Efficient stereo- and regioselective hydroxylation of alkanes catalysed by a bulky polyoxometalate.
Kamata, Keigo; Yonehara, Kazuhiro; Nakagawa, Yoshinao; Uehara, Kazuhiro; Mizuno, Noritaka; Nature chemistry 2 (2010) 478–483; doi:10.1038/nchem.648

data_1508032
_publ_section_title
;
 Efficient stereo- and regioselective hydroxylation of alkanes catalysed
 by a bulky polyoxometalate.
;
_journal_issue                   6
_journal_name_full               'Nature chemistry'
_journal_page_first              478
_journal_page_last               483
_journal_paper_doi               10.1038/nchem.648
_journal_volume                  2
_journal_year                    2010
_chemical_formula_moiety         'C24 N3 O40 P1 V2 W10'
_chemical_formula_sum            'C24 N3 O40 P V2 W10'
_chemical_formula_weight         2941.62
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_audit_creation_date             2010-01-30T18:01:19-00:00
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_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.5486(2)
_cell_length_b                   21.1547(2)
_cell_length_c                   23.1083(2)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     7600.92(14)
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_computing_data_collection       'Rigaku Saturn70'
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_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      153
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_theta_full        29.34
_diffrn_reflns_theta_max         29.34
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_exptl_absorpt_coefficient_mu    15.39
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.2
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_platon_squeeze_details
;
;
_refine_diff_density_max         3.773
_refine_diff_density_min         -5.432
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_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1240P)^2^+543.7393P] where P=(Fo^2^+2Fc^2^)/3'
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