Information card for entry 8106908

Structure parameters

• Formula: C43 H34 N O8 P Re2 S2
• Calculated formula: C43 H34 N O8 P Re2 S2
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S](c2ccccc2OC)[Re](C#[O])(C#[O])(C#[O])([n]2ccccc2)[S]1c1ccccc1OC
• Title of publication: Crystal structure of hexacarbonyl bis(μ2-2-methoxybenzenethiolato-κ2 S)pyridine(triphenylphosphane)dirhenium(I), C43H34NO8PS2Re2
• Authors of publication: Nkoe, Pheello Isaac; Koen, Renier; Brink, Alice; Schutte-Smith, Marietjie
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 461 - 464
• a: 12.165 ± 0.008 Å
• b: 19.027 ± 0.011 Å
• c: 18.848 ± 0.014 Å
• α: 90°
• β: 108.735 ± 0.002°
• γ: 90°
• Cell volume: 4131 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No