Information card for entry 2016722

Structure parameters

• Chemical name: poly[[hexaaquabis[μ~3~-3,5-dicarboxylatopyrazolato- κ^5^O^3^,N^2^:N^1^,O^5^:O^5'^](μ~2~-oxalato- κ^4^O^1^,O^2^:O^1'^,O^2'^)copper(II)dierbium(III)] trihydrate]
• Formula: C12 H20 Cu Er2 N4 O21
• Calculated formula: C12 H20 Cu Er2 N4 O21
• Title of publication: A novel three-dimensional heterometallic coordination polymer: poly[[hexaaquabis[μ~3~-3,5-dicarboxylatopyrazolato-κ^5^<i>O</i>^3^,<i>N</i>^2^:<i>N</i>^1^,<i>O</i>^5^:<i>O</i>^5'^](μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)copper(II)dierbium(III)] trihydrate]
• Authors of publication: Wang, Yan; Shen, Ying-Zhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m283 - m285
• a: 37.829 ± 0.009 Å
• b: 6.9457 ± 0.0016 Å
• c: 22.772 ± 0.005 Å
• α: 90°
• β: 125.607 ± 0.004°
• γ: 90°
• Cell volume: 4864.6 ± 1.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0743
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes