Information card for entry 7119599

Structure parameters

• Formula: C75 H96 Al2 B2 Fe2 N4 O10
• Calculated formula: C75 H96 Al2 B2 Fe2 N4 O10
• 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: 12.057 ± 0.002 Å
• b: 12.316 ± 0.003 Å
• c: 25.08 ± 0.005 Å
• α: 90°
• β: 91.93 ± 0.03°
• γ: 90°
• Cell volume: 3722.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0606
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No