Information card for entry 4313444

Structure parameters

• Common name: Ni3(C10H8N3)4(PF6)3 (CH2Cl2)5
• Formula: C45 H42 Cl10 F18 N12 Ni3 P3
• Calculated formula: C45 H32 Cl10 F18 N12 Ni3 P3
• Title of publication: Oxidation of Ni3(dpa)4Cl2 and Cu3(dpa)4Cl2: Nickel-Nickel Bonding Interaction, but No Copper-Copper Bonds
• Authors of publication: John F. Berry; F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2418 - 2427
• a: 23.072 ± 0.002 Å
• b: 11.8337 ± 0.0011 Å
• c: 25.771 ± 0.002 Å
• α: 90°
• β: 111.509 ± 0.002°
• γ: 90°
• Cell volume: 6546.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No