Information card for entry 4084213

Structure parameters

• Formula: C15 H8 Cl N2 O3 Re
• Calculated formula: C15 H8 Cl N2 O3 Re
• SMILES: [Re]1(Cl)([n]2c(ccc(C#C)c2)c2[n]1cccc2)(C#[O])(C#[O])C#[O]
• Title of publication: Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes
• Authors of publication: Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4911
• a: 10.5244 ± 0.0002 Å
• b: 10.0443 ± 0.0002 Å
• c: 14.9307 ± 0.0002 Å
• α: 90°
• β: 107.597 ± 0.002°
• γ: 90°
• Cell volume: 1504.47 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.788
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No