Information card for entry 4322691

Structure parameters

• Chemical name: (Me5CpCr)2B5H9
• Formula: C20 H39 B5 Cr2
• Calculated formula: C20 H39 B5 Cr2
• SMILES: [Cr]123456789([Cr]%10%11%12%13%14%15%16%17([H][BH]([H]2)[BH]1%13[BH]4%14[BH]5%15[BH]([H]7)[H]%17)[c]1([c]%11([c]%12([c]%16([c]%101C)C)C)C)C)[c]1([c]3([c]6([c]9([c]81C)C)C)C)C
• Title of publication: Cluster Expansion Reactions of Group 6 Metallaboranes. Syntheses, Crystal Structures, and Spectroscopic Characterizations of (Cp*Cr)2B5H9, (Cp*Cr)2B4H8Fe(CO)3, (Cp*Cr)2B4H7Co(CO)3, and (Cp*Mo)2B5H9Fe(CO)3
• Authors of publication: Simon Aldridge; Hisako Hashimoto; Kazumori Kawamura; Maoyu Shang; Thomas P. Fehlner
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 928 - 940
• a: 23.711 ± 0.002 Å
• b: 23.711 ± 0.002 Å
• c: 8.438 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4743.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections: 0.168
• Weighted residual factors for significantly intense reflections: 0.1484
• Goodness-of-fit parameter for all reflections: 1.103
• Goodness-of-fit parameter for significantly intense reflections: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No