Information card for entry 2238585

Structure parameters

• Chemical name: (2,2'-Bipyridine)chlorido[diethyl (2,2':6',2''-terpyridin-4-yl)phosphonate]ruthenium(II) hexafluoridophosphate acetonitrile/water solvate
• Formula: C30.66 H31.17 Cl F6 N5.83 O3.34 P2 Ru
• Calculated formula: C30.662 H31.169 Cl F6 N5.831 O3.338 P2 Ru
• Title of publication: (2,2'-Bipyridine)chlorido[diethyl (2,2':6',2''-terpyridin-4-yl)phosphonate]ruthenium(II) hexafluoridophosphate acetonitrile/water solvate
• Authors of publication: Chen, Weizhong; Rein, Francisca N.; Scott, Brian L.; Rocha, Reginaldo C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: m510 - m511
• a: 8.6367 ± 0.0014 Å
• b: 31.515 ± 0.005 Å
• c: 12.696 ± 0.002 Å
• α: 90°
• β: 100.155 ± 0.002°
• γ: 90°
• Cell volume: 3401.5 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• 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: 0.0792
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes