Information card for entry 4116919

Structure parameters

• Formula: C28 H48 Cl2 N12 Pd2
• Calculated formula: C28 H48 Cl2 N12 Pd2
• SMILES: C1CCN2C3=[N]1[Pd]145(Cl)[N]6CCCN7CCCN(C=67)[Pd]5(Cl)([N]5CCCN6CCCN4C=56)([N]4CCCN5CCCN1C=45)N3CCC2
• Title of publication: The First Dinuclear Complex of Palladium(III)
• Authors of publication: F. Albert Cotton; Jiande Gu; Carlos A. Murillo; Daren J. Timmons
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 13280 - 13281
• a: 10.502 ± 0.003 Å
• b: 10.502 ± 0.003 Å
• c: 14.5 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1599.2 ± 1.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.0917
• Goodness-of-fit parameter for all reflections: 1.392
• Goodness-of-fit parameter for significantly intense reflections: 1.428
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No