Information card for entry 4331598

Structure parameters

• Formula: C36 H28 N4 P2
• Calculated formula: C36 H28 N4 P2
• SMILES: n1c(n(cc1)c1cccc(n2c(ncc2)P(c2ccccc2)c2ccccc2)c1)P(c1ccccc1)c1ccccc1
• Title of publication: P(CH)P Pincer Rhodium(I) Complexes: The Key Role of Electron-Poor Imidazoliophosphine Extremities
• Authors of publication: Cécile Barthes; Christine Lepetit; Yves Canac; Carine Duhayon; Davit Zargarian; Remi Chauvin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 48 - 58
• a: 10.1714 ± 0.0008 Å
• b: 20.5363 ± 0.0013 Å
• c: 15.1935 ± 0.0009 Å
• α: 90°
• β: 109.556 ± 0.003°
• γ: 90°
• Cell volume: 2990.6 ± 0.4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 4
• 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: 0.0698
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No