Information card for entry 2204930

Structure parameters

• Chemical name: diaquatetrakis(μ-1,2-benzenedicarboxylato)di-μ-nitrato-pentastrontium(II)
• Formula: C32 H20 N2 O24 Sr5
• Calculated formula: C32 H20 N2 O24 Sr5
• SMILES: c1(ccccc1C(=O)[O-])C(=O)[O-].[Sr+2].O=N([O-])=O.[Sr+2].[O-]C(=O)c1c(cccc1)C(=O)[O-].O.[Sr+2].O=C(c1ccccc1C(=O)[O-])[O-].[Sr+2].O=N([O-])=O.[Sr+2].[O-]C(=O)c1c(cccc1)C(=O)[O-].O
• Title of publication: Polymeric diaquatetrakis(μ-1,2-benzenedicarboxylato)di-μ-nitrato-pentastrontium(II)
• Authors of publication: Stein, Irena; Ruschewitz, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m141 - m143
• a: 7.0624 ± 0.0011 Å
• b: 10.3895 ± 0.0016 Å
• c: 12.7945 ± 0.0019 Å
• α: 91.557 ± 0.012°
• β: 91.519 ± 0.012°
• γ: 104.011 ± 0.012°
• Cell volume: 910 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes