Information card for entry 4339284

Structure parameters

• Formula: C24 H16 Br N4 O6 Re
• Calculated formula: C24 H16 Br N4 O6 Re
• SMILES: Br[Re]1(C#[O])(C#[O])(C#[O])[n]2cccc3c(cc4ccc[n]1c4c23)NC(=O)c1c(c(ccc1)O)O.C(#N)C
• Title of publication: Synthesis, characterization, solid-state structures, and spectroscopic properties of two catechol-based luminescent chemosensors for biologically relevant oxometalates.
• Authors of publication: Batey, Helen D.; Whitwood, Adrian C.; Duhme-Klair, Anne-K
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6516 - 6528
• a: 7.3389 ± 0.0006 Å
• b: 12.8693 ± 0.001 Å
• c: 13.8173 ± 0.0011 Å
• α: 70.464 ± 0.002°
• β: 86.758 ± 0.002°
• γ: 76.554 ± 0.002°
• Cell volume: 1195.84 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No