Information card for entry 2016377

Structure parameters

• Chemical name: Poly[μ-aqua-diaqua-μ~4~-malonato-μ~3~-malonato-barium(II)nickel(II)]
• Formula: C6 H10 Ba Ni O11
• Calculated formula: C6 H10 Ba Ni O11
• SMILES: [Ba+2].O1[Ni]2(OC(=O)CC1=O)(OC(=O)CC(=O)O2)([OH2])[OH2].O
• Title of publication: Poly[μ-aqua-diaqua-μ~4~-malonato-μ~3~-malonato-barium(II)nickel(II)]
• Authors of publication: Guo, Ming-Lin; Zhang, Hou-Ying
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m30 - m32
• a: 12.177 ± 0.002 Å
• b: 13.842 ± 0.003 Å
• c: 7.1502 ± 0.0014 Å
• α: 90°
• β: 91.17 ± 0.03°
• γ: 90°
• Cell volume: 1204.9 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes