Information card for entry 4302262

Structure parameters

• Formula: C24 H44 Ni P2
• Calculated formula: C24 H44 Ni P2
• SMILES: c12c3cccc2C[P]([NiH]1[P](C3)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, Characterization, and Reactivity of Nickel Hydride Complexes Containing 2,6-C6H3(CH2PR2)2(R = tBu,cHex, and iPr) Pincer Ligands
• Authors of publication: Boro, Brian J.; Duesler, Eileen N.; Goldberg, Karen I.; Kemp, Richard A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5081 - 5087
• a: 16.1519 ± 0.0004 Å
• b: 16.1519 ± 0.0004 Å
• c: 19.1801 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5003.8 ± 0.2 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 4
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338608
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No