Information card for entry 4306583

Structure parameters

• Formula: C107 H111 Ag Cu P3 S3
• Calculated formula: C107 H111 Ag Cu P3 S3
• SMILES: [Ag]1([P](c2ccc(cc2)C)(c2ccc(cc2)C)c2ccc(cc2)C)([P](c2ccc(cc2)C)(c2ccc(cc2)C)c2ccc(cc2)C)[S]2C(=C3c4c(c5ccc(cc35)C(C)(C)C)ccc(c4)C(C)(C)C)S[Cu]([P](c3ccc(cc3)C)(c3ccc(cc3)C)c3ccc(cc3)C)[S]1C2=C1c2cc(ccc2c2ccc(cc12)C(C)(C)C)C(C)(C)C
• Title of publication: Dinuclear Copper(I) and Copper(I)/Silver(I) Complexes with Condensed Dithiolato Ligands1
• Authors of publication: José Vicente; Pablo González-Herrero; Yolanda García-Sánchez; Delia Bautista
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10662 - 10673
• a: 14.2036 ± 0.0008 Å
• b: 19.64 ± 0.0012 Å
• c: 32.886 ± 0.002 Å
• α: 90°
• β: 95.224 ± 0.002°
• γ: 90°
• Cell volume: 9135.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0694
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No