Information card for entry 4111544

Structure parameters

• Formula: C75 H139 B2 Cu3 F8 P6
• Calculated formula: C75 H139 B2 Cu3 F8 P6
• SMILES: [Cu]12[P](C3CCCCC3)(C3CCCCC3)C[P](C3CCCCC3)(C3CCCCC3)[Cu]3([H]1[Cu]([P](C1CCCCC1)(C1CCCCC1)C[P]3(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C[P]2(C1CCCCC1)C1CCCCC1).[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex
• Authors of publication: Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 4562 - 4563
• a: 25.802 ± 0.005 Å
• b: 15.758 ± 0.003 Å
• c: 22.786 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9265 ± 3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No