Information card for entry 4313719

Structure parameters

• Common name: Ni5(etpda)4Cl2
• Formula: C82 H82 Cl20 N20 Ni5
• Calculated formula: C82.001 H77.722 Cl20 N20 Ni5
• Title of publication: Additional Steps toward Molecular Scale Wires: Further Study of Ni510/11+ Chains Embraced by Polypyridylamide Ligands
• Authors of publication: John F. Berry; F. Albert Cotton; Peng Lei; Tongbu Lu; Carlos A. Murillo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3534 - 3539
• a: 16.7407 ± 0.0019 Å
• b: 26.753 ± 0.003 Å
• c: 22.584 ± 0.003 Å
• α: 90°
• β: 95.167 ± 0.002°
• γ: 90°
• Cell volume: 10073 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No