Information card for entry 2241442

Structure parameters

• Chemical name: Tetraaquadihydroxohexarheniumoctaselenium dodecahydrate
• Formula: H34 O18 Re6 Se8
• Calculated formula: O18 Re6 Se8
• SMILES: [Re]1234567([Re]89%10%11%12%13([Re]1%14%15%16%17([Re]12%18%19%20([Re]238%21([Re]19%14([Se]%11%15)([Se]%17%18)([Se]2%12)([Se]%20%21)O)([Se]4%10)([Se]6%19)[OH2])([Se]5%16)[OH2])([Se]7%13)[OH2])[OH2])O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: The first `hexaaqua-' complex of the [Re~6~Se~8~]^2+^ cluster core, [Re~6~Se~8~(OH)~2~(H~2~O)~4~]·12H~2~O
• Authors of publication: Zheng, Zhiping; Selby, Hugh D.; Roland, Bryan K.
• Journal of publication: Acta Crystallographica, Section E: Structure Reports Online
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: i77 - i79
• a: 15.1655 ± 0.0006 Å
• b: 15.1655 ± 0.0006 Å
• c: 11.0678 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2204.48 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 2200397
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No