A smart approach to achieve an exceptionally high loading of metal nanoparticles supported by functionalized extended frameworks for efficient catalysis
Bappaditya Gole; Udishnu Sanyal; Partha Sarathi Mukherjee; Chem.Commun. 51 (2015) 4872–; doi:10.1039/C4cc09228G

data_7116704
_publ_section_title
;
 A smart approach to achieve an exceptionally high loading of metal
 nanoparticles supported by functionalized extended frameworks for
 efficient catalysis
;
_journal_name_full               Chem.Commun.
_journal_page_first              4872
_journal_paper_doi               10.1039/C4cc09228G
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C21 H12 N2 O5 Zn, C3 H3 N O2, C3 H7 N O'
_chemical_formula_sum            'C27 H22 N4 O8 Zn'
_chemical_formula_weight         595.88
_chemical_name_systematic        MOF-1
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/cc13k8xv
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-10-16 deposited with the CCDC.
2015-02-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 94.661(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   11.361(5)
_cell_length_b                   15.532(5)
_cell_length_c                   16.269(5)
_cell_measurement_temperature    90(2)
_cell_volume                     2861.3(18)
_computing_cell_refinement       'Bruker kappa apex ccd'
_computing_data_collection       'Bruker kappa apex ccd'
_computing_data_reduction        'Bruker saint'
_computing_publication_material  WinGX1.80.05
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    shelxs-97
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0523
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            45877
_diffrn_reflns_theta_full        26.23
_diffrn_reflns_theta_max         26.23
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    0.912
_exptl_absorpt_correction_T_max  0.818
_exptl_absorpt_correction_T_min  0.769
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needles
_exptl_crystal_F_000             1224.0
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.389
_refine_diff_density_min         -0.770
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.909
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         5765
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      0.911
_refine_ls_R_factor_all          0.0765
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          7.155
_refine_ls_shift/su_mean         0.422
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1276P)^2^+13.4992P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1745
_refine_ls_wR_factor_ref         0.1913
_reflns_number_gt                4620
_reflns_number_total             5765
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c4cc09228g-all.cif
_cod_data_source_block           bght217_0m
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7116704
_cod_duplicate_entry 7116702