Information card for entry 7202127

Structure parameters

• Formula: C9 H14 La N2 Ni O12
• Calculated formula: C9 H12 La N2 Ni O12
• Title of publication: Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework
• Authors of publication: Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1309
• a: 7.225 ± 0.0013 Å
• b: 8.6469 ± 0.0016 Å
• c: 12.836 ± 0.002 Å
• α: 74.971 ± 0.003°
• β: 87.847 ± 0.003°
• γ: 86.518 ± 0.003°
• Cell volume: 772.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No