Information card for entry 4322689

Structure parameters

• Chemical name: (Me5CpCr)2B4H7Co(CO)3
• Formula: C23 H37 B4 Co Cr2 O3
• Calculated formula: C23 H37 B4 Co Cr2 O3
• SMILES: [Cr]123456789%10([Cr]%11%12%13%14%15%16%17%18([Co]%191(C#[O])(C#[O])(C#[O])[BH]6%17([BH]7%18[BH]8%16[BH]([H]9)[H]%11)[H]%10%19)[c]1([c]%15([c]%14([c]%13([c]%121C)C)C)C)C)[c]1([c]2([c]3([c]4([c]51C)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: 27.868 ± 0.003 Å
• b: 11.373 ± 0.003 Å
• c: 16.884 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5351.3 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections: 0.1842
• Weighted residual factors for significantly intense reflections: 0.1404
• Goodness-of-fit parameter for all reflections: 1.141
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No