Information card for entry 4329093

Structure parameters

• Formula: C31 H67 Cu4 Li N4 O29 S4
• Calculated formula: C31 H57 Cu4 Li N4 O29 S4
• Title of publication: Topologically Unique Heterometallic CuII/Li Coordination Polymers Self-Assembled from N,N-bis(2-Hydroxyethyl)-2-aminoethanesulfonic Acid Biobuffer: Versatile Catalyst Precursors for Mild Hydrocarboxylation of Alkanes to Carboxylic Acids
• Authors of publication: Marina V. Kirillova; Alexander M. Kirillov; André N. C. Martins; Claudia Graiff; Antonio Tiripicchio; Armando J. L. Pombeiro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5224 - 5234
• a: 19.137 ± 0.005 Å
• b: 20.483 ± 0.005 Å
• c: 14.562 ± 0.003 Å
• α: 90°
• β: 117.006 ± 0.004°
• γ: 90°
• Cell volume: 5086 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No