Information card for entry 7046925

Structure parameters

• Formula: C60 H151 Na O28 Sn12
• Calculated formula: C60 H140 Na O28 Sn12
• SMILES: C([Sn]1234[O]56[Sn]78(CCCC)([O]1C)[O](C)[Sn]15(CCCC)([O]2C)O[Sn]25(CCCC)(O8)[O]89[Sn]%10%11(CCCC)(O[Sn]%12%13%14(O[Sn]%15%16%17([O]([Sn]%18([O]([Sn](O[Sn]%19([O]%14C)([O]([Sn]([O]%13C)([O]%12%19%13)(O1)(CCCC)O%11)C)(O4)CCCC)([O]%16C)([O]%17%18[Na]69%13)(O3)CCCC)C)(O7)(CCCC)O[Sn]8(CCCC)([O]%10C)(O%15)[O]5C)C)CCCC)CCCC)[O]2C)CCC
• Title of publication: Alkyltin clusters: the less symmetric Keggin isomers.
• Authors of publication: Hutchison, Danielle C.; Stern, Rebecca D.; Olsen, Morgan R.; Zakharov, Lev N.; Persson, Kristin A.; Nyman, May
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9804 - 9813
• a: 16.1584 ± 0.0006 Å
• b: 24.8434 ± 0.0011 Å
• c: 23.591 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9470.1 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.2131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No