Information card for entry 7003488

Structure parameters

• Formula: C107.5 H119.5 N9.5 Ni3 O12
• Calculated formula: C107.5 H119.5 N9.5 Ni3 O12
• Title of publication: Synthetic, structural, electrochemical and solvent extraction studies of neutral trinuclear Co(ii), Ni(ii), Cu(ii) and Zn(ii) metallocycles and tetrahedral tetranuclear Fe(iii) species incorporating 1,4-aryl-linked bis-β-diketonato ligands
• Authors of publication: Clegg, Jack K.; Bray, David J.; Gloe, Kerstin; Gloe, Karsten; Jolliffe, Katrina A.; Lawrance, Geoffrey A.; Lindoy, Leonard F.; Meehan, George V.; Wenzel, Marco
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 10
• Pages of publication: 1331 - 1340
• a: 8.9493 ± 0.001 Å
• b: 23.585 ± 0.003 Å
• c: 26.145 ± 0.003 Å
• α: 104.688 ± 0.008°
• β: 93.275 ± 0.008°
• γ: 98.843 ± 0.007°
• Cell volume: 5247.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1943
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2253
• Weighted residual factors for all reflections included in the refinement: 0.2723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No