Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>.
Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing; Nanoscale 12 (2020) 1617–1622; doi:10.1039/c9nr07779k

data_1556541
_publ_section_title
;
 Oxometalate and phosphine ligand co-protected silver nanoclusters:
 Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and
 Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>.
;
_journal_issue                   3
_journal_name_full               Nanoscale
_journal_page_first              1617
_journal_page_last               1622
_journal_paper_doi               10.1039/c9nr07779k
_journal_volume                  12
_journal_year                    2020
_chemical_formula_sum            'C173 H189 Ag28 Mo4 O21 P12'
_chemical_formula_weight         6379.99
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-04-10 deposited with the CCDC.	2019-12-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 122.9670(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   57.470(5)
_cell_length_b                   33.556(3)
_cell_length_c                   39.361(7)
_cell_measurement_reflns_used    9624
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.62
_cell_measurement_theta_min      2.85
_cell_volume                     63684(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-III CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0734
_diffrn_reflns_av_unetI/netI     0.1026
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       67
_diffrn_reflns_limit_h_min       -67
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            180080
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        24.786
_diffrn_reflns_theta_max         24.786
_diffrn_reflns_theta_min         2.829
_exptl_absorpt_coefficient_mu    1.922
_exptl_absorpt_correction_T_max  0.735
_exptl_absorpt_correction_T_min  0.581
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             24472
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         4.797
_refine_diff_density_min         -2.601
_refine_diff_density_rms         0.297
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2131
_refine_ls_number_reflns         53842
_refine_ls_number_restraints     2010
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.1798
_refine_ls_R_factor_gt           0.1177
_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^)+(0.1883P)^2^+2657.4924P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3143
_refine_ls_wR_factor_ref         0.3572
_reflns_Friedel_coverage         0.000
_reflns_number_gt                27271
_reflns_number_total             53842
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nr07779k2.cif
_cod_data_source_block           11_a
_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 1556541--1556543.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1556541
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              52384
_platon_squeeze_void_probe_radius 1.20