Information card for entry 4322690

Structure parameters

• Chemical name: (Me5CpMo)2B5H9Fe(CO)3
• Formula: C23 H39 B5 Fe Mo2 O3
• Calculated formula: C23 H39 B5 Fe Mo2 O3
• SMILES: [Fe]1234([Mo]56789%10%11%12%13([BH]2([H]6)([H]%14)[Mo]%14%15%16%17%18%19%20%211([BH]13[BH]47[BH]8%161[BH]9%17([H]%10)[H]%18)[c]1([c]%19([c]%20([c]%21([c]%151C)C)C)C)C)[c]1([c]%11([c]%12([c]%13([c]15C)C)C)C)C)(C#[O])(C#[O])C#[O]
• 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: 24.679 ± 0.007 Å
• b: 25.126 ± 0.002 Å
• c: 17.958 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11135 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.0994
• Goodness-of-fit parameter for all reflections: 1.168
• Goodness-of-fit parameter for significantly intense reflections: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No