Information card for entry 4087757

Structure parameters

• Common name: NiCl2dppb
• Formula: C30 H24 Br0 Cl2 Ni P2
• Calculated formula: C30 H24 Cl2 Ni P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)c2ccccc2[P](c2ccccc2)(c2ccccc2)[Ni]1(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: 15.0451 ± 0.0008 Å
• b: 9.6692 ± 0.0006 Å
• c: 18.4342 ± 0.0011 Å
• α: 90°
• β: 104.426 ± 0.003°
• γ: 90°
• Cell volume: 2597.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.224
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No