Information card for entry 4337488

Structure parameters

• Formula: C4 H8 N2 Ni O6
• Calculated formula: C4 H2 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: 12.7638 ± 0.0019 Å
• b: 8.2459 ± 0.0012 Å
• c: 8.1902 ± 0.0012 Å
• α: 90°
• β: 92.646 ± 0.002°
• γ: 90°
• Cell volume: 861.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0304
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No