Information card for entry 4312061

Structure parameters

• Formula: C36 H80 Co2 Cu2 N12 Ni O16 S4
• Calculated formula: C36 H80 Co2 Cu2 N12 Ni O16 S4
• Title of publication: Assembling Novel Heterotrimetallic Cu/Co/Ni and Cu/Co/Cd Cores Supported by Diethanolamine Ligand in One-Pot Reactions of Zerovalent Copper with Metal Salts
• Authors of publication: Dmytro S. Nesterov; Valeriya G. Makhankova; Olga Yu. Vassilyeva; Vladimir N. Kokozay; Larisa A. Kovbasyuk; Brian W. Skelton; Julia Jezierska
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7868 - 7876
• a: 12.3328 ± 0.0009 Å
• b: 10.2011 ± 0.0008 Å
• c: 22.653 ± 0.002 Å
• α: 90°
• β: 104.056 ± 0.002°
• γ: 90°
• Cell volume: 2764.6 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.074
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No