Information card for entry 4114089

Structure parameters

• Formula: C53 H94 B Cl2 Cu F4 N2 P4 Pt
• Calculated formula: C53 H92 B Cl2 Cu F4 N2 P4 Pt
• SMILES: [Pt]12([Cu]([P](C3CCCCC3)(C3CCCCC3)C[P]2(C2CCCCC2)C2CCCCC2)[P](C2CCCCC2)(C2CCCCC2)C[P]1(C1CCCCC1)C1CCCCC1)(C#N)C#N.[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Metal-Metal Interactions in Heterobimetallic d8-d10 Complexes. Structures and Spectroscopic Investigation of [M'M''(μ-dcpm)2(CN)2]+ (M' = Pt, Pd; M'' = Cu, Ag, Au) and Related Complexes by UV-vis Absorption and Resonance Raman Spectroscopy and ab Initio Calculations
• Authors of publication: Bao-Hui Xia; Hong-Xing Zhang; Chi-Ming Che; King-Hung Leung; David Lee Phillips; Nianyong Zhu; Zhong-Yuan Zhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10362 - 10374
• a: 16.4799 ± 0.0015 Å
• b: 19.3868 ± 0.0017 Å
• c: 19.1861 ± 0.0017 Å
• α: 90°
• β: 94.761 ± 0.002°
• γ: 90°
• Cell volume: 6108.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.1252
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No