Information card for entry 7011802

Structure parameters

• Formula: C24 H36 N4 P2 Pd
• Calculated formula: C24 H36 N4 P2 Pd
• SMILES: [Pd](N=C=Nc1c(cccc1C)C)([P](C)(C)C)([P](C)(C)C)N=C=Nc1c(cccc1C)C
• Title of publication: Synthesis, structures and properties of bis(carbodiimido) complexes of Ni(ii), Pd(ii) and Pt(ii)
• Authors of publication: Kim, Yong-Joo; Joo, Young-Seon; Han, Jin-Taek; Han, Won Seok; Lee, Soon W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 3611
• a: 12.79 ± 0.003 Å
• b: 13.92 ± 0.003 Å
• c: 17.037 ± 0.003 Å
• α: 90°
• β: 110.279 ± 0.006°
• γ: 90°
• Cell volume: 2845.2 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0835
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No