Information card for entry 7012736

Structure parameters

• Common name: (NiBr4(P(NHEt2)2)2)(NiBr4)
• Formula: C32 H62 Br8 N4 Ni2 P2
• Calculated formula: C32 H62 Br8 N4 Ni2 P2
• SMILES: [Ni](Br)(Br)(Br)(Br)([P](c1ccccc1)(C[NH+](CC)CC)C[NH+](CC)CC)[P](c1ccccc1)(C[NH+](CC)CC)C[NH+](CC)CC.[Ni](Br)(Br)([Br-])[Br-]
• Title of publication: The synthesis and properties of a new linear NPN proligand
• Authors of publication: Hitchcock, Peter B.; Lee, Ting Huei; Leigh, G. Jeffery
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2276
• a: 12.1242 ± 0.0014 Å
• b: 13.7869 ± 0.0017 Å
• c: 15.5447 ± 0.0017 Å
• α: 69.712 ± 0.006°
• β: 82.206 ± 0.006°
• γ: 86.362 ± 0.006°
• Cell volume: 2414.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No