Information card for entry 4312399

Structure parameters

• Formula: C46 H50 Cl5 F6 N4 P5 Pd2
• Calculated formula: C46 H50 Cl5 F6 N4 P5 Pd2
• SMILES: [Pd]13([Cl][Pd]([P](C[P]1(n1cccc1)n1cccc1)(c1ccccc1)c1ccccc1)([P](n1cccc1)(n1cccc1)C[P]3(c1ccccc1)c1ccccc1)C)C.ClCCl.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Diphosphines Possessing Electronically Different Donor Groups: Synthesis and Coordination Chemistry of the Unsymmetrical Di(N-pyrrolyl)phosphino-Functionalized dppm Analogue Ph2PCH2P(NC4H4)2
• Authors of publication: Andrew D. Burrows; Mary F. Mahon; Steven P. Nolan; Maurizio Varrone
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7227 - 7238
• a: 13.325 ± 0.0003 Å
• b: 15.102 ± 0.0003 Å
• c: 15.154 ± 0.0003 Å
• α: 65.136 ± 0.001°
• β: 83.041 ± 0.001°
• γ: 77.135 ± 0.001°
• Cell volume: 2696.08 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No