Information card for entry 7010505

Structure parameters

• Formula: C37.09 H42.09 B Cl2.1 F4 Mo N3
• Calculated formula: C37.094 H42.094 B Cl2.094 F4 Mo N3
• Title of publication: Molybdenum-based alkyne‒isocyanide coupling reactions: synthesis of a reactive diiminometallacyclopentene complex
• Authors of publication: Adams, Christopher J.; Anderson, Kirsty M.; Bartlett, Ian M.; Connelly, Neil G.; Orpen, A. Guy; Paget, Timothy J.; Phetmung, Hirihattaya; Smith, David W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1284
• a: 8.269 ± 0.002 Å
• b: 14.598 ± 0.003 Å
• c: 15.379 ± 0.003 Å
• α: 103.043 ± 0.018°
• β: 90.989 ± 0.019°
• γ: 92.729 ± 0.019°
• Cell volume: 1805.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No