Information card for entry 7108555

Structure parameters

• Formula: C58 H54 La2 N2 O21
• Calculated formula: C58 H54 La2 N2 O21
• Title of publication: Luminescent lanthanide metal-organic frameworks with a large SHG response
• Authors of publication: Song Dang; Jian-Han Zhang; Zhong-Ming Sun; Hongjie Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11139
• a: 33.136 ± 0.006 Å
• b: 7.3933 ± 0.0012 Å
• c: 14.349 ± 0.002 Å
• α: 90°
• β: 104.51 ± 0.003°
• γ: 90°
• Cell volume: 3403.2 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No