Information card for entry 7212611

Structure parameters

• Common name: (1,1'-di(propinate)-2,2'-biimidazole)cadmium(ii) (aqua)
• Chemical name: [1,1'-di(propinate)-2,2'-biimidazole]cadmium(II) (aqua)
• Formula: C12 H14 Cd N4 O5
• Calculated formula: C12 H14 Cd N4 O5
• Title of publication: Helix-based supramolecular isomerism of metal‒organic framework
• Authors of publication: Sang, Rui-Li; Xu, Li
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3579
• a: 8.44 ± 0.0005 Å
• b: 9.8301 ± 0.0006 Å
• c: 18.3307 ± 0.0011 Å
• α: 90°
• β: 116.651 ± 0.004°
• γ: 90°
• Cell volume: 1359.25 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No