Information card for entry 1563914

Structure parameters

• Formula: C24 H32 Cl4 N4 Ni4 O8
• Calculated formula: C24 H32 Cl4 N4 Ni4 O8
• SMILES: c1[n]2c(ccc1)C[O]13[Ni]42(Cl)([O]25[Ni]67(Cl)([n]8ccccc8C[O]46[Ni]43(Cl)([n]3ccccc3C[O]74[Ni]51(Cl)([n]1ccccc1C2)[OH2])[OH2])[OH2])[OH2]
• Title of publication: Tetranuclear nickel cubane cluster formed by the hydrolysis of nickel koneramine complex
• Authors of publication: Raje, Sakthi; Angamuthu, Raja
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 258 - 261
• a: 14.7334 ± 0.0009 Å
• b: 17.7778 ± 0.0011 Å
• c: 14.1233 ± 0.0009 Å
• α: 90°
• β: 103.676 ± 0.001°
• γ: 90°
• Cell volume: 3594.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No