Information card for entry 7110881

Structure parameters

• Formula: C6 H6 Cu I N2 O
• Calculated formula: C6 H6 Cu I N2 O
• Title of publication: Deliberate combination of coordination polymers and hydrogen bonds in a supramolecular design strategy for inorganic/organic hybrid networks
• Authors of publication: Aakeröy, Christer B.; Beatty, Alicia M.; Leinen, Destin S.; Lorimer, Keith R.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 935
• a: 13.5444 ± 0.0013 Å
• b: 4.1098 ± 0.0004 Å
• c: 15.094 ± 0.0014 Å
• α: 90°
• β: 105.583 ± 0.002°
• γ: 90°
• Cell volume: 809.32 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0268
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No