Two novel octamolybdate nanoclusters as catalysts for dye degradation by air under room conditions.
Najafi, Mahnaz; Abbasi, Alireza; Masteri-Farahani, Majid; Janczak, Jan; Dalton transactions (Cambridge, England : 2003) 44 (2015) 6089–6097; doi:10.1039/c4dt03377a

data_7034044
_publ_section_title
;
 Two novel octamolybdate nanoclusters as catalysts for dye degradation by
 air under room conditions.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6089
_journal_page_last               6097
_journal_paper_doi               10.1039/c4dt03377a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'Mo8 O26, 2(C10 H10 N2), 2(C5 H4 N), 2(H2 O)'
_chemical_formula_sum            'C30 H30 Mo8 N6 O28'
_chemical_formula_weight         1690.10
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2013-12-04 deposited with the CCDC.
2015-02-12 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.635(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.8599(8)
_cell_length_b                   19.0464(7)
_cell_length_c                   10.2919(4)
_cell_measurement_reflns_used    3240
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.78
_cell_volume                     3577.0(3)
_computing_cell_refinement
;
Oxford Diffraction Poland (2006). CrysAlis Red, Version
171.32.6, Wroc\/law, Poland
;
_computing_data_collection
;
Oxford Diffraction Poland (2006). CrysAlis CCD, Version
171.32.6, Wroc\/law, Poland
;
_computing_data_reduction
;
Oxford Diffraction Poland (2006). CrysAlis Red, Version
171.32.6, Wroc\/law, Poland
;
_computing_molecular_graphics
;
Brandenburg & Putz (2006). Diamond 3.0. Crystal and Molecular
Structure Visualisation, University of Bonn, Germany
;
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean '1024x1024 with blocks 2x2'
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'KUMA KM-4 with area CCD detector'
_diffrn_measurement_method       \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  0.0247
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            21141
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         29.62
_diffrn_reflns_theta_min         2.78
_exptl_absorpt_coefficient_mu    1.419
_exptl_absorpt_correction_T_max  0.9078
_exptl_absorpt_correction_T_min  0.7633
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Oxford Diffraction Poland (2006). CrysAlis Red, Version
171.32.6, Wroc\/law, Poland
;
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_meas      1.565
_exptl_crystal_density_method    floatation
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1620
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.768
_refine_diff_density_min         -0.402
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     260
_refine_ls_number_reflns         4795
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0334
_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^)+(0.0380P)^2^+3.3806P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0660
_refine_ls_wR_factor_ref         0.0788
_reflns_number_gt                3240
_reflns_number_total             4795
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c4dt03377a2.cif
_cod_data_source_block           mn6
_cod_depositor_comments
'Adding full bibliography for 7034043--7034044.cif.'
_cod_original_cell_volume        3577.0(2)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               7034044