Information card for entry 4114091

Structure parameters

• Formula: C54 H100 Au Cl N2 Ni O6 P4
• Calculated formula: C54 H92 Au Cl N2 Ni O6 P4
• SMILES: [Au]12[Ni]([P](C[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C[P]2(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#N)C#N.CO.CO.Cl(=O)(=O)(=O)[O-]
• 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: 13.561 ± 0.003 Å
• b: 19.339 ± 0.004 Å
• c: 23.767 ± 0.005 Å
• α: 90°
• β: 97.58 ± 0.03°
• γ: 90°
• Cell volume: 6179 ± 2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No