Information card for entry 4311382

Structure parameters

• Formula: C29.87 H61.6 B Ni0.95 P3.95 Tl0.05
• Calculated formula: C29.8692 H61.6076 B Ni0.9564 P3.9564 Tl0.0436
• Title of publication: The Coordination Chemistry of "[BP3]NiX" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages
• Authors of publication: Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4645 - 4662
• a: 9.6258 ± 0.0005 Å
• b: 21.6538 ± 0.0012 Å
• c: 16.8244 ± 0.0009 Å
• α: 90°
• β: 93.871 ± 0.002°
• γ: 90°
• Cell volume: 3498.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0988
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.518
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No