Tetrakis(2,6-dimethylpyridinium) dihydrogen decavanadate dihydrate
Rakovský, Erik; Krivosudský, Lukáš; Acta Crystallographica Section E 70 (2014) m225–m226; doi:10.1107/S1600536814011118

data_2239587
_publ_section_title
;
 Tetrakis(2,6-dimethylpyridinium) dihydrogen decavanadate dihydrate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m225
_journal_page_last               m226
_journal_paper_doi               10.1107/S1600536814011118
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '(C7 H10 N)4 [H2 V10 O28], 2H2 O'
_chemical_formula_moiety         '4(C7 H10 N +), H2 V10 O28 4-, 2(H2 O)'
_chemical_formula_sum            'C28 H46 N4 O30 V10'
_chemical_formula_weight         1428.09
_chemical_name_common
'2,6-Lutidinium dihydrogendecavanadate dihydrate'
_chemical_name_systematic
;
Tetrakis(2,6-dimethylpyridinium) dihydrogen decavanadate dihydrate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
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_atom_sites_solution_hydrogens   difmap
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;
Olex2 1.2-alpha
(compiled 2014.02.11 svn.r2872 for OlexSys, GUI svn.r4767)
;
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_computing_cell_refinement
;
CrysAlisPro (Agilent, 2014)
;
_computing_data_collection
;
CrysAlisPro (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlisPro (Agilent, 2014)
;
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2010)'
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;
Olex2 (Dolomanov <i>et al.</i>, 2009) and publCIF (Westrip,
2010)
;
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_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.4340
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device       '\k-geometry four-circle diffractometer'
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_diffrn_measurement_method       \w-scans
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5867
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_refine_ls_restrained_S_all      1.079
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0401P)^2^+8.437P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0840
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_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            gk2606sup1.cf
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2239587
_cod_database_fobs_code          2239587
_shelx_estimated_absorpt_t_min   0.501
_shelx_estimated_absorpt_t_max   0.865
_shelxl_version_number           201.4