Information card for entry 4340507

Structure parameters

• Formula: C40 H78 Mg2 O17
• Calculated formula: C40 H78 Mg2 O17
• SMILES: [Mg]12([O]=C(C(C)(C)C)O[Mg]([O]=C(O1)C(C)(C)C)([O]=C(O)C(C)(C)C)([OH2]2)(OC(=O)C(C)(C)C)([O]=C(O)C(C)(C)C))(OC(=O)C(C)(C)C)([O]=C(O)C(C)(C)C)[O]=C(O)C(C)(C)C
• Title of publication: On the possibility of magneto-structural correlations: detailed studies of dinickel carboxylate complexes.
• Authors of publication: Walsh, James P. S.; Sproules, Stephen; Chilton, Nicholas F.; Barra, Anne-Laure; Timco, Grigore A.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8464 - 8472
• a: 12.0516 ± 0.0006 Å
• b: 19.9828 ± 0.0008 Å
• c: 22.9732 ± 0.0012 Å
• α: 90°
• β: 103.79 ± 0.005°
• γ: 90°
• Cell volume: 5373 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No