Information card for entry 4325819

Structure parameters

• Formula: C54 H66 Cl2 N6 Ni7 O26
• Calculated formula: C54 H66 Cl2 N6 Ni7 O26
• SMILES: c12c3cccc1C=[NH][Ni]1456[O]2[Ni]278([O]9c%10c(cccc%10C=[NH]7)[O](C)[Ni]7%10%119[O]2(C)[Ni]29%12([O]5(C)[Ni]5%13%14([O]1c1c(cccc1C=[NH]5)[O]4C)[O]1c4c(cccc4C=[NH][Ni]451([O]1[Ni]%15([NH]=Cc%16c1c(ccc%16)[O]4C)([O]%11c1c(cccc1C=[NH]%10)[O]%15C)([O]25C)[O]7%12C)[O]9%13C)[O]%14C)[O]68C)[O]3C.[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: 14.043 ± 0.002 Å
• b: 14.043 ± 0.002 Å
• c: 9.478 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1618.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No