Information card for entry 4306630

Structure parameters

• Common name: in paper 5
• Formula: C41 H82 Cu2 N4 P2 Si4
• Calculated formula: C41 H82 Cu2 N4 P2 Si4
• SMILES: [Cu]12([N](=P(N1[Si](C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C)(C)C)[Cu]1([N](=P(N1[Si](C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C)(C)C)C2(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Molecular Structures, and Reactivity of Mono- and Binuclear Neutral Copper(I) Carbenes
• Authors of publication: Peter Hofmann; Igor V. Shishkov; Frank Rominger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11755 - 11762
• a: 11.5457 ± 0.0006 Å
• b: 26.9652 ± 0.0014 Å
• c: 15.9658 ± 0.0008 Å
• α: 90°
• β: 94.153 ± 0.001°
• γ: 90°
• Cell volume: 4957.6 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No