Information card for entry 2217616

Structure parameters

• Chemical name: Poly[[tetraaquabis(1H-imidazole-κN^3^)bis[2- (oxaloamino)benzoato(3-)]dicopper(II)barium(II)] dihydrate]
• Formula: C24 H28 Ba Cu2 N6 O16
• Calculated formula: C24 H24 Ba Cu2 N6 O16
• Title of publication: Poly[[tetraaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis[2-(oxaloamino)benzoato(3‒)]dicopper(II)barium(II)] dihydrate]
• Authors of publication: Chongzhen Mei; Kaihui Li; Peng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m356 - m356
• a: 10.662 ± 0.003 Å
• b: 6.9165 ± 0.0018 Å
• c: 21.335 ± 0.005 Å
• α: 90°
• β: 101.146 ± 0.004°
• γ: 90°
• Cell volume: 1543.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes