Information card for entry 4316091

Structure parameters

• Formula: C32 H59 Cu4 N4 Na O26 S4
• Calculated formula: C32 H59 Cu4 N4 Na O26 S4
• Title of publication: Bringing an "Old" Biological Buffer to Coordination Chemistry: New 1D and 3D Coordination Polymers with [Cu4(Hbes)4] Cores for Mild Hydrocarboxylation of Alkanes
• Authors of publication: Alexander M. Kirillov; Jaime A. S. Coelho; Marina V. Kirillova; M. Fátima C. Guedes da Silva; Dmytro S. Nesterov; Katrin R. Gruenwald; Matti Haukka; Armando J. L. Pombeiro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6390 - 6392
• a: 18.6049 ± 0.0012 Å
• b: 21.0872 ± 0.0011 Å
• c: 14.0954 ± 0.0009 Å
• α: 90°
• β: 118.396 ± 0.002°
• γ: 90°
• Cell volume: 4864.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No