Information card for entry 4339018

Structure parameters

• Common name: bis(cyclopentadienyl)(tetrahydrofuran)magnesium
• Formula: C14 H18 Mg O
• Calculated formula: C14 H18 Mg O
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Mg]23451678([O]2CCCC2)[cH]2[cH]1[cH]6[cH]7[cH]28
• Title of publication: Volatile magnesium octahydrotriborate complexes as potential CVD precursors to MgB2. Synthesis and characterization of Mg(B3H8)2 and its etherates.
• Authors of publication: Kim, Do Young; Yang, Yu; Abelson, John R.; Girolami, Gregory S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9060 - 9066
• a: 12.414 ± 0.016 Å
• b: 9.855 ± 0.012 Å
• c: 11.556 ± 0.014 Å
• α: 90°
• β: 116.721 ± 0.019°
• γ: 90°
• Cell volume: 1263 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1944
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No