Information card for entry 2209432

Structure parameters

• Common name: Strontium methyl fumarate hydrate
• Chemical name: Poly[[tetraaquatris(monomethyl fumarato)distrontium(II)] monomethyl fumarate] at 120 K
• Formula: C20 H28 O20 Sr2
• Calculated formula: C20 H28 O20 Sr2
• SMILES: [Sr+2].[O-]C(=O)/C=C/C(=O)OC.[O-]C(=O)/C=C/C(=O)OC.O.O
• Title of publication: Poly[[tetraaquatris(monomethyl fumarato)distrontium(II)] monomethyl fumarate] at 120 K
• Authors of publication: Kenny Stahl; Jens E. T. Andersen; Henrik Nilsson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1677 - m1679
• a: 7.1336 ± 0.0006 Å
• b: 10.7203 ± 0.0008 Å
• c: 20.9384 ± 0.0017 Å
• α: 100.676 ± 0.002°
• β: 96.322 ± 0.002°
• γ: 107.096 ± 0.002°
• Cell volume: 1480.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No