Information card for entry 1512758

Structure parameters

• Formula: C18 H20 N2 Ni2 O12
• Calculated formula: C18 H16 N2 Ni2 O12
• 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: 22.186 ± 0.001 Å
• b: 6.731 ± 0.001 Å
• c: 7.575 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1131.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.85 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No