Information card for entry 2018901

Structure parameters

• Chemical name: Poly[[decaaquabis[μ~3~-2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]bis[μ~2~-2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]tetracopper(II)dineodymium(III)] bis{[2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]cuprate(II)} tetradecahydrate]
• Formula: C33 H48 Br3 Cu3 N6 Nd O24
• Calculated formula: C33 H48 Br3 Cu3 N6 Nd O24
• Title of publication: Analogy to a Chinese knot in an ion-pair copper(II)‒neodymium(III) complex based on a hexadentate Schiff base condensation product of 5-bromosalicylaldehyde and glycylglycine
• Authors of publication: Xu, Li-Qing; Lu, Li-Ping; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: 376 - 379
• a: 11.357 ± 0.003 Å
• b: 12.588 ± 0.003 Å
• c: 19.254 ± 0.005 Å
• α: 84.268 ± 0.012°
• β: 77.257 ± 0.012°
• γ: 66.283 ± 0.01°
• Cell volume: 2457.9 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1019
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes