Information card for entry 8103199

Structure parameters

• Formula: C50 H42 N12 Nd2 O40 S4
• Calculated formula: C50 H42 N12 Nd2 O40 S4
• Title of publication: Crystal structure of catena-(hexakis(?2-3,5-dinitrobenzoate-O,O')-tetrakis(dimethylsulfoxide-O)dineodymium(III), Nd2[(C7H3N2O6)6(C2H6SO)4]
• Authors of publication: Fu-Lin Zhou; Zhi-Hua Du
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 471
• a: 14.216 ± 0.004 Å
• b: 14.255 ± 0.006 Å
• c: 20.026 ± 0.009 Å
• α: 76.705 ± 0.007°
• β: 84.256 ± 0.006°
• γ: 60.37 ± 0.004°
• Cell volume: 3433 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No