Information card for entry 4300008

Structure parameters

• Common name: 1,3-bis(diphenylphosphino)propane maleneonitrilediselenolate nickel(ii)
• Chemical name: 1,3-bis(diphenylphosphino)propane cis-1,2-dicyano,1,2-diselenato-ethene-Se-Se-nickel(ii)
• Formula: C31 H26 N2 Ni P2 Se2
• Calculated formula: C31 H26 N2 Ni P2 Se2
• SMILES: C1(=C(C#N)[Se][Ni]2([P](c3ccccc3)(c3ccccc3)CCC[P]2(c2ccccc2)c2ccccc2)[Se]1)C#N
• Title of publication: Facile Syntheses and Structures of New Metal-Maleonitrilediselenolates [K([2.2.2]-cryptand)]3[Ag(Se2C2(CN)2)(Se6)], [K([2.2.2]-cryptand)]2[Ni(Se2C2(CN)2)2], and Ni(dppp)(Se2C2(CN)2)
• Authors of publication: Craig C. McLauchlan; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1046 - 1048
• a: 12.4004 ± 0.0007 Å
• b: 15.4068 ± 0.0009 Å
• c: 15.4512 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2952 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No