Information card for entry 4328065

Structure parameters

• Formula: C36 H71.91 Cl0.416 Co6.584 N23 O51.12 Pr2.416
• Calculated formula: C36 H69 Cl0.416 Co6.584 N23 O49.41 Pr2.416
• Title of publication: 2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry: Homometallic and Heterometallic Clusters
• Authors of publication: George J. Sopasis; Maria Orfanoudaki; Pavlos Zarmpas; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Constantinos J. Milios
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1170 - 1179
• a: 14.972 ± 0.004 Å
• b: 14.972 ± 0.004 Å
• c: 22.3 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4329 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No