Information card for entry 1512759

Structure parameters

• Formula: C20 H24 N2 Ni2 O13
• Calculated formula: C20 H18 N2 Ni2 O13
• Title of publication: Synthesis and characterization of expected and unexpected topologies of homochiral porous metal(II) malate frameworks
• Authors of publication: Maxim P. Yutkin; Marina S. Zavakhina; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 367 - 372
• a: 23.6987 ± 0.0006 Å
• b: 9.6879 ± 0.0002 Å
• c: 10.4569 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2400.81 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.026
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No