Information card for entry 2019304

Structure parameters

• Chemical name: Tricarbonyl(pyridine-κ<i>N</i>){5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olato-κ^2^<i>N</i>^1^,<i>O</i>}rhenium(I)
• Formula: C26 H21 N4 O4 Re
• Calculated formula: C26 H21 N4 O4 Re
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([n]2ccccc2)[n]2cccc3c(ccc(c23)O1)N=Nc1c(cc(cc1C)C)C
• Title of publication: Distorted octahedral environments in tricarbonylrhenium(I) complexes of 5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olate and 5,7-bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olate
• Authors of publication: Schutte-Smith, Marietjie; Muller, Theunis J.; Visser, Hendrik G.; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1467 - 1471
• a: 23.723 ± 0.003 Å
• b: 6.7123 ± 0.0007 Å
• c: 14.8382 ± 0.0017 Å
• α: 90°
• β: 94.178 ± 0.004°
• γ: 90°
• Cell volume: 2356.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No