Information card for entry 8106200

Structure parameters

• Formula: C46 H82 Cu2 N2 P2 S4
• Calculated formula: C46 H82 Cu2 N2 P2 S4
• SMILES: [Cu]12([S](C(=[S]1)N1CCCC1)[Cu]1([S]2C(=[S]1)N1CCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Crystal structure of bis(μ 2-pyrrolidine-1-carbodithioato-κ 3 S,S′:S;κ 3 S:S:S′)-bis(tricyclohexylphosphane-P)-di-copper(I), C46H82Cu2N2P2S4
• Authors of publication: Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; 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: 513 - 515
• a: 11.6189 ± 0.0002 Å
• b: 12.2846 ± 0.0002 Å
• c: 18.1744 ± 0.0002 Å
• α: 97.321 ± 0.001°
• β: 106.308 ± 0.001°
• γ: 99.312 ± 0.002°
• Cell volume: 2415.65 ± 0.07 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: 0.0261
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No