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_7018390
_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            'C48 H64 Cu5 Mo7 N24 O32'
_chemical_formula_weight         2478.51
_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                112.97(3)
_cell_angle_beta                 98.94(3)
_cell_angle_gamma                101.66(3)
_cell_formula_units_Z            1
_cell_length_a                   10.357(2)
_cell_length_b                   12.884(3)
_cell_length_c                   15.307(3)
_cell_measurement_temperature    150(2)
_cell_measurement_theta_min      0.433
_cell_volume                     1778.5(9)
_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      150(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0334
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13877
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.11
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.755
_exptl_absorpt_correction_T_max  0.5450
_exptl_absorpt_correction_T_min  0.4420
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1215
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.319
_refine_diff_density_min         -1.395
_refine_diff_density_rms         0.187
_refine_ls_extinction_method     shelxl
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         6159
_refine_ls_number_restraints     229
_refine_ls_restrained_S_all      1.145
_refine_ls_R_factor_all          0.0921
_refine_ls_R_factor_gt           0.0771
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0556P)^2^+37.5634P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1786
_refine_ls_wR_factor_ref         0.1868
_reflns_number_gt                5050
_reflns_number_total             6159
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11912a.txt
_cod_data_source_block           2
_cod_original_cell_volume        1778.6(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7018390