Information card for entry 4319875

Structure parameters

• Formula: C10 H15 O Re
• Calculated formula: C10 H15 O Re
• SMILES: [Re]123(=O)([C](#[C]1CCC[C]2#[C]3C)C)C
• Title of publication: Rhenium Oxo Complexes of a Chelating Diyne Ligand. Synthesis and Study of the Kinetics of Protonation
• Authors of publication: Yi Han; C. Jeff Harlan; Philipp Stoessel; Brian J. Frost; Jack R. Norton; Susie Miller; Brian Bridgewater; Qiang Xu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2942 - 2952
• a: 16.5689 ± 0.0001 Å
• b: 16.5689 ± 0.0001 Å
• c: 7.452 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2045.79 ± 0.03 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.0615
• Goodness-of-fit parameter for all reflections: 1.087
• Goodness-of-fit parameter for significantly intense reflections: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No