Information card for entry 4087755

Structure parameters

• Common name: NiCl3dppb
• Formula: C30 H24 Cl3 Ni P2
• Calculated formula: C30 H24 Cl3 Ni P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)c2ccccc2[P](c2ccccc2)(c2ccccc2)[Ni]1(Cl)(Cl)Cl
• Title of publication: Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere
• Authors of publication: Hwang, Seung Jun; Anderson, Bryce L.; Powers, David C.; Maher, Andrew G.; Hadt, Ryan G.; Nocera, Daniel G.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 19
• Pages of publication: 4766
• a: 9.7441 ± 0.0009 Å
• b: 14.7302 ± 0.0014 Å
• c: 10.2714 ± 0.0009 Å
• α: 90°
• β: 113.297 ± 0.0017°
• γ: 90°
• Cell volume: 1354.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No