Extended Polyoxometalate Framework Solids: Two Mn(II)-Linked {P8W48} Network Arrays
Scott G. Mitchell; Thomas Boyd; Haralampos N. Miras; De-Liang Long; Leroy Cronin; Inorganic Chemistry 50 (2011) 136–143; doi:10.1021/ic101472s

data_4324095
_publ_contact_author_address
;
WestCHEM,
School of Chemistry,
The University of Glasgow,
University Avenue,
Glasgow
G12 8QQ,
UK
;
_publ_contact_author_email       l.cronin@chem.gla.ac.uk
_publ_contact_author_fax         +44-141-330-4888
_publ_contact_author_name        'Leroy Cronin'
_publ_contact_author_phone       +44-141-330-6650
_publ_section_title
;
 Extended Polyoxometalate Framework Solids: Two Mn(II)-Linked {P8W48}
 Network Arrays
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              136
_journal_page_last               143
_journal_paper_doi               10.1021/ic101472s
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety
'12(K +), (Mn14 (H2O)30 P8 W48 O184 12-), 111(H2O)'
_chemical_formula_sum            'H282 K12 Mn14 O325 P8 W48'
_chemical_formula_weight         15795.18
_chemical_name_systematic
;
 ?
;
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_cell_angle_gamma                90.00
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_collection
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CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_reduction
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_molecular_graphics    Diamond3.1
_computing_publication_material  Wingx
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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_diffrn_ambient_temperature      150(2)
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1352
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.610
_exptl_crystal_density_meas      ?
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_refine_ls_R_factor_all          0.1600
_refine_ls_R_factor_gt           0.1251
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3172
_refine_ls_wR_factor_ref         0.3403
_reflns_number_gt                8909
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        14532.1(19)
_cod_database_code               4324095