Information card for entry 4305369

Structure parameters

• Formula: C24 H124 B44 Cl2 Hg N8 Sn4
• Calculated formula: C24 H124 B44 Cl2 Hg N8 Sn4
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%126[BH]625[BH]251[BH]1%116[BH]6%115[BH]542[Sn]378([Hg]([Sn]2347[BH]8%13%14[BH]%15%162[BH]2%174[BH]4%187[BH]738[BH]38%14[BH]%14%13%15[BH]%13%162[BH]2%17%18[BH]473[BH]8%14%132)([Sn]2347[BH]8%13%14[BH]%15%162[BH]2%174[BH]4%187[BH]738[BH]38%14[BH]%14%13%15[BH]%13%162[BH]2%17%18[BH]473[BH]8%14%132)[Sn]2347[BH]8%13%14[BH]%15%162[BH]2%174[BH]4%187[BH]738[BH]38%14[BH]%14%13%15[BH]%13%162[BH]2%17%18[BH]473[BH]8%14%132)[BH]965[BH]%10%121%11.[NH+](C)(C)C.[Cl-].[NH+](C)(C)C.[NH+](C)(C)C.[NH+](C)(C)C.[NH+](C)(C)C.[NH+](C)(C)C.[NH+](C)(C)C.[NH+](C)(C)C.[Cl-]
• Title of publication: Homoleptic Cadmium and Mercury Compounds of Stanna-closo-dodecaborate
• Authors of publication: Marius Kirchmann; Klaus Eichele; Lars Wesemann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5988 - 5991
• a: 14.9235 ± 0.0016 Å
• b: 14.9235 ± 0.0016 Å
• c: 20.3832 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4539.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No