Information card for entry 1549530

Structure parameters

• Formula: C10 H4 Ba2 O9
• Calculated formula: C10 H4 Ba2 O9
• SMILES: [Ba+2].[O-]C(=O)c1c(cc(C(=O)[O-])c(C(=O)[O-])c1)C(=O)[O-].[Ba+2].O
• Title of publication: M2(H2O)[μ10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations
• Authors of publication: Köferstein, Roberto; Robl, Christian
• Journal of publication: Zeitschrift für anorganische und allgemeine Chemie
• Year of publication: 2015
• Journal volume: 641
• Journal issue: 6
• Pages of publication: 1150
• a: 7.8089 ± 0.0004 Å
• b: 17.5619 ± 0.0008 Å
• c: 9.148 ± 0.0005 Å
• α: 90°
• β: 114.512 ± 0.005°
• γ: 90°
• Cell volume: 1141.48 ± 0.11 ų
• Number of distinct elements: 4
• 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: 0.023
• Residual factor for significantly intense reflections: 0.02
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No