Information card for entry 4346765

Structure parameters

• Formula: C22 H16 Cl4 N3 O3 Re
• Calculated formula: C22 H16 Cl4 N3 O3 Re
• SMILES: [Re]1([N]#CC)(N(c2c(Cl)cccc2Cl)C(=CC(=[N]1c1c(Cl)cccc1Cl)C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Intramolecular C-C Bond Coupling of Nitriles to a Diimine Ligand in Group 7 Metal Tricarbonyl Complexes.
• Authors of publication: Yempally, Veeranna; Fan, Wai Yip; Arndtsen, Bruce A.; Bengali, Ashfaq A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11441 - 11449
• a: 23.2335 ± 0.0012 Å
• b: 15.1665 ± 0.0008 Å
• c: 15.4526 ± 0.0008 Å
• α: 90°
• β: 116.16 ± 0.002°
• γ: 90°
• Cell volume: 4887.3 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No