Information card for entry 4083436

Structure parameters

• Formula: C49 H47 B O Ru
• Calculated formula: C49 H47 B O Ru
• SMILES: O(CC)[c]12[c]34[Ru]56789%10%111([c]1([cH]5[cH]6[c]7([cH]8[cH]91)C)C(C)C)[c]12[c]%10(cccc1)[c]4%11cccc3.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Preparation of (η5-Alkoxyfluorenyl)(η6-p-Cymene)-Sandwich Ruthenium(II) Complexes
• Authors of publication: Albertin, Gabriele; Antoniutti, Stefano; Callegaro, Fabio; Castro, Jesús
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4475 - 4479
• a: 12.0598 ± 0.0005 Å
• b: 14.7273 ± 0.0008 Å
• c: 21.7163 ± 0.0011 Å
• α: 82.678 ± 0.003°
• β: 80.261 ± 0.002°
• γ: 88.684 ± 0.003°
• Cell volume: 3770.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4069680
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No