Anion triggered metallogels: demetalation and crystal growth inside the gel matrix and improvement in viscoelastic properties using Au-NPs.
Biswas, Arnab; Dubey, Mrigendra; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar; Soft matter 12 (2016) 2997–3003; doi:10.1039/c5sm02464a

data_1542587
_publ_section_title
;
 Anion triggered metallogels: demetalation and crystal growth inside the
 gel matrix and improvement in viscoelastic properties using Au-NPs.
;
_journal_issue                   12
_journal_name_full               'Soft matter'
_journal_page_first              2997
_journal_page_last               3003
_journal_paper_doi               10.1039/c5sm02464a
_journal_volume                  12
_journal_year                    2016
_chemical_absolute_configuration syn
_chemical_compound_source        Synthesized
_chemical_formula_moiety         'C25 H23 N5 O8'
_chemical_formula_sum            'C25 H23 N5 O8'
_chemical_formula_weight         521.48
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-09-03 deposited with the CCDC.
2016-02-26 downloaded from the CCDC.
;
_cell_angle_alpha                66.980(14)
_cell_angle_beta                 77.401(15)
_cell_angle_gamma                74.377(16)
_cell_formula_units_Z            2
_cell_length_a                   7.856(5)
_cell_length_b                   11.799(7)
_cell_length_c                   14.315(8)
_cell_measurement_temperature    293(2)
_cell_volume                     1166.6(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'SADABS Bruker'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71066
_diffrn_reflns_av_R_equivalents  0.1699
_diffrn_reflns_av_sigmaI/netI    0.1811
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13108
_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         2.71
_exptl_absorpt_coefficient_mu    0.114
_exptl_absorpt_correction_T_max  0.9773
_exptl_absorpt_correction_T_min  0.9662
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker, 1997'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.609
_refine_diff_density_min         -0.389
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       0.000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         3237
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.137
_refine_ls_R_factor_all          0.2665
_refine_ls_R_factor_gt           0.1021
_refine_ls_shift/su_max          0.06
_refine_ls_shift/su_mean         0.028
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0650P)^2^+2.0559P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1971
_refine_ls_wR_factor_ref         0.2479
_reflns_number_gt                2226
_reflns_number_total             3237
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5sm02464a2.cif
_cod_data_source_block           trya5
_cod_depositor_comments          'Adding full bibliography for 1542587.cif.'
_cod_original_cell_volume        1166.7(12)
_cod_database_code               1542587