Information card for entry 4339589

Structure parameters

• Formula: C27 H22 N5 O3 Re
• Calculated formula: C27 H22 N5 O3 Re
• SMILES: [Re]1([n]2ccc(cc2c2[n]1ccc(c2)C)C)(C#[O])(C#[O])(C#[O])C#Cc1c(N)c(n2nccc2)cc(c1)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: 16.4742 ± 0.0004 Å
• b: 14.2705 ± 0.0003 Å
• c: 21.3045 ± 0.0005 Å
• α: 90°
• β: 91.849 ± 0.001°
• γ: 90°
• Cell volume: 5006 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No