Information card for entry 8106191

Structure parameters

• Formula: C24 H36 N2 O6 Re2 S4
• Calculated formula: C24 H36 N2 O6 Re2 S4
• SMILES: [Re]12([S]=C([S]1[Re]1([S]=C([S]21)N(CCCC)CCCC)(C#[O])(C#[O])C#[O])N(CCCC)CCCC)(C#[O])(C#[O])C#[O]
• Title of publication: Crystal structure of bis(μ2-di-n-butyldithiocarbamato-κ3 S,S′:S;κ3 S:S:S′)-hexacarbonyl-di-rhenium(I), C24H36N2O6Re2
• Authors of publication: Heard, Peter J.; Halcovitch, Nathan R.; Mun, Lee See; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 485 - 487
• a: 10.3013 ± 0.0002 Å
• b: 11.3471 ± 0.0002 Å
• c: 14.5967 ± 0.0003 Å
• α: 72.54 ± 0.002°
• β: 73.074 ± 0.002°
• γ: 85.369 ± 0.002°
• Cell volume: 1557.05 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0256
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No