Information card for entry 4337232

Structure parameters

• Formula: Cl H112 Mn4 Na13 O151 Se6 W24
• Calculated formula: Cl Mn4 Na13 O151 Se6 W24
• SMILES: [W]1234([O]5[W]67(O[Se](=[O][Mn]89([O]%10%11[W]%12%13(=O)(O[W]%14%15%16([O]%17[W]%18(=[O][Mn]%19%20%21([O]=[W]%22%23([O]%24[W]%25(=O)(O4)(O%23)O[W]4%23([O]([W]%26(=[O][Mn]%27%28([O]=[W]%29%30([O]%31[W]%32(=O)(O[W]%33%34([O]%35%36[W]%37(=[O][Mn]%36([OH2])([OH2])([O]=%34)[O]=[Se]%34O[W]%36%38%39([O]%40[W]%41(O%34)(=O)(O%38)O[W]%34%38([O]%42[W](=O)(O%41)(O%38)(O[W]%38([O]([W](=[O]%21)(=O)(O%18)(O%38)O%39)=[Se]%40%42)(=O)(O%36)O%14)O[W]%14%18([O]([W](=[O]%28)(=O)(O%34)(O[W]%10(=[O]8)(=O)(O%14)O%13)O%18)=[Se]%11%17)(=O)O%15)(=[O]%27)=O)=O)(=O)(O[W]8([O]([W](=O)(O%37)(O%25)(O%32)O8)=[Se]%31%35)(=[O]%19)(=O)O%22)O%33)(=O)O%29)(O%23)O%30)(=O)O%26)([Cl]%20)[OH2])(=O)(O4)O7)=[Se]5%24)(=O)O6)(=O)O3)[OH2])(=O)(O%12)O%16)=O)=[O]9)([OH2])[OH2])O1)(=O)O2)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Cyclic Tungstoselenites Based on {Se2W12} Units.
• Authors of publication: Kalinina, Irina V.; Peresypkina, Eugenia V.; Izarova, Natalya V.; Nkala, Fiona M.; Kortz, Ulrich; Kompankov, Nikolay B.; Moroz, Nikolay K.; Sokolov, Maxim N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 2076 - 2082
• a: 13.968 ± 0.0004 Å
• b: 15.6454 ± 0.0005 Å
• c: 18.3497 ± 0.0005 Å
• α: 77.105 ± 0.001°
• β: 69.968 ± 0.001°
• γ: 66.628 ± 0.001°
• Cell volume: 3440.57 ± 0.18 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No