Information card for entry 4075954

Structure parameters

• Formula: C26 H38 Cl N P2 Pd
• Calculated formula: C26 H38 Cl N P2 Pd
• SMILES: [Pd]12([P](c3c4c(ccc3)CCc3cccc([P]1(C(C)C)C(C)C)c3N24)(C(C)C)C(C)C)Cl
• Title of publication: Competitive Activation of N−C and C−H Bonds of the PNP Framework by Monovalent Rhodium and Iridium
• Authors of publication: Weng, Wei; Guo, Chengyun; Moura, Claudia; Yang, Lin; Foxman, Bruce M.; Ozerov, Oleg V.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 14
• Pages of publication: 3487
• a: 12.668 ± 0.009 Å
• b: 10.292 ± 0.003 Å
• c: 20.922 ± 0.004 Å
• α: 90°
• β: 100.06 ± 0.03°
• γ: 90°
• Cell volume: 2686 ± 2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.1125
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No