Information card for entry 4503008

Structure parameters

• Formula: C9 H12 N2 Ni O7
• Calculated formula: C9 H7 N2 Ni O7
• Title of publication: Chiral Porous Metal‒Organic Frameworks of Co(II) and Ni(II): Synthesis, Structure, Magnetic Properties, and CO2Uptake
• Authors of publication: Nagaraja, C. M.; Haldar, Ritesh; Maji, Tapas Kumar; Rao, C. N. R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 975
• a: 26.1792 ± 0.0015 Å
• b: 6.64 ± 0.0004 Å
• c: 7.6702 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1333.31 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No