Information card for entry 4302261

Structure parameters

• Formula: C32 H52 Ni P2
• Calculated formula: C32 H52 Ni P2
• SMILES: [NiH]12[P](Cc3c2c(ccc3)C[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
• 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: 19.96 ± 0.002 Å
• b: 26.455 ± 0.003 Å
• c: 27.789 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14674 ± 3 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 4
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338609
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No