Information card for entry 4321181

Structure parameters

• Formula: C20 H32 Cl4 Cu2 N8
• Calculated formula: C20 H32 Cl4 Cu2 N8
• SMILES: c1(cc([nH][n]1[Cu]1([n]2c(cc(C)[nH]2)C)([Cl][Cu]([n]2c(cc(C)[nH]2)C)([n]2c(cc([nH]2)C)C)([Cl]1)Cl)Cl)C)C
• Title of publication: Formation of a Tetranuclear Copper (II) Cluster Assembled by Metal-Assisted Hydrolysis and Desulfurization of Bis(3,5-dimethylpyrazolyl)methylphosphine Sulfide, MeP(S)(3,5-Me2Pz)2#
• Authors of publication: V. Chandrasekhar; S. Kingsley; A. Vij; K. C. Lam; A. L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3238 - 3242
• a: 8.7137 ± 0.0008 Å
• b: 13.5493 ± 0.0014 Å
• c: 11.8847 ± 0.0012 Å
• α: 90°
• β: 106.179 ± 0.002°
• γ: 90°
• Cell volume: 1347.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No