Information card for entry 4305086

Structure parameters

• Formula: C24 H43 Cu N2 P2 S
• Calculated formula: C24 H43 Cu N2 P2 S
• SMILES: [Cu]1([P](Cc2nc(ccc2)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)N=C=S
• Title of publication: T-Shaped Cationic CuI Complexes with Hemilabile PNP-Type Ligands
• Authors of publication: Jarl Ivar van der Vlugt; Evgeny A. Pidko; Dieter Vogt; Martin Lutz; Anthony L. Spek; Auke Meetsma
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4442 - 4444
• a: 10.9216 ± 0.0001 Å
• b: 16.0363 ± 0.0002 Å
• c: 16.5209 ± 0.0002 Å
• α: 90°
• β: 109.366 ± 0.0008°
• γ: 90°
• Cell volume: 2729.8 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No