Information card for entry 4337489

Structure parameters

• Formula: C4 H8 N2 Ni O6
• Calculated formula: C4 H8 N2 Ni O6
• Title of publication: Synthesis, crystal structures, magnetic, and thermal properties of divalent metal formate-formamide layered compounds.
• Authors of publication: Samarasekere, Pradeep; Wang, Xiqu; Jacobson, Allan J.; Tapp, Joshua; Möller, Angela
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 244 - 256
• a: 7.3615 ± 0.0018 Å
• b: 8.088 ± 0.002 Å
• c: 8.24 ± 0.003 Å
• α: 90°
• β: 116.052 ± 0.003°
• γ: 90°
• Cell volume: 440.8 ± 0.2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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: 0.0454
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No