Information card for entry 4327123

Structure parameters

• Chemical name: bis(6-tert-butyl-3(2H)-pyridazinethionato-S)-chloro-(tricyclohexylphos- phine)-copper(I)
• Formula: C34 H57 Cl Cu N4 P S2
• Calculated formula: C34 H57 Cl Cu N4 P S2
• SMILES: [Cu](Cl)([S]=c1[nH]nc(cc1)C(C)(C)C)([S]=c1[nH]nc(cc1)C(C)(C)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Pyridazine Based Scorpionate Ligand in a Copper Boratrane Compound
• Authors of publication: Gernot Nuss; Gerald Saischek; Bastian N. Harum; Manuel Volpe; Ferdinand Belaj; Nadia C. Mösch-Zanetti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12632 - 12640
• a: 9.7963 ± 0.0004 Å
• b: 9.9745 ± 0.0004 Å
• c: 19.2362 ± 0.0008 Å
• α: 82.217 ± 0.002°
• β: 81.372 ± 0.002°
• γ: 85.079 ± 0.002°
• Cell volume: 1837.12 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No