Information card for entry 8102593

Structure parameters

• Chemical name: Bis(O-phthalate) (oxalate) (tetra-aqua) bineodymium(III) monohydrate
• Formula: C18 H18 Nd2 O17
• Calculated formula: C18 H18 Nd2 O17
• Title of publication: Crystal structure of tetraaqua-bis(o-phthalato)-(oxalato)dineodymium(III) monohydrate, Nd2(H2O)4(C8H4O4)2(C2O4) · H2O
• Authors of publication: Yue-Bao Li; Mei-Qin Zha; Jian-Guo Pan; Xing Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 143
• a: 19.6994 ± 0.0007 Å
• b: 6.0136 ± 0.0002 Å
• c: 20.4762 ± 0.0007 Å
• α: 90°
• β: 110.953 ± 0.001°
• γ: 90°
• Cell volume: 2265.3 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0384
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No