Luminescent [CO<sub>2</sub>@Ag<sub>20</sub>(SAdm)<sub>10</sub>(CF<sub>3</sub>COO)<sub>10</sub>(DMA)<sub>2</sub>] nanocluster: synthetic strategy and its implication towards white light emission.
Biswas, Sourav; Das, Anish Kumar; Sardar, Avirup; Manna, Surya Sekhar; Mondal, Pradip Kumar; Polentarutti, Maurizio; Pathak, Biswarup; Mandal, Sukhendu; Nanoscale 15 (2023) 8377–8386; doi:10.1039/d3nr01107k

data_1568830
_publ_section_title
;
 Luminescent
 [CO<sub>2</sub>@Ag<sub>20</sub>(SAdm)<sub>10</sub>(CF<sub>3</sub>COO)<sub>10</sub>(DMA)<sub>2</sub>]
 nanocluster: synthetic strategy and its implication towards white light
 emission.
;
_journal_issue                   18
_journal_name_full               Nanoscale
_journal_page_first              8377
_journal_page_last               8386
_journal_paper_doi               10.1039/d3nr01107k
_journal_volume                  15
_journal_year                    2023
_chemical_formula_sum            'C129 H162 Ag20 F30 N2 O24 S10'
_chemical_formula_weight         5172.60
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-02-07 deposited with the CCDC.	2023-04-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.34(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.085(3)
_cell_length_b                   19.980(4)
_cell_length_c                   27.634(6)
_cell_measurement_reflns_used    120474
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.056
_cell_measurement_theta_min      1.099
_cell_volume                     8278(3)
_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, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Arinax MD2s Goniometer, Pilatus 6M detector'
_diffrn_measurement_method       'Rotating crystal'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.6199
_diffrn_reflns_av_R_equivalents  0.0828
_diffrn_reflns_av_unetI/netI     0.0496
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            120474
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        21.835
_diffrn_reflns_theta_max         24.056
_diffrn_reflns_theta_min         1.099
_diffrn_source                   'Elettra Synchrotron - XRD2 BL'
_exptl_absorpt_coefficient_mu    1.745
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.075
_exptl_crystal_description       Block
_exptl_crystal_F_000             5024
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_refine_diff_density_max         4.146
_refine_diff_density_min         -2.493
_refine_diff_density_rms         0.388
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.517
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     734
_refine_ls_number_reflns         19534
_refine_ls_number_restraints     1849
_refine_ls_restrained_S_all      1.503
_refine_ls_R_factor_all          0.1625
_refine_ls_R_factor_gt           0.1333
_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^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3906
_refine_ls_wR_factor_ref         0.4158
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12245
_reflns_number_total             19534
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3nr01107k2.cif
_cod_data_source_block           X4ESxT-03Jun131503_a
_cod_depositor_comments          'Adding full bibliography for 1568830.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1568830
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.845
_shelx_estimated_absorpt_t_max   0.966
_shelx_res_checksum              356
_shelx_hkl_checksum              20770
_shelx_fab_checksum              61082