Information card for entry 4087756

Structure parameters

• Common name: NiBr3dppb
• Formula: C16.5 H15 Br1.5 Cl3 Ni0.5 P
• Calculated formula: C16.5 H15 Br1.5 Cl3 Ni0.5 P
• 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: 8.7809 ± 0.0004 Å
• b: 21.4011 ± 0.0011 Å
• c: 10.6362 ± 0.0005 Å
• α: 90°
• β: 113.372 ± 0.0007°
• γ: 90°
• Cell volume: 1834.76 ± 0.15 ų
• Cell temperature: 15 ± 2 K
• Ambient diffraction temperature: 15 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No