Information card for entry 7011804

Structure parameters

• Formula: C28 H44 N4 P2 Pd
• Calculated formula: C28 H44 N4 P2 Pd
• SMILES: [Pd](N=C=Nc1c(cccc1CC)CC)([P](C)(C)C)([P](C)(C)C)N=C=Nc1c(cccc1CC)CC
• 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: 12.191 ± 0.002 Å
• b: 16.58 ± 0.004 Å
• c: 16.66 ± 0.005 Å
• α: 90°
• β: 109.926 ± 0.015°
• γ: 90°
• Cell volume: 3165.8 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0906
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No