Information card for entry 4338981

Structure parameters

• Formula: C25 H20 O7
• Calculated formula: C25 H20 O7
• SMILES: Oc1ccccc1C(=O)/C=C(\O)c1cccc(c1OC)C(=C\C(=O)c1ccccc1O)\O
• Title of publication: Molecules composed of two weakly magnetically coupled [MnIII4] clusters.
• Authors of publication: Sañudo, E Carolina; Cauchy, Thomas; Ruiz, Eliseo; Laye, Rebecca H.; Roubeau, Olivier; Teat, Simon J.; Aromí, Guillem
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9045 - 9047
• a: 7.2156 ± 0.0006 Å
• b: 15.7051 ± 0.0014 Å
• c: 18.6098 ± 0.0016 Å
• α: 71.677 ± 0.002°
• β: 85.469 ± 0.002°
• γ: 85.651 ± 0.002°
• Cell volume: 1992.8 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No