with sigma of 0.02
 C79-C42
 1.5 with sigma of 0.02
 C30-C11
 2.5 with sigma of 0.02
 C11-C44
 1.5 with sigma of 0.02
 C80-C77
 1.5 with sigma of 0.02
 C72-C77
 1.5 with sigma of 0.02
 C21-C26
 1.5 with sigma of 0.02
 C20-C17
 1.5 with sigma of 0.02
 C41-C20
 2.5 with sigma of 0.02
 C86-C55
 2.5 with sigma of 0.02
 C42-C86 = C86-C55
 2.5 with sigma of 0.02
 C50-C74 = C74-C96
 2.5 with sigma of 0.02
 C73-C33 = C33-C24
 2.5 with sigma of 0.02
 C73-C28
 1.5 with sigma of 0.02
 C28-C33
 1.5 with sigma of 0.02
 C18-C19
 1.5 with sigma of 0.02
 C79-C55
 1.5 with sigma of 0.02
 C18-C22
 1.5 with sigma of 0.02
 H42A-H55A
 2.45 with sigma of 0.01
 H42C-H55A
 2.45 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(O37) = Uanis(O38) = Uanis(O24) = Uanis(O8) = Uanis(O4) = Uanis(O11) =
Uanis(O10) = Uanis(O12) = Uanis(O31) = Uanis(O23) = Uanis(O7) = Uanis(O15) =
Uanis(O14) = Uanis(O36) = Uanis(O17) = Uanis(O30) = Uanis(O19) = Uanis(O32) =
Uanis(O20) = Uanis(O9) = Uanis(O22) = Uanis(O3) = Uanis(O1) = Uanis(O6) =
Uanis(O25) = Uanis(O16) = Uanis(O26) = Uanis(O34) = Uanis(O27) = Uanis(O33) =
Uanis(O28) = Uanis(O5) = Uanis(O29)
Uanis(C4) = Uanis(C72) = Uanis(C29) = Uanis(C65) = Uanis(C32) = Uanis(C77) =
Uanis(C34) = Uanis(C63) = Uanis(C36) = Uanis(C68) = Uanis(C37) = Uanis(C40) =
Uanis(C80) = Uanis(C43) = Uanis(C86) = Uanis(C46) = Uanis(C64) = Uanis(C47) =
Uanis(C66) = Uanis(C48) = Uanis(C70) = Uanis(C50) = Uanis(C74) = Uanis(C52) =
Uanis(C76) = Uanis(C54) = Uanis(C78) = Uanis(C56) = Uanis(C82) = Uanis(C60) =
Uanis(C85) = Uanis(C61) = Uanis(C62)
Uanis(C4) = Uanis(C78) = Uanis(C97) = Uanis(C29) = Uanis(C84) = Uanis(C32) =
Uanis(C49) = Uanis(C34) = Uanis(C85) = Uanis(C36) = Uanis(C95) = Uanis(C37) =
Uanis(C67) = Uanis(C38) = Uanis(C76) = Uanis(C40) = Uanis(C82) = Uanis(C43) =
Uanis(C88) = Uanis(C45) = Uanis(C91) = Uanis(C46) = Uanis(C96) = Uanis(C47) =
Uanis(C26) = Uanis(C48) = Uanis(C21) = Uanis(C50) = Uanis(C52) = Uanis(C77) =
Uanis(C54) = Uanis(C80) = Uanis(C56) = Uanis(C59) = Uanis(C86) = Uanis(C60) =
Uanis(C1) = Uanis(C61) = Uanis(C90) = Uanis(C62) = Uanis(C93) = Uanis(C63) =
Uanis(C2) = Uanis(C64) = Uanis(C6) = Uanis(C65) = Uanis(C66) = Uanis(C68) =
Uanis(C70) = Uanis(C69) = Uanis(C72) = Uanis(C74)
Uanis(C4) = Uanis(C78) = Uanis(C6) = Uanis(C29) = Uanis(C84) = Uanis(C32) =
Uanis(C34) = Uanis(C85) = Uanis(C36) = Uanis(C5) = Uanis(C37) = Uanis(C26) =
Uanis(C38) = Uanis(C71) = Uanis(C40) = Uanis(C82) = Uanis(C43) = Uanis(C88) =
Uanis(C45) = Uanis(C91) = Uanis(C46) = Uanis(C2) = Uanis(C47) = Uanis(C48) =
Uanis(C50) = Uanis(C69) = Uanis(C52) = Uanis(C73) = Uanis(C54) = Uanis(C80) =
Uanis(C56) = Uanis(C59) = Uanis(C86) = Uanis(C60) = Uanis(C1) = Uanis(C61) =
Uanis(C90) = Uanis(C62) = Uanis(C93) = Uanis(C63) = Uanis(C95) = Uanis(C64) =
Uanis(C96) = Uanis(C65) = Uanis(C97) = Uanis(C66) = Uanis(C28) = Uanis(C68) =
Uanis(C24) = Uanis(C70) = Uanis(C67) = Uanis(C72) = Uanis(C21) = Uanis(C74) =
Uanis(C49) = Uanis(C33) = Uanis(C76) = Uanis(C77)
Uanis(C4) = Uanis(C39) = Uanis(C97) = Uanis(C29) = Uanis(C90) = Uanis(C32) =
Uanis(C21) = Uanis(C34) = Uanis(C81) = Uanis(C36) = Uanis(C95) = Uanis(C37) =
Uanis(C24) = Uanis(C38) = Uanis(C33) = Uanis(C40) = Uanis(C43) = Uanis(C1) =
Uanis(C45) = Uanis(C93) = Uanis(C46) = Uanis(C96) = Uanis(C47) = Uanis(C28) =
Uanis(C48) = Uanis(C67) = Uanis(C50) = Uanis(C49) = Uanis(C52) = Uanis(C51) =
Uanis(C54) = Uanis(C53) = Uanis(C56) = Uanis(C79) = Uanis(C59) = Uanis(C88) =
Uanis(C60) = Uanis(C84) = Uanis(C61) = Uanis(C91) = Uanis(C62) = Uanis(C5) =
Uanis(C63) = Uanis(C2) = Uanis(C64) = Uanis(C6) = Uanis(C65) = Uanis(C66) =
Uanis(C26) = Uanis(C68) = Uanis(C70) = Uanis(C72) = Uanis(C69) = Uanis(C74) =
Uanis(C71) = Uanis(C73) = Uanis(C76) = Uanis(C75) = Uanis(C77) = Uanis(C9) =
Uanis(C78) = Uanis(C10) = Uanis(C80) = Uanis(C27) = Uanis(C82) = Uanis(C55) =
Uanis(C85) = Uanis(C86)
Uanis(C4) = Uanis(C53) = Uanis(C97) = Uanis(C29) = Uanis(C90) = Uanis(C32) =
Uanis(C49) = Uanis(C34) = Uanis(C57) = Uanis(C36) = Uanis(C95) = Uanis(C37) =
Uanis(C67) = Uanis(C38) = Uanis(C51) = Uanis(C40) = Uanis(C55) = Uanis(C43) =
Uanis(C7) = Uanis(C45) = Uanis(C93) = Uanis(C46) = Uanis(C96) = Uanis(C47) =
Uanis(C26) = Uanis(C48) = Uanis(C21) = Uanis(C50) = Uanis(C33) = Uanis(C52) =
Uanis(C39) = Uanis(C54) = Uanis(C27) = Uanis(C56) = Uanis(C42) = Uanis(C59) =
Uanis(C35) = Uanis(C60) = Uanis(C44) = Uanis(C61) = Uanis(C91) = Uanis(C62) =
Uanis(C5) = Uanis(C63) = Uanis(C2) = Uanis(C64) = Uanis(C6) = Uanis(C65) =
Uanis(C28) = Uanis(C66) = Uanis(C24) = Uanis(C68) = Uanis(C70) = Uanis(C69) =
Uanis(C72) = Uanis(C71) = Uanis(C74) = Uanis(C73) = Uanis(C75) = Uanis(C76) =
Uanis(C9) = Uanis(C77) = Uanis(C10) = Uanis(C78) = Uanis(C79) = Uanis(C80) =
Uanis(C81) = Uanis(C82) = Uanis(C83) = Uanis(C85) = Uanis(C3) = Uanis(C86) =
Uanis(C87) = Uanis(C88) = Uanis(C89) = Uanis(C1) = Uanis(C84)
Uanis(C4) = Uanis(C53) = Uanis(C97) = Uanis(C29) = Uanis(C11) = Uanis(C32) =
Uanis(C49) = Uanis(C34) = Uanis(C57) = Uanis(C36) = Uanis(C95) = Uanis(C37) =
Uanis(C67) = Uanis(C38) = Uanis(C51) = Uanis(C40) = Uanis(C55) = Uanis(C43) =
Uanis(C7) = Uanis(C45) = Uanis(C93) = Uanis(C46) = Uanis(C96) = Uanis(C47) =
Uanis(C26) = Uanis(C48) = Uanis(C21) = Uanis(C50) = Uanis(C33) = Uanis(C52) =
Uanis(C39) = Uanis(C54) = Uanis(C27) = Uanis(C56) = Uanis(C42) = Uanis(C59) =
Uanis(C35) = Uanis(C60) = Uanis(C44) = Uanis(C61) = Uanis(C30) = Uanis(C62) =
Uanis(C5) = Uanis(C63) = Uanis(C2) = Uanis(C64) = Uanis(C6) = Uanis(C65) =
Uanis(C28) = Uanis(C66) = Uanis(C24) = Uanis(C68) = Uanis(C70) = Uanis(C69) =
Uanis(C72) = Uanis(C71) = Uanis(C74) = Uanis(C73) = Uanis(C75) = Uanis(C76) =
Uanis(C9) = Uanis(C77) = Uanis(C10) = Uanis(C78) = Uanis(C79) = Uanis(C80) =
Uanis(C81) = Uanis(C82) = Uanis(C83) = Uanis(C85) = Uanis(C3) = Uanis(C86) =
Uanis(C87) = Uanis(C88) = Uanis(C89) = Uanis(C1) = Uanis(C58) = Uanis(C84) =
Uanis(C13) = Uanis(C90) = Uanis(C91)
Uanis(C4) = Uanis(C27) = Uanis(C28) = Uanis(C29) = Uanis(C30) = Uanis(C32) =
Uanis(C33) = Uanis(C34) = Uanis(C35) = Uanis(C36) = Uanis(C2) = Uanis(C37) =
Uanis(C21) = Uanis(C38) = Uanis(C39) = Uanis(C40) = Uanis(C42) = Uanis(C43) =
Uanis(C44) = Uanis(C45) = Uanis(C5) = Uanis(C46) = Uanis(C6) = Uanis(C47) =
Uanis(C24) = Uanis(C48) = Uanis(C49) = Uanis(C50) = Uanis(C51) = Uanis(C52) =
Uanis(C53) = Uanis(C54) = Uanis(C55) = Uanis(C56) = Uanis(C57) = Uanis(C59) =
Uanis(C7) = Uanis(C60) = Uanis(C11) = Uanis(C61) = Uanis(C14) = Uanis(C62) =
Uanis(C95) = Uanis(C63) = Uanis(C96) = Uanis(C64) = Uanis(C97) = Uanis(C65) =
Uanis(C26) = Uanis(C66) = Uanis(C67) = Uanis(C68) = Uanis(C69) = Uanis(C70) =
Uanis(C71) = Uanis(C72) = Uanis(C73) = Uanis(C74) = Uanis(C75) = Uanis(C76) =
Uanis(C9) = Uanis(C77) = Uanis(C10) = Uanis(C78) = Uanis(C79) = Uanis(C80) =
Uanis(C81) = Uanis(C82) = Uanis(C83) = Uanis(C85) = Uanis(C3) = Uanis(C86) =
Uanis(C87) = Uanis(C88) = Uanis(C89) = Uanis(C1) = Uanis(C58) = Uanis(C84) =
Uanis(C13) = Uanis(C90) = Uanis(C15) = Uanis(C91) = Uanis(C92) = Uanis(C93)
Uanis(C4) = Uanis(C27) = Uanis(C28) = Uanis(C29) = Uanis(C30) = Uanis(C32) =
Uanis(C33) = Uanis(C34) = Uanis(C35) = Uanis(C36) = Uanis(C18) = Uanis(C37) =
Uanis(C21) = Uanis(C38) = Uanis(C39) = Uanis(C40) = Uanis(C42) = Uanis(C43) =
Uanis(C44) = Uanis(C45) = Uanis(C12) = Uanis(C46) = Uanis(C47) = Uanis(C24) =
Uanis(C48) = Uanis(C49) = Uanis(C50) = Uanis(C51) = Uanis(C52) = Uanis(C53) =
Uanis(C54) = Uanis(C55) = Uanis(C56) = Uanis(C57) = Uanis(C59) = Uanis(C7) =
Uanis(C60) = Uanis(C11) = Uanis(C61) = Uanis(C14) = Uanis(C62) = Uanis(C16) =
Uanis(C63) = Uanis(C22) = Uanis(C64) = Uanis(C97) = Uanis(C65) = Uanis(C26) =
Uanis(C66) = Uanis(C67) = Uanis(C68) = Uanis(C69) = Uanis(C70) = Uanis(C71) =
Uanis(C72) = Uanis(C73) = Uanis(C74) = Uanis(C75) = Uanis(C76) = Uanis(C9) =
Uanis(C77) = Uanis(C10) = Uanis(C78) = Uanis(C79) = Uanis(C80) = Uanis(C81) =
Uanis(C82) = Uanis(C83) = Uanis(C85) = Uanis(C3) = Uanis(C86) = Uanis(C87) =
Uanis(C88) = Uanis(C89) = Uanis(C1) = Uanis(C58) = Uanis(C84) = Uanis(C13) =
Uanis(C90) = Uanis(C15) = Uanis(C91) = Uanis(C92) = Uanis(C93) = Uanis(C94) =
Uanis(C5) = Uanis(C95) = Uanis(C8) = Uanis(C2) = Uanis(C19) = Uanis(C96) =
Uanis(C6)
Uanis(C4) = Uanis(C27) = Uanis(C28) = Uanis(C29) = Uanis(C30) = Uanis(C32) =
Uanis(C33) = Uanis(C34) = Uanis(C35) = Uanis(C36) = Uanis(C8) = Uanis(C37) =
Uanis(C21) = Uanis(C38) = Uanis(C39) = Uanis(C40) = Uanis(C42) = Uanis(C43) =
Uanis(C44) = Uanis(C45) = Uanis(C12) = Uanis(C46) = Uanis(C17) = Uanis(C47) =
Uanis(C24) = Uanis(C48) = Uanis(C49) = Uanis(C50) = Uanis(C51) = Uanis(C52) =
Uanis(C53) = Uanis(C54) = Uanis(C55) = Uanis(C56) = Uanis(C57) = Uanis(C59) =
Uanis(C7) = Uanis(C60) = Uanis(C11) = Uanis(C61) = Uanis(C14) = Uanis(C62) =
Uanis(C16) = Uanis(C63) = Uanis(C19) = Uanis(C64) = Uanis(C25) = Uanis(C65) =
Uanis(C26) = Uanis(C66) = Uanis(C67) = Uanis(C68) = Uanis(C69) = Uanis(C70) =
Uanis(C71) = Uanis(C72) = Uanis(C73) = Uanis(C74) = Uanis(C75) = Uanis(C76) =
Uanis(C9) = Uanis(C77) = Uanis(C10) = Uanis(C78) = Uanis(C79) = Uanis(C80) =
Uanis(C81) = Uanis(C82) = Uanis(C83) = Uanis(C85) = Uanis(C3) = Uanis(C86) =
Uanis(C87) = Uanis(C88) = Uanis(C89) = Uanis(C1) = Uanis(C58) = Uanis(C84) =
Uanis(C13) = Uanis(C90) = Uanis(C15) = Uanis(C91) = Uanis(C92) = Uanis(C93) =
Uanis(C94) = Uanis(C5) = Uanis(C18) = Uanis(C95) = Uanis(C22) = Uanis(C2) =
Uanis(C23) = Uanis(C96) = Uanis(C20) = Uanis(C6) = Uanis(C41) = Uanis(C97)
4. Others
 Fixed Sof: Ag4(0.75) Ag16(0.75)
5.a Idealised Me refined as rotating group:
 C50(H50A,H50B,H50C), C56(H56A,H56B,H56C), C59(H59A,H59B,H59C), C66(H66A,H66B,
 H66C), C68(H68A,H68B,H68C), C70(H70A,H70B,H70C), C72(H72A,H72B,H72C), C74(H74A,
 H74B,H74C), C78(H78A,H78B,H78C), C80(H80A,H80B,H80C), C82(H82A,H82B,H82C),
 C85(H85A,H85B,H85C), C86(H86A,H86B,H86C), C93(H93A,H93B,H93C), C95(H95A,H95B,
 H95C), C2(H2A,H2B,H2C), C96(H96A,H96B,H96C), C6(H6A,H6B,H6C), C97(H97A,H97B,
 H97C), C24(H24A,H24B,H24C), C67(H67A,H67B,H67C), C21(H21A,H21B,H21C), C69(H69A,
 H69B,H69C), C49(H49A,H49B,H49C), C33(H33A,H33B,H33C), C73(H73A,H73B,H73C),
 C75(H75A,H75B,H75C), C39(H39A,H39B,H39C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C),
  C55(H55A,H55B,H55C), C81(H81A,H81B,H81C), C42(H42A,H42B,H42C), C3(H3A,H3B,
 H3C), C87(H87A,H87B,H87C), C7(H7A,H7B,H7C), C11(H11A,H11B,H11C), C13(H13A,H13B,
 H13C), C30(H30A,H30B,H30C), C15(H15A,H15B,H15C), C14(H14A,H14B,H14C), C92(H92A,
 H92B,H92C), C8(H8A,H8B,H8C), C22(H22A,H22B,H22C), C19(H19A,H19B,H19C),
 C20(H20A,H20B,H20C), C25(H25A,H25B,H25C), C41(H41A,H41B,H41C)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_shelx_res_checksum              39425
_shelx_fab_checksum              26660
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.875
_oxdiff_exptl_absorpt_empirical_full_min 0.728