Information card for entry 7007871

Structure parameters

• Common name: Ni3(epeptea)2Cl2,4CH3OH,0.5H2O
• Formula: C62 H70 Cl2 N18 Ni3 O4.5
• Calculated formula: C62 H70 Cl2 N18 Ni3 O4.5
• 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: 21.001 ± 0.005 Å
• b: 44.077 ± 0.011 Å
• c: 13.966 ± 0.003 Å
• α: 90°
• β: 98.094 ± 0.005°
• γ: 90°
• Cell volume: 12799 ± 5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.1478
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No