Information card for entry 4300038

Structure parameters

• Formula: C72 H104 Mg4 O21
• Calculated formula: C72 H104 Mg4 O21
• SMILES: [Mg+2].[O-]c1cccc2CC(Oc12)(C)C.[O-]c1cccc2CC(Oc12)(C)C.[Mg+2].[O-]c1cccc2CC(Oc12)(C)C.[O-]C.OC.OC.OC.O1CCCC1
• Title of publication: Polynuclear Magnesium and Magnesium-Titanium Species. Syntheses and Crystal Structures of [Mg4(μ3,η2-ddbfo)2(μ,η2-ddbfo)2(μ,η1-ddbfo)2(η1-ddbfo)2], [Mg4(μ3-OMe)2(μ,η2-ddbfo)2(μ,η1-ddbfo)2(η1-ddbfo)2(CH3OH)5], and [Mg4(μ3,η2-thffo)2(μ,η2-thffo)2(μ,η1-thffo)2{μ-OTi(DIPP)3}2] Aggregates
• Authors of publication: Piotr Sobota; Józef Utko; Katarzyna Sztajnowska; Jolanta Ejfler; Lucjan B. Jerzykiewicz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 235 - 239
• a: 13.323 ± 0.003 Å
• b: 20.768 ± 0.004 Å
• c: 27.584 ± 0.006 Å
• α: 90°
• β: 104.26 ± 0.03°
• γ: 90°
• Cell volume: 7397 ± 3 ų
• Cell temperature: 100 ± 0.4 K
• Ambient diffraction temperature: 100 ± 0.4 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: 0.063
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No