Information card for entry 2210171

Structure parameters

• Chemical name: {2-[N-Benzyl-N- (diphenylphosphinomethyl)amino]pyridine}tricarbonylchlororhenium(I)
• Formula: C28 H23 Cl N2 O3 P Re
• Calculated formula: C28 H23 Cl N2 O3 P Re
• SMILES: [Re]1([P](c2ccccc2)(c2ccccc2)CN(c2[n]1cccc2)Cc1ccccc1)(Cl)(C#[O])(C#[O])C#[O]
• Title of publication: {2-[<i>N</i>-Benzyl-<i>N</i>-(diphenylphosphinomethyl)amino]pyridine}tricarbonylchlororhenium(I)
• Authors of publication: Qing-Shan Li; Yong-Jian Zhao; Feng-Bo Xu; Hai-Bin Song; Zheng-Zhi Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2366 - m2367
• a: 10.671 ± 0.005 Å
• b: 20.789 ± 0.01 Å
• c: 12.097 ± 0.006 Å
• α: 90°
• β: 100.204 ± 0.007°
• γ: 90°
• Cell volume: 2641 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes