Information card for entry 4313728

Structure parameters

• Common name: Ni3(depa)4Cl2.0.5hexane
• Formula: C59 H71 Cl2 N12 Ni3
• Calculated formula: C59 H64 Cl2 N12 Ni3
• Title of publication: Enhancing the Stability of Trinickel Molecular Wires and Switches: Ni36+/Ni37+
• Authors of publication: John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3595 - 3601
• a: 19.0825 ± 0.0007 Å
• b: 19.0825 ± 0.0007 Å
• c: 15.7712 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5743 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No