Interparticle Reactions between Silver Nanoclusters leading to Product Co-Crystals by Selective Co-Crystallization.
Dar, Wakeel Ahmed; Bodiuzzaman, Mohammad; Ghosh, Debasmita; Paramasivam, Ganesan; Khatun, Esma; Sugi, Korath Shivan; Pradeep, Thalappil; ACS nano  (2019) –; doi:10.1021/acsnano.9b06740

data_4516213
_publ_section_title
;
 Interparticle Reactions between Silver Nanoclusters leading to Product
 Co-Crystals by Selective Co-Crystallization.
;
_journal_name_full               'ACS nano'
_journal_paper_doi               10.1021/acsnano.9b06740
_journal_year                    2019
_chemical_formula_moiety
'0.67(C46 H72 Ag16 F21 O14 S8 Cl)+ 0.33(C46 H72 Ag17 F21 O14 S8 Cl)+ 4(C2 H3 N)+ Cl'
_chemical_formula_sum            'C54 H81 Ag16.33 Cl F21 N4 O14 S8'
_chemical_formula_weight         3462.94
_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
_cell_angle_alpha                90
_cell_angle_beta                 98.198(14)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.802(9)
_cell_length_b                   22.502(10)
_cell_length_c                   22.792(11)
_cell_measurement_reflns_used    9431
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.69
_cell_measurement_theta_min      3.01
_cell_volume                     10052(8)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3(Bruker, 2016)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker axs kappa apex3 CMOS Diffractometer'
_diffrn_measurement_method       '\w and \f scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1507
_diffrn_reflns_av_unetI/netI     0.0866
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            137308
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.856
_exptl_absorpt_coefficient_mu    3.381
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5466
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.288
_exptl_crystal_description       block
_exptl_crystal_F_000             6587
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.946
_refine_diff_density_min         -1.274
_refine_diff_density_rms         0.204
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1192
_refine_ls_number_reflns         17664
_refine_ls_number_restraints     904
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.1811
_refine_ls_R_factor_gt           0.0812
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1365P)^2^+130.0947P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2079
_refine_ls_wR_factor_ref         0.3073
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8147
_reflns_number_total             17664
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            nn9b06740_si_002.cif
_cod_data_source_block           new1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4516213
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.551
_shelx_estimated_absorpt_t_max   0.729
_shelx_res_checksum              37088
_shelx_hkl_checksum              94681