Information card for entry 4346923

Structure parameters

• Formula: C34 H58 O4 Re2
• Calculated formula: C34 H58 O4 Re2
• SMILES: O1[Re]23456(O[Re]789%1016(=O)[c]1([cH]%10[c]9([cH]8[c]71C(C)(C)C)C(C)(C)C)C(C)(C)C)(=O)[c]1([cH]5[c]4([cH]3[c]21C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Spectroscopic Characterization of a Monomeric, Cyclopentadienyl-Based Rhenium(V) Dioxo Complex.
• Authors of publication: Raju, Suresh; Jastrzebski, Johann T. B. H.; Lutz, Martin; Witteman, Léon; Dethlefsen, Johannes R.; Fristrup, Peter; Moret, Marc-Etienne; Gebbink, Robertus J M Klein
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 11031 - 11036
• a: 10.3141 ± 0.0012 Å
• b: 11.8978 ± 0.0011 Å
• c: 14.0341 ± 0.0012 Å
• α: 93.955 ± 0.005°
• β: 90.787 ± 0.006°
• γ: 90.472 ± 0.006°
• Cell volume: 1717.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No