Information card for entry 4339585

Structure parameters

• Formula: C24.5 H20 N2 O3.5 Re
• Calculated formula: C24.5 H20 N2 O3.5 Re
• SMILES: [Re]1([n]2c(ccc(c2)C)c2[n]1cc(cc2)C)(C#[O])(C#[O])(C#[O])C#Cc1ccccc1.O=C(C)C
• Title of publication: A thallium mediated route to sigma-arylalkynyl complexes of bipyridyltricarbonylrhenium(I).
• Authors of publication: Liddle, Brendan J.; Lindeman, Sergey V.; Reger, Daniel L.; Gardinier, James R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8484 - 8486
• a: 10.4542 ± 0.0005 Å
• b: 11.2095 ± 0.0006 Å
• c: 19.9781 ± 0.0011 Å
• α: 77.721 ± 0.003°
• β: 82.26 ± 0.002°
• γ: 73.989 ± 0.003°
• Cell volume: 2191.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0206
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No