Polyoxometalate-directed assembly of water-soluble AgCl nanocubes
Alevtina Neyman; Yifeng Wang; Shelly Sharet; Neta Varsano; Bogdan Botar; Paul Koegerler; Louisa Meshi; Ira A. Weinstock; Chem.Commun. 48 (2012) 2207–; doi:10.1039/c2cc16322e

data_7107366
_publ_section_title
;
 Polyoxometalate-directed assembly of water-soluble AgCl nanocubes
;
_journal_name_full               Chem.Commun.
_journal_page_first              2207
_journal_paper_doi               10.1039/c2cc16322e
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety         'Ag H24 K6 O51 P W11'
_chemical_formula_sum            'Ag H24 K6 O51 P W11'
_chemical_formula_weight         3235.98
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2011-12-02 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.9021(11)
_cell_length_b                   20.6963(12)
_cell_length_c                   13.2410(8)
_cell_measurement_reflns_used    8731
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      2.48
_cell_volume                     4905.9(5)
_computing_cell_refinement       'Bruker SMART. Bruker (2005)'
_computing_data_collection       'Bruker SMART. Bruker (2005)'
_computing_data_reduction        'Bruker SAINT. Bruker (2005)'
_computing_molecular_graphics    'Bruker SHELXTL. Bruker (2005)'
_computing_publication_material  'Bruker SHELXTL. Bruker (2005)'
_computing_structure_refinement  'SHELXL-97. Sheldrick, (2008)'
_computing_structure_solution    'SHELXS-97. Sheldrick, (2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 SMART APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0556
_diffrn_reflns_av_sigmaI/netI    0.0394
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            63509
_diffrn_reflns_theta_full        27.60
_diffrn_reflns_theta_max         27.60
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    26.722
_exptl_absorpt_correction_T_max  0.42
_exptl_absorpt_correction_T_min  0.04
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS Sheldrick (1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.381
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             5688
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.616
_refine_diff_density_min         -1.515
_refine_diff_density_rms         0.325
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.045(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     625
_refine_ls_number_reflns         11347
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0356P)^2^+71.7107P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.0842
_reflns_number_gt                11133
_reflns_number_total             11347
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc16322e.txt
_cod_data_source_block           pl1
_cod_original_sg_symbol_H-M      Pna2(1)
_cod_database_code               7107366