Information card for entry 4082199

Structure parameters

• Chemical name: [PhC{N(iPr)H}2][BPh4]
• Formula: C37 H41 B N2
• Calculated formula: C37 H41 B N2
• Title of publication: Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titaniumtert-Butoxyimido Compound
• Authors of publication: Groom, Laura R.; Schwarz, Andrew D.; Nova, Ainara; Clot, Eric; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7520
• a: 9.7572 ± 0.0008 Å
• b: 10.1086 ± 0.0007 Å
• c: 16.547 ± 0.0011 Å
• α: 98.985 ± 0.006°
• β: 105.885 ± 0.006°
• γ: 95.944 ± 0.006°
• Cell volume: 1532 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0284
• Weighted residual factors for all reflections included in the refinement: 0.0284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1459
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No