Information card for entry 2215085

Structure parameters

• Common name: Strontium 4-nitrobenzoate nonahydrate
• Chemical name: Heptaaqua(4-nitrobenzoato-κ^2^O,O')strontium(II) 4-nitrobenzoate dihydrate
• Formula: C14 H26 N2 O17 Sr
• Calculated formula: C14 H26 N2 O17 Sr
• SMILES: C1(c3ccc(cc3)N(=O)=O)=[O][Sr](O1)([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C(=O)(c1ccc(cc1)N(=O)=O)[O-].O.O
• Title of publication: Heptaaqua(4-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')strontium(II) 4-nitrobenzoate dihydrate
• Authors of publication: Srinivasan, Bikshandarkoil R.; Raghavaiah, Pallepogu; Sawant, Jyoti V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2251 - m2252
• a: 6.7364 ± 0.0007 Å
• b: 11.1705 ± 0.0012 Å
• c: 31.738 ± 0.003 Å
• α: 90°
• β: 95.568 ± 0.002°
• γ: 90°
• Cell volume: 2377 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes