Information card for entry 7106796

Structure parameters

• Formula: C18 H15 Br0.5 Cl N2 Nd1.5 O8 S2
• Calculated formula: C18 H15 Br0.5 Cl N2 Nd1.5 O8 S2
• Title of publication: Influence of halide ions on the chirality and luminescent property of ionothermally synthesized lanthanide-based metal-organic frameworks
• Authors of publication: Wang, Meng-Xi; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 35
• Pages of publication: 9834 - 9836
• a: 16.389 ± 0.0003 Å
• b: 12.0113 ± 0.0002 Å
• c: 12.2966 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2420.63 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0384
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No