Information card for entry 7010088

Structure parameters

• Formula: C11 H11 Cl N O5 Re
• Calculated formula: C11 H11 Cl N O5 Re
• SMILES: [Re]1(Cl)([O](C(OC)c2[n]1cccc2)C)(C#[O])(C#[O])C#[O]
• Title of publication: Dynamic NMR investigations of fluxionality of 2-(dimethoxymethyl)pyridine and 2,6-bis(dimethoxymethyl)pyridine in rhenium(I) and platinum(IV) complexes †
• Authors of publication: Creber, Michel L.; Orrell, Keith G.; Osborne, Anthony G.; Šik, Vladimir; Hursthouse, Michael B.; Abdul Malik, K. M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 4218
• a: 6.7128 ± 0.0007 Å
• b: 8.2692 ± 0.0012 Å
• c: 12.497 ± 0.002 Å
• α: 90°
• β: 104.418 ± 0.011°
• γ: 90°
• Cell volume: 671.85 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections: 1.091
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No