Information card for entry 7009748

Structure parameters

• Formula: C7 H7 Cu I N O2
• Calculated formula: C7 H7 Cu I N O2
• Title of publication: Assembly of 2-D inorganic/organic lamellar structures through a combination of copper(I) coordination polymers and self-complementary hydrogen bonds †
• Authors of publication: Aakeröy, Christer B.; Beatty, Alicia M.; Lorimer, Keith R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 3869
• a: 4.0964 ± 0.0011 Å
• b: 13.656 ± 0.005 Å
• c: 16.114 ± 0.005 Å
• α: 90°
• β: 92.225 ± 0.006°
• γ: 90°
• Cell volume: 900.7 ± 0.5 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: 0.0757
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No