Information card for entry 2234126

Structure parameters

• Chemical name: Tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')[<i>N</i>,<i>N</i>'-1,4- phenylenebis(pyridine-4-carboxamide)-κ<i>N</i>^1^](4-{[4-(pyridine-4- carboxamido-κ<i>N</i>^1^)phenyl]carbamoyl}pyridin-1-ium)neodymium(III)
• Formula: C36 H29 N12 Nd O16
• Calculated formula: C36 H29 N12 Nd O16
• Title of publication: Tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')[<i>N</i>,<i>N</i>'-1,4-phenylenebis(pyridine-4-carboxamide)-κ<i>N</i>^1^](4-{[4-(pyridine-4-carboxamido-κ<i>N</i>^1^)phenyl]carbamoyl}pyridin-1-ium)neodymium(III)
• Authors of publication: Zhang, Yun; Hao, Jiao-Jiao; Zhou, Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m459
• a: 19.856 ± 0.004 Å
• b: 7.8491 ± 0.0014 Å
• c: 25.338 ± 0.005 Å
• α: 90°
• β: 95.153 ± 0.002°
• γ: 90°
• Cell volume: 3933 ± 1.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes