Information card for entry 7055547

Structure parameters

• Formula: C63 H47 Cl2 F6 P3 Ru
• Calculated formula: C63 H47 Cl2 F6 P3 Ru
• Title of publication: Carbon-rich cyclopentadienyl ruthenium allenylidene complexes
• Authors of publication: Spörler, Susanne; Strinitz, Frank; Rodehutskors, Philipp; Müller, Lisa; Waterloo, Andreas R.; Dürr, Maximilian; Hübner, Eike; Ivanović-Burmazović, Ivana; Tykwinski, Rik R.; Burzlaff, Nicolai
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 6127
• a: 20.6123 ± 0.0006 Å
• b: 22.6218 ± 0.0006 Å
• c: 25.5409 ± 0.0007 Å
• α: 90°
• β: 105.389 ± 0.003°
• γ: 90°
• Cell volume: 11482.4 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No