Information card for entry 7023167

Structure parameters

• Formula: C15 H10 Br N2 O4 Re
• Calculated formula: C15 H10 Br N2 O4 Re
• SMILES: Br[Re]1(C#[O])(C#[O])(C#[O])[n]2ccccc2C=[N]1c1ccc(cc1)O
• Title of publication: The synthesis and pH-dependent behaviour of Re(CO)3 conjugates with diimine phenolic ligands.
• Authors of publication: Chanawanno, Kullapa; Engle, James T.; Le, Kevin X.; Herrick, Richard S.; Ziegler, Christopher J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13679 - 13684
• a: 12.4869 ± 0.0015 Å
• b: 9.2091 ± 0.0011 Å
• c: 13.9549 ± 0.0016 Å
• α: 90°
• β: 100.146 ± 0.001°
• γ: 90°
• Cell volume: 1579.6 ± 0.3 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: 0.0443
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No