Information card for entry 7017374

Structure parameters

• Formula: C11 H16 N4 Ni O11
• Calculated formula: C11 H16 N4 Ni O11
• Title of publication: Unusual shift of a nitro group in a phenylhydrazo-β-diketone.
• Authors of publication: Kopylovich, Maximilian N.; Mahmudov, Kamran T.; Guedes da Silva, M Fátima C; Kirillov, Alexander M.; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 46
• Pages of publication: 12472 - 12478
• a: 8.2053 ± 0.0002 Å
• b: 10.2393 ± 0.0003 Å
• c: 10.9106 ± 0.0002 Å
• α: 67.099 ± 0.001°
• β: 73.695 ± 0.001°
• γ: 85.866 ± 0.001°
• Cell volume: 809.74 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0561
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No