Information card for entry 4319387

Structure parameters

• Formula: C10 H18 Ba N4 O14
• Calculated formula: C10 H18 Ba N4 O14
• SMILES: [Ba]12(OC(=O)c3cc(C(=O)O)[nH][n]13)([OH2])([OH2])([OH2])([OH2])OC(=O)c1cc(C(=O)O)[nH][n]12.O.O
• Title of publication: The Effect of pH on the Dimensionality of Coordination Polymers
• Authors of publication: Long Pan; Thomas Frydel; Michelle B. Sander; Xiaoying Huang; Jing Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1271 - 1283
• a: 20.493 ± 0.004 Å
• b: 6.708 ± 0.001 Å
• c: 15.939 ± 0.003 Å
• α: 90°
• β: 123.56 ± 0.03°
• γ: 90°
• Cell volume: 1825.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0792
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No