Information card for entry 7113730

Structure parameters

• Formula: C13 H18 Fe Se Si
• Calculated formula: C13 H18 Fe Se Si
• SMILES: [c]12([cH]3[cH]4[cH]5[Fe]6789134([cH]1[cH]6[cH]7[cH]9[cH]81)[cH]25)[Se][Si](C)(C)C
• Title of publication: Functionalizing the surface of II‒VI clusters: redox active centres on the adamantoid complex [Cd~4~Cl~4~{μ-(SeC~5~H~4~)Fe(C~5~H~5~)}~6~]^2-^
• Authors of publication: Lebold, Terry P.; Stringle, Donald L. B.; Workentin, Mark S.; Corrigan, John F.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1398 - 1399
• a: 13.6164 ± 0.0006 Å
• b: 9.9392 ± 0.0004 Å
• c: 10.3578 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1401.78 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103709
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No