Information card for entry 4337905

Structure parameters

• Formula: C2 H38 K8 O78 P2 Ru S W17
• Calculated formula: C1.308 H3.924 K5.58 O77.348 P2 Ru0.996 S0.654 W17.004
• Title of publication: Preparation and Redox Studies of α1- and α2-Isomers of Mono-Ru-Substituted Dawson-type Phosphotungstates with a DMSO Ligand: [α1/α2-P2W17O61Ru(II)(DMSO)](8-)
• Authors of publication: Ogo, Shuhei; Shimizu, Noriko; Nishiki, Kensuke; Yasuda, Nobuhiro; Mizuta, Tsutomu; Sano, Tsuneji; Sadakane, Masahiro
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3526
• a: 12.5844 ± 0.0005 Å
• b: 15.1035 ± 0.0006 Å
• c: 22.214 ± 0.0009 Å
• α: 97.996 ± 0.0014°
• β: 90.9513 ± 0.0015°
• γ: 112.943 ± 0.0012°
• Cell volume: 3838.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2547
• Weighted residual factors for all reflections included in the refinement: 0.2679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.83095 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No