Information card for entry 8106784

Structure parameters

• Chemical name: catena-(μ~3~-3,4,5,6-tetrachlorophthalato)- (μ~2~-3,4,5,6-tetrachlorophthalato)-di-(μ~2~-aqua)- tetraaqua-potassium–neodymium(iii) 4,4'-bipyridine solvate
• Formula: C26 H19 Cl8 K N2 Nd O13.5
• Calculated formula: C26 H18 Cl8 K N2 Nd O13.5
• Title of publication: Crystal structure of a poly[bis(3,4,5,6-tetrachlorophthalato)neodym(III)potassium(I)] — 4,4′-bipyridine — water (1/1/5.5)
• Authors of publication: Zhang, Fan; Qu, Ya-Jie; Wu, Wen-Hua; Deng, Yu-Heng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 57 - 59
• a: 8.6114 ± 0.0017 Å
• b: 12.665 ± 0.003 Å
• c: 16.997 ± 0.003 Å
• α: 96.53 ± 0.03°
• β: 103.28 ± 0.03°
• γ: 97.89 ± 0.03°
• Cell volume: 1766.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK~α~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No