Information card for entry 7119594

Structure parameters

• Formula: C30 H44 Al B Br2 N2 O
• Calculated formula: C30 H44 Al B Br2 N2 O
• SMILES: Br[Al]([O]1CCCC1)(Br)B1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C
• Title of publication: Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.
• Authors of publication: Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 149 - 152
• a: 14.1479 ± 0.0007 Å
• b: 12.1971 ± 0.0007 Å
• c: 19.3891 ± 0.0013 Å
• α: 90°
• β: 100.086 ± 0.006°
• γ: 90°
• Cell volume: 3294.1 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No