Information card for entry 7013282

Structure parameters

• Common name: ((Cu(cdc)!2$(OH!2$)) * H!2$O)!\ιnfty$
• Formula: C8 H8 Cu N6 O4
• Calculated formula: C8 H8 Cu N6 O4
• Title of publication: Structural characterisation of a water intercalated bis-amide tecton and copper promoted monohydration of a dinitrile
• Authors of publication: Bjernemose, Jens K.; McKenzie, Christine J.; Raithby, Paul R.; Teat, Simon J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 13
• Pages of publication: 2639
• a: 7.223 ± 0.0005 Å
• b: 7.438 ± 0.0005 Å
• c: 11.591 ± 0.0011 Å
• α: 77.727 ± 0.004°
• β: 80.513 ± 0.004°
• γ: 74.16 ± 0.006°
• Cell volume: 581.59 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No