Information card for entry 7115689

Structure parameters

• Common name: {(PPMeP)Ni}2(N2)
• Formula: C50 H78 N2 Ni2 P6
• Calculated formula: C50 H78 N2 Ni2 P6
• SMILES: c12c([P](C(C)C)(C(C)C)[Ni]3([N]#[N][Ni]45[P](C)(c6c(cccc6)[P]4(C(C)C)C(C)C)c4c([P]5(C(C)C)C(C)C)cccc4)[P]1(c1c([P]3(C(C)C)C(C)C)cccc1)C)cccc2
• Title of publication: Formation of a nickel carbon dioxide adduct and its transformation mediated by a Lewis acid
• Authors of publication: Yeong-Eun Kim; Jin Kim; Yunho Lee
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11458
• a: 18.508 ± 0.001 Å
• b: 19.9088 ± 0.001 Å
• c: 28.5632 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10524.7 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No