Information card for entry 1560657

Structure parameters

• Formula: C9.76 H19.52 Fe0.5 N1.5 Ni1.5 O12
• Calculated formula: C9.7596 H7.8792 Fe0.4998 N1.4988 Ni1.5002 O12
• Title of publication: Synthesis and characterization of two novel chiral-type formate frameworks templated by protonated diethylamine and ammonium cations
• Authors of publication: Mączka, Mirosław; Gągor, Anna; Hanuza, Jerzy; Pikul, Adam; Drozd, Marek
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 245
• Pages of publication: 23 - 29
• a: 8.1246 ± 0.0002 Å
• b: 8.1246 ± 0.0002 Å
• c: 7.0011 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 400.22 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No