Information card for entry 4312800

Structure parameters

• Common name: [Cu(I)(dmp)2]Calix
• Chemical name: bis-(2,9-dimethyl-1,10-phenanthroline)copper(I) calix[4]arenate
• Formula: C56 H47 Cu N4 O4
• Calculated formula: C56 H47 Cu N4 O4
• Title of publication: Solid-State Structure Dependence of the Molecular Distortion and Spectroscopic Properties of the Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Ion
• Authors of publication: Andrey Yu. Kovalevsky; Milan Gembicky; Irina V. Novozhilova; Philip Coppens
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8794 - 8802
• a: 8.8004 ± 0.0001 Å
• b: 23.2875 ± 0.0003 Å
• c: 21.1354 ± 0.0003 Å
• α: 90°
• β: 101.831 ± 0.001°
• γ: 90°
• Cell volume: 4239.46 ± 0.1 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 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: 0.0535
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No