Information card for entry 2015099

Structure parameters

• Chemical name: Dichlorooxo(quinoline-8-thiolato-κ^2^N,S)(triphenylphosphine oxide-κO)rhenium(V) acetone solvate
• Formula: C30 H27 Cl2 N O3 P Re S
• Calculated formula: C30 H27 Cl2 N O3 P Re S
• SMILES: [Re]1(Cl)(Cl)(Sc2cccc3ccc[n]1c23)(=O)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C
• Title of publication: Dichlorooxo(quinoline-8-thiolato-κ^2^<i>N</i>,<i>S</i>)(triphenylphosphine oxide-κ<i>O</i>)rhenium(V) acetone solvate
• Authors of publication: Yoshitaro Miyashita; Tetuya Ohashi; Akiomi Imai; Nagina Amir; Kiyoshi Fujisawa; Ken-ichi Okamoto
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m476 - m478
• a: 11.569 ± 0.003 Å
• b: 15.152 ± 0.007 Å
• c: 17.66 ± 0.008 Å
• α: 90°
• β: 103.9 ± 0.03°
• γ: 90°
• Cell volume: 3005 ± 2 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes