Information card for entry 7000881

Structure parameters

• Common name: (Ce(OH2)(B1(H+)))-3(H2O)
• Chemical name: [Ce(OH2){B1(H+)}]-3(H2O)
• Formula: C14 H13 Ce N2 O12
• Calculated formula: C14 H11 Ce N2 O12
• Title of publication: Novel dense organic‒lanthanide hybrid architectures: syntheses, structures and magnetic properties
• Authors of publication: Bai, Zheng-Shuai; Xu, Jing; Okamura, Taka-aki; Chen, Man-Sheng; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 14
• Pages of publication: 2528 - 2539
• a: 12.134 ± 0.003 Å
• b: 12.72 ± 0.004 Å
• c: 12.391 ± 0.004 Å
• α: 90°
• β: 114.777 ± 0.011°
• γ: 90°
• Cell volume: 1736.4 ± 0.9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No