Information card for entry 4509447

Structure parameters

• Formula: C63 H71 Gd2 N7 O27 S3
• Calculated formula: C54 H46 Gd2 N4 O22 S3
• Title of publication: Lanthanide Metal−Organic Frameworks Based on Octahedral Secondary Building Units: Rare Net Topology and Luminescence
• Authors of publication: Yan, Li; Yue, Qi; Jia, Qin-Xiang; Lemercier, Gilles; Gao, En-Qing
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 2984
• a: 35.0016 ± 0.0012 Å
• b: 14.8987 ± 0.0005 Å
• c: 30.0846 ± 0.001 Å
• α: 90°
• β: 97.973 ± 0.001°
• γ: 90°
• Cell volume: 15536.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No