Information card for entry 2231638

Structure parameters

• Chemical name: Poly[[[μ~3~-5-(pyridine-4-carboxamido)isophthalato]{μ~3~-5-[(pyridin-1-ium- 4-yl)carbonylamino]isophthalato}neodymium(III)] dihydrate]
• Formula: C28 H21 N4 Nd O12
• Calculated formula: C28 H21 N4 Nd O12
• Title of publication: Poly[[[μ~3~-5-(pyridine-4-carboxamido)isophthalato]{μ~3~-5-[(pyridin-1-ium-4-yl)carbonylamino]isophthalato}neodymium(III)] dihydrate]
• Authors of publication: Deng, Yi-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1298
• a: 13.4421 ± 0.0015 Å
• b: 13.7754 ± 0.0017 Å
• c: 16.2418 ± 0.0013 Å
• α: 90°
• β: 115.813 ± 0.004°
• γ: 90°
• Cell volume: 2707.4 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes