Information card for entry 7055866

Structure parameters

• Formula: C18 H30 N10 Ni2 O4
• Calculated formula: C18 H30 N10 Ni2 O4
• SMILES: [Ni]12(NC(=NC(=[NH]2)OC)OC)[n]2n([Ni]3(NC(=NC(=[NH]3)OC)OC)[n]3n1c(cc3C)C)c(cc2C)C
• Title of publication: Metal-mediated generation of triazapentadienate-terminated di- and trinuclear μ2-pyrazolate NiII species and control of their nuclearity
• Authors of publication: Andrusenko, Elena V.; Kabin, Evgeniy V.; Novikov, Alexander S.; Bokach, Nadezhda A.; Starova, Galina L.; Kukushkin, Vadim Yu.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 316
• a: 8.1705 ± 0.0004 Å
• b: 10.6165 ± 0.0007 Å
• c: 14.8093 ± 0.0008 Å
• α: 78.021 ± 0.005°
• β: 75.628 ± 0.005°
• γ: 86.402 ± 0.005°
• Cell volume: 1217.2 ± 0.12 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: 0.0613
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No