Information card for entry 4325821

Structure parameters

• Formula: C60 H78 Cl2 N6 Ni7 O26
• Calculated formula: C60 H78 Cl2 N6 Ni7 O26
• SMILES: c12C=[N]([Ni]3456[O]7(C)[Ni]89%10%11[O]%12(C)[Ni]%13%14%15([N](=Cc%16c%17c(ccc%16)[O](C)[Ni]%167([O]4c4c(cccc4C=[N]%16C)[O]5C)([O]%13%17)[O]%11%15C)C)[O]4[Ni]57%12([N](=Cc%11c4c(ccc%11)[O]%14C)C)[O]4c%11c(cccc%11C=[N](C)[Ni]%11%124([O]4[Ni]%13([N](=Cc%14c4c(ccc%14)[O]%11C)C)([O]3c1c(ccc2)[O]%13C)([O]8%12C)[O]6%10C)[O]97C)[O]5C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Microwave versus Traditional Solvothermal Synthesis of Ni7II Discs: Effect of Ligand on Exchange Reaction in Solution Studied by Electrospray Ionization-Mass Spectroscopy and Magnetic Properties
• Authors of publication: Lian-Qiang Wei; Kun Zhang; Ying-Chun Feng; Yun-Hong Wang; Ming-Hua Zeng; Mohamedally Kurmoo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7274 - 7283
• a: 13.936 ± 0.002 Å
• b: 13.936 ± 0.002 Å
• c: 24.01 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4038.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No