Information card for entry 2015862

Structure parameters

• Chemical name: Aquabis(3-methoxy-2-pyridonato)(2,2':6',2''- terpyridine)ruthenium(II)‒acetonitrile‒water (1/1/1)
• Formula: C29 H30 N6 O6 Ru
• Calculated formula: C29 H29.658 N6 O6 Ru
• Title of publication: Aquabis(3-methoxy-2-pyridonato)(2,2':6',2''-terpyridine)ruthenium(II)‒acetonitrile‒water (1/1/1)
• Authors of publication: Kelson, Eric P.; Dean, Norman S.; Algarín, Edgar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m108 - m110
• a: 9.5695 ± 0.001 Å
• b: 13.895 ± 0.0016 Å
• c: 22.229 ± 0.003 Å
• α: 90°
• β: 101.72 ± 0.009°
• γ: 90°
• Cell volume: 2894.1 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes