Information card for entry 4316606

Structure parameters

• Common name: [PY5Me2Ni(NCCH3)](PF6)2
• Formula: C72 H75 F24 N15 Ni2 O P4
• Calculated formula: C72 H50 F24 N15 Ni2 O P4
• Title of publication: Slow Magnetic Relaxation and Charge-Transfer in Cyano-Bridged Coordination Clusters Incorporating [Re(CN)7]3-/4-
• Authors of publication: Joseph M. Zadrozny; Danna E. Freedman; David M. Jenkins; T. David Harris; Anthony T. Iavarone; Corine Mathonière; Rodolphe Clérac; Jeffrey R. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8886 - 8896
• a: 22.369 ± 0.005 Å
• b: 15.229 ± 0.003 Å
• c: 24.496 ± 0.005 Å
• α: 90°
• β: 107.777 ± 0.004°
• γ: 90°
• Cell volume: 7946 ± 3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No