Information card for entry 4338925

Structure parameters

• Formula: H10 O6 Re6 Se8
• Calculated formula: O6 Re6 Se8
• SMILES: O[Re]1234567[Se]8[Re]9%10%11%12%134(O)[Re]4%14%15%162(O)([Re]2%17%18%191(O)([Se]1[Re]%20%10%152(O)([Se]94)([Re]58%11%171(O)([Se]7%19)[Se]%13%20)[Se]%16%18)[Se]3%14)[Se]6%12
• Title of publication: A family of octahedral rhenium cluster complexes [Re6Q8(H2O)n(OH)6-n]n-4 (Q=S, Se; n=0-6): structural and pH-dependent spectroscopic studies.
• Authors of publication: Brylev, Konstantin A.; Mironov, Yuri V.; Yarovoi, Spartak S.; Naumov, Nikolai G.; Fedorov, Vladimir E.; Kim, Sung-Jin; Kitamura, Noboru; Kuwahara, Yusuke; Yamada, Konatsu; Ishizaka, Shoji; Sasaki, Yoichi
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7414 - 7422
• a: 12.084 ± 0.004 Å
• b: 12.084 ± 0.004 Å
• c: 12.084 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1764.5 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No