[Ag<sub>71</sub>(S-<sup><i>t</i></sup>Bu)<sub>31</sub>(Dppm)](SbF<sub>6</sub>)<sub>2</sub>: an intermediate-sized metalloid silver nanocluster containing a building block of Ag<sub>64</sub>.
Zhou, Manman; Bao, Yizheng; Jin, Shan; Wen, Shuaishuai; Chen, Shuang; Zhu, Manzhou; Chemical communications (Cambridge, England) 57 (2021) 10383–10386; doi:10.1039/d1cc04934h

data_7128961
_publ_section_title
;
 [Ag<sub>71</sub>(S-<sup><i>t</i></sup>Bu)<sub>31</sub>(Dppm)](SbF<sub>6</sub>)<sub>2</sub>:
 an intermediate-sized metalloid silver nanocluster containing a building
 block of Ag<sub>64</sub>.
;
_journal_issue                   80
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10383
_journal_page_last               10386
_journal_paper_doi               10.1039/d1cc04934h
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C149 H301 Ag71 F12 P2 S31 Sb2'
_chemical_formula_weight         11278.95
_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_method           SHELXL-2018/3
_audit_update_record
;
2020-10-13 deposited with the CCDC.	2021-09-13 downloaded from the CCDC.
;
_cell_angle_alpha                102.791(3)
_cell_angle_beta                 103.733(2)
_cell_angle_gamma                90.602(3)
_cell_formula_units_Z            4
_cell_length_a                   24.7024(15)
_cell_length_b                   33.182(2)
_cell_length_c                   38.8512(18)
_cell_measurement_reflns_used    3955
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      67.50
_cell_measurement_theta_min      2.01
_cell_volume                     30100(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_av_unetI/netI     0.1060
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            363852
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.500
_diffrn_reflns_theta_max         67.500
_diffrn_reflns_theta_min         1.368
_exptl_absorpt_coefficient_mu    39.848
_exptl_absorpt_correction_T_max  0.004
_exptl_absorpt_correction_T_min  0.001
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    2.489
_exptl_crystal_F_000             21072
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.140
_refine_diff_density_max         4.185
_refine_diff_density_min         -4.647
_refine_diff_density_rms         0.428
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     4940
_refine_ls_number_reflns         108067
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0676
_refine_ls_R_factor_gt           0.0458
_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/[\s^2^(Fo^2^)+(0.02P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0805
_refine_ls_wR_factor_ref         0.0941
_reflns_Friedel_coverage         0.000
_reflns_number_gt                67216
_reflns_number_total             108067
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc04934h2.cif
_cod_data_source_block           4-4
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

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

 Adding full bibliography for 7128961.cif.
;
_cod_database_code               7128961
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.046
_shelx_estimated_absorpt_t_max   0.072
_shelx_res_checksum              12047
_shelx_fab_checksum              79745