Information card for entry 4111546

Structure parameters

• Formula: C79 H143 Cl4 Cu3 F6 O6 P6 S2
• Calculated formula: C79 H143 Cl4 Cu3 F6 O6 P6 S2
• SMILES: [Cu]12[P](C3CCCCC3)(C3CCCCC3)C[P]([Cu]3[P](C4CCCCC4)(C4CCCCC4)C[P]([Cu]([H]23)[P](C2CCCCC2)(C2CCCCC2)C[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1.C(S(=O)(=O)[O-])(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F.C(Cl)Cl.C(Cl)Cl
• 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: 14.893 ± 0.003 Å
• b: 25.509 ± 0.005 Å
• c: 25.021 ± 0.005 Å
• α: 90°
• β: 94.5 ± 0.03°
• γ: 90°
• Cell volume: 9476 ± 3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 8
• 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: 0.1005
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No