Information card for entry 7110957

Structure parameters

• Common name: Bis(diphenylphosphino)methane-terpyridyl Pd complex
• Chemical name: Bis(diphenylphosphino)methane-terpyridyl Pd(II) complex
• Formula: C80 H60 N6 P4 Pd
• Calculated formula: C80 H60 N6 P4 Pd
• SMILES: [P]1([Pd]2(P(c3ccccc3)(=C([P]2(c2ccccc2)c2ccccc2)c2cc(c3ncccc3)nc(c2)c2ccccn2)c2ccccc2)P(=C1c1cc(c2ccccn2)nc(c1)c1ncccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and coordinative properties of a hybrid bis(diphenylphosphino)methane‒terpyridine
• Authors of publication: Pickaert, Guillaume; Douce, Laurent; Ziessel, Raymond; Cesario, Michèle
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 1125
• a: 11.477 ± 0.004 Å
• b: 25.327 ± 0.009 Å
• c: 11.595 ± 0.005 Å
• α: 90°
• β: 98.54 ± 0.04°
• γ: 90°
• Cell volume: 3333 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No