Novel class of water-soluble phosphonate silver cluster assembled material for efficient photoelectric sensing and photoacoustic imaging.
Biswas, Sourav; Das, Anish Kumar; Nath, Akashdeep; Paul, Souradip; Suheshkumar Singh, M.; Mandal, Sukhendu; Nanoscale 13 (2021) 17325–17330; doi:10.1039/d1nr05646h

data_1564935
_publ_section_title
;
 Novel class of water-soluble phosphonate silver cluster assembled
 material for efficient photoelectric sensing and photoacoustic imaging.
;
_journal_issue                   41
_journal_name_full               Nanoscale
_journal_page_first              17325
_journal_page_last               17330
_journal_paper_doi               10.1039/d1nr05646h
_journal_volume                  13
_journal_year                    2021
_chemical_formula_sum            'C16 H14 Ag F0 N4 O3 P'
_chemical_formula_weight         449.15
_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
;
2021-08-10 deposited with the CCDC.	2021-10-04 downloaded from the CCDC.
;
_cell_angle_alpha                74.068(6)
_cell_angle_beta                 82.863(6)
_cell_angle_gamma                83.792(6)
_cell_formula_units_Z            2
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_cell_length_b                   9.664(2)
_cell_length_c                   12.060(3)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.278
_cell_measurement_theta_min      2.768
_cell_volume                     824.6(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SAINT'
_computing_data_reduction        'Bruker APEX2'
_computing_molecular_graphics    'Mercury (Macrae <i>et al.</i>, 2008)'
_computing_publication_material
'WINGX (Farrugia, 2014) and PLATON(Spek, 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1228
_diffrn_reflns_av_unetI/netI     0.1128
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22398
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.278
_diffrn_reflns_theta_min         2.768
_exptl_absorpt_coefficient_mu    1.343
_exptl_absorpt_correction_T_max  0.986
_exptl_absorpt_correction_T_min  0.689
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS-2014/5
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.809
_exptl_crystal_description       rod
_exptl_crystal_F_000             448
_exptl_crystal_size_max          0.085
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_refine_diff_density_max         1.053
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_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4051
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1304
_refine_ls_R_factor_gt           0.0642
_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^)+(0.0217P)^2^+3.7977P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1115
_refine_ls_wR_factor_ref         0.1360
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2343
_reflns_number_total             4051
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1nr05646h2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 1564935.cif.'
_cod_original_cell_volume        824.5(3)
_cod_original_formula_sum        'C16 H14 Ag F0 N4 O3 P1'
_cod_database_code               1564935
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.894
_shelx_estimated_absorpt_t_max   0.967
_shelx_res_checksum              40689