Information card for entry 4320104

Structure parameters

• Formula: C44 H50 B Cu P2 S2
• Calculated formula: C44 H48 B Cu P2 S2
• Title of publication: Structural Diversity in a Family of Copper(I) Thioether Complexes
• Authors of publication: Carl Ohrenberg; Louise M. Liable-Sands; Arnold L. Rheingold; Charles G. Riordan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4276 - 4283
• a: 12.9902 ± 0.0002 Å
• b: 14.8748 ± 0.0003 Å
• c: 21.4937 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4153.16 ± 0.13 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.1334
• Weighted residual factors for significantly intense reflections: 0.0996
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No