Information card for entry 7251159

Structure parameters

• Formula: C8 H12 N16 Ni O4
• Calculated formula: C8 H12 N16 Ni O4
• Title of publication: Aqua and ammine 3d metal complexes with anion-radical of difurazanopyrazine
• Authors of publication: Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Morozov, Vitaliy A.; Samsonenko, Arkady A.; Romanenko, Galina; Bogomyakov, Artem
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 8.3767 ± 0.0003 Å
• b: 11.2253 ± 0.0004 Å
• c: 9.2089 ± 0.0003 Å
• α: 90°
• β: 111.999 ± 0.0014°
• γ: 90°
• Cell volume: 802.87 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No