Information card for entry 7216888

Structure parameters

• Chemical name: 2,6-bis[(5'-diphenylphosphino)-2'-thienyl]pyridine
• Formula: C37 H27 N P2 S2
• Calculated formula: C37 H27 N P2 S2
• SMILES: s1c(P(c2ccccc2)c2ccccc2)ccc1c1nc(ccc1)c1sc(P(c2ccccc2)c2ccccc2)cc1
• Title of publication: Novel diphenylphosphine derivatives of 2,2′-bithiophene, 2,2′:5′,2″-terthiophene, 2-(2′-thienyl)pyridine and 2,6-di-2′-thienylpyridine. Crystal structures of 5,5′-bis(diphenylphosphino)-2,2′-bithiophene, diphenyl{5-[6′-(diphenylphosphino)-2′-pyridyl]-2-thienyl}phosphine and 2,6-bis[5′-(diphenylphosphino)-2′-thienyl]pyridine
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 3352
• a: 9.032 ± 0.002 Å
• b: 13.312 ± 0.003 Å
• c: 13.577 ± 0.003 Å
• α: 85.853 ± 0.018°
• β: 82.694 ± 0.019°
• γ: 73.772 ± 0.018°
• Cell volume: 1553.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No