Information card for entry 4076287

Structure parameters

• Formula: C52 H90 Fe2 K Mg N3 Si6
• Calculated formula: C52 H90 Fe2 K Mg N3 Si6
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]5[cH]6[cH]17.[K+].[cH]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91.c1ccc(cc1)C.c1ccc(cc1)C.[Mg](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis, Structure, and Methyl Methacrylate Polymerization Activity of a Mixed π-Ferrocene π-Toluene Complex of Potassium Tris(hexamethyldisilazide)magnesiate
• Authors of publication: Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; Sherrington, David C.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1197
• a: 12.0176 ± 0.0002 Å
• b: 22.4722 ± 0.0003 Å
• c: 23.2871 ± 0.0004 Å
• α: 90°
• β: 99.293 ± 0.001°
• γ: 90°
• Cell volume: 6206.42 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1651
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No