Three hybrid networks based on octamolybdate: Ionothermal synthesis, structure and photocatalytic properties.
Fu, Hai; Lu, Ying; Wang, Zhenli; Liang, Chang; Zhang, Zhi-Ming; Wang, Enbo; Dalton transactions (Cambridge, England : 2003) 41 (2012) 4084–4090; doi:10.1039/c2dt11912a

data_7018391
_publ_section_title
;
 Three hybrid networks based on octamolybdate: Ionothermal synthesis,
 structure and photocatalytic properties.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4084
_journal_page_last               4090
_journal_paper_doi               10.1039/c2dt11912a
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C60 H60 Cu3 Mo8 N30 O26'
_chemical_formula_weight         2575.52
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_cell_angle_alpha                105.78(3)
_cell_angle_beta                 114.65(3)
_cell_angle_gamma                101.16(3)
_cell_formula_units_Z            1
_cell_length_a                   12.583(3)
_cell_length_b                   13.642(3)
_cell_length_c                   14.263(3)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_min      0.53
_cell_volume                     2005.1(12)
_computing_molecular_graphics    'SHELXS-97 (Sheldrick, 1990)'
_computing_publication_material  'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX area-detector diffractometer'
_diffrn_measurement_method       '\f and \w 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  0.1264
_diffrn_reflns_av_sigmaI/netI    0.1823
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15088
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.05
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.080
_exptl_absorpt_correction_T_max  0.646
_exptl_absorpt_correction_T_min  0.555
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.133
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1261
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.286
_refine_diff_density_min         -1.175
_refine_diff_density_rms         0.201
_refine_ls_extinction_method     shelxl
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         6927
_refine_ls_number_restraints     53
_refine_ls_restrained_S_all      1.235
_refine_ls_R_factor_all          0.1317
_refine_ls_R_factor_gt           0.0708
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+6.6573P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1442
_refine_ls_wR_factor_ref         0.1801
_reflns_number_gt                3689
_reflns_number_total             6927
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11912a.txt
_cod_data_source_block           3
_cod_original_cell_volume        2005.0(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7018391