Information card for entry 2017283

Structure parameters

• Chemical name: <i>catena</i>-poly[{μ~3~-2,2'-[(2-methyl-2-nitropropane-1,3- diyl)diimino]diacetato}copper(II)‒methanol‒water (1/0.45/0.55)
• Formula: C8.45 H15.9 Cu N3 O7
• Calculated formula: C8.45 H14 Cu N3 O7
• Title of publication: A bis(amine‒carboxylate) copper(II) coordination compound forms a two-dimensional metal‒organic framework when crystallized from water and methanol
• Authors of publication: Munro, Orde Q.; Akerman, Matthew P.; Gillham, Kate
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m343 - m346
• a: 13.0407 ± 0.0016 Å
• b: 8.0578 ± 0.0015 Å
• c: 13.383 ± 0.002 Å
• α: 90°
• β: 115.726 ± 0.016°
• γ: 90°
• Cell volume: 1266.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes