Information card for entry 7026410

Structure parameters

• Formula: C19 H16 Cl N2 O5 Re
• Calculated formula: C19 H16 Cl N2 O5 Re
• SMILES: [Re]1(Cl)([N](=CC=[N]1c1ccc(OC)cc1)c1ccc(OC)cc1)(C#[O])(C#[O])C#[O]
• Title of publication: Rhenium(I) and platinum(II) complexes with diimine ligands bearing acidic phenol substituents: hydrogen-bonding, acid-base chemistry and optical properties.
• Authors of publication: Liu, Wei; Heinze, Katja
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9554 - 9564
• a: 7.0895 ± 0.0001 Å
• b: 11.2851 ± 0.0002 Å
• c: 12.3164 ± 0.0002 Å
• α: 97.414 ± 0.001°
• β: 97.224 ± 0.001°
• γ: 94.241 ± 0.001°
• Cell volume: 965.31 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections included in the refinement: 0.0351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No