Information card for entry 7013363

Structure parameters

• Formula: C7 H15 As2 B9 Fe O2
• Calculated formula: C7 H11 As2.122 B8.189 Fe O2
• Title of publication: Metallaheteroborane chemistry: Part 16.Part 15: ref. 1. Contrasting metal to heteroborane bonding modes in isoelectronic {MC2B9} and {MAs2B9} clusters. Synthesis and characterisation of [9-{Fe(CO)2(?5-C5H5)}-nido-7,8-C2B9H12], [7-{Fe(CO)2(?5-C5H5)}-nido-7,8-As2B9H10] and [7-{M(CO)2(?7-C7H7)}-nido-7,8-As2B9H10], where M is Mo or W
• Authors of publication: Bould, Jonathan; Kennedy, John D.; Ferguson, George; Tony Deeney, F.; O'Riordan, Gerald M.; Spalding, Trevor R.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 4557
• a: 10.7338 ± 0.0009 Å
• b: 12.1033 ± 0.0011 Å
• c: 13.3083 ± 0.0017 Å
• α: 90°
• β: 111.132 ± 0.01°
• γ: 90°
• Cell volume: 1612.7 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No