Information card for entry 7012908

Structure parameters

• Formula: C24 H48 Ba6 Cr4 O72
• Calculated formula: C24 H48 Ba6 Cr4 O72
• Title of publication: Unusual aquation of Ba2+ ions in the solid state: synthesis and X-ray structural and spectroscopic characterization of the novel polymeric complex salt of empirical formula {Ba6(H2O)17[Cr(ox)3]4}·7H2O (ox = oxalate dianion)
• Authors of publication: Michel M. Bélombé; Justin Nenwa; Yves-A. Mbiangué; Germain Evina Nnanga; Israël-M. Mbomekallé; Evamarie Hey-Hawkins; Peter Lönnecke; Félicité Majoumo
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2117 - 2118
• a: 10.9413 ± 0.0006 Å
• b: 17.5954 ± 0.001 Å
• c: 18.5773 ± 0.001 Å
• α: 88.85 ± 0.001°
• β: 85.813 ± 0.001°
• γ: 76.546 ± 0.001°
• Cell volume: 3469 ± 0.3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No