Information card for entry 7009747

Structure parameters

• Formula: C7 H7 Cl Cu N O2
• Calculated formula: C7 H7 Cl Cu 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: 3.8105 ± 0.0016 Å
• b: 15.819 ± 0.007 Å
• c: 13.311 ± 0.006 Å
• α: 90°
• β: 96.045 ± 0.007°
• γ: 90°
• Cell volume: 797.9 ± 0.6 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: 0.1101
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No