Information card for entry 7007874

Structure parameters

• Common name: Ni3(mpeptea)2(PF6)2,0.75CH3COCH3,0.5H2O
• Formula: C56.25 H50.5 F12 N18 Ni3 O1.25 P2
• Calculated formula: C56.25 H50.5 F12 N18 Ni3 O1.25 P2
• Title of publication: A trimetal chain cocooned by two heptadentate polypyridylamide ligands.
• Authors of publication: Cotton, F. Albert; Chao, Hui; Murillo, Carlos A.; Wang, Qingsheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 45
• Pages of publication: 5416 - 5422
• a: 13.986 ± 0.007 Å
• b: 14.116 ± 0.007 Å
• c: 31.151 ± 0.015 Å
• α: 85.761 ± 0.008°
• β: 78.517 ± 0.008°
• γ: 80.128 ± 0.009°
• Cell volume: 5933 ± 5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No