Information card for entry 4320588

Structure parameters

• Formula: C30 H28 Cl2 Cu N6 O13
• Calculated formula: C30 H28 Cl2 Cu N6 O13
• Title of publication: Heterometallic Network Complexes of the Ambidentate, Extended-Reach Linear Ligand 1-(4'-pyridyl)pyridin-4-one
• Authors of publication: David M. L. Goodgame; David A. Grachvogel; Andrew J. P. White; David J. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6180 - 6185
• a: 6.3801 ± 0.0006 Å
• b: 19.874 ± 0.002 Å
• c: 12.9164 ± 0.0008 Å
• α: 90°
• β: 101.034 ± 0.005°
• γ: 90°
• Cell volume: 1607.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.1079
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No