Information card for entry 4323900

Structure parameters

• Formula: C67 H67 N2 O2 Ru Sn2
• Calculated formula: C67 H64 N2 O2 Ru Sn2
• Title of publication: Bonding Properties of a Novel Inorganometallic Complex, Ru(SnPh3)2(CO)2(iPr-DAB) (iPr-DAB =N,N'-Diisopropyl-1,4-diaza-1,3-butadiene), and its Stable Radical-Anion, Studied by UV-Vis, IR, and EPR Spectroscopy, (Spectro-) Electrochemistry, and Density Functional Calculations
• Authors of publication: Maxim P. Aarnts; Maikel P. Wilms; Karin Peelen; Jan Fraanje; Kees Goubitz; František Hartl; Derk J. Stufkens; Evert Jan Baerends; Antonín Vlček
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 5468 - 5477
• a: 11.662 ± 0.006 Å
• b: 13.902 ± 0.003 Å
• c: 19.634 ± 0.002 Å
• α: 71.24 ± 0.02°
• β: 86.91 ± 0.04°
• γ: 77.89 ± 0.03°
• Cell volume: 2946.7 ± 1.7 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.12
• Weighted residual factors for all reflections: 0.179
• Weighted residual factors for significantly intense reflections: 0.179
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.045
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No