Information card for entry 4349323

Structure parameters

• Formula: C91 H85 Cu3 O4 P6
• Calculated formula: C91 H85 Cu3 O4 P6
• SMILES: c1(ccccc1)[P]1(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Cu]2345[Cu]61([H]3[Cu]2([O]=C(C)O4)([P](C[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)C[P]6(c1ccccc1)c1ccccc1)OC(=O)C.c1ccccc1.c1ccccc1
• Title of publication: Synthesis, Characterization, and Reactivity of the Group 11 Hydrido Clusters [Ag₆H₄(dppm)₄(OAc)₂] and [Cu₃H(dppm)₃(OAc)₂].
• Authors of publication: Cook, Andrew W.; Nguyen, Thuy-Ai D; Buratto, William R.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12435 - 12440
• a: 13.493 ± 0.003 Å
• b: 43.365 ± 0.009 Å
• c: 13.796 ± 0.004 Å
• α: 90°
• β: 105.106 ± 0.007°
• γ: 90°
• Cell volume: 7793 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1101
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No