Information card for entry 4347692

Structure parameters

• Formula: C12 H28 Cl2 Mg O4
• Calculated formula: C12 H28 Cl2 Mg O4
• SMILES: [Mg](Cl)(Cl)([O]1CCCC1)([O]1CCCC1)([OH]CC)[OH]CC
• Title of publication: Unexpected Reactions between Ziegler-Natta Catalyst Components and Structural Characterization of Resulting Intermediates.
• Authors of publication: Sobota, Piotr; Utko, Józef; Lis, Tadeusz; John, Łukasz; Petrus, Rafał; Drąg-Jarząbek, Anna
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4636 - 4642
• a: 6.192 ± 0.003 Å
• b: 16.614 ± 0.004 Å
• c: 16.832 ± 0.005 Å
• α: 90°
• β: 96.5 ± 0.03°
• γ: 90°
• Cell volume: 1720.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No