Information card for entry 2236648

Structure parameters

• Chemical name: Tris[4-(dimethylamino)pyridinium][(bis-μ-dichlorido)-decaaqua\ dichloridodineodymium(III)] pentachloride dihydrate
• Formula: C21 H57 Cl9 N6 Nd2 O12
• Calculated formula: C21 H57 Cl9 N6 Nd2 O12
• Title of publication: Tris[4-(dimethylamino)pyridinium][(bis-μ-dichlorido)-decaaquadichloridodineodymium(III)] pentachloride dihydrate
• Authors of publication: Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude; Zeghouan, Ouahida
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1342 - m1343
• a: 9.5172 ± 0.0004 Å
• b: 10.7739 ± 0.0005 Å
• c: 11.9976 ± 0.0005 Å
• α: 74.855 ± 0.004°
• β: 69.78 ± 0.004°
• γ: 85.075 ± 0.004°
• Cell volume: 1114.28 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes