Information card for entry 2214777

Structure parameters

• Chemical name: Di-μ-acetato-κ^4^O:O'-μ-oxido-κ^2^O:O-bis[(acetic acid-κO)bis(1H-imidazole-κN^3^)magnesium(II)]
• Formula: C20 H30 Mg2 N8 O9
• Calculated formula: C20 H30 Mg2 N8 O9
• SMILES: C(C)(=[O][Mg]12([n]3cc[nH]c3)([n]3cc[nH]c3)OC(=[O][Mg](OC(=[O]1)C)(O2)([n]1cc[nH]c1)([n]1cc[nH]c1)[O]=C(C)O)C)O
• Title of publication: Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-μ-oxido-κ^2^<i>O</i>:<i>O</i>-bis[(acetic acid-κ<i>O</i>)bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)magnesium(II)]
• Authors of publication: Stadie, Nicholas P.; Sanchez-Smith, Rebeca; Groy, Thomas L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2153 - m2154
• a: 8.6927 ± 0.0014 Å
• b: 19.106 ± 0.003 Å
• c: 16.834 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2795.8 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes