Information card for entry 4067742

Structure parameters

• Formula: C54 H77 Fe Lu N8 O2 Si2
• Calculated formula: C54 H77 Fe Lu N8 O2 Si2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)N1[Si](C)(C)C(C)(C)C)[c]2([cH]5[cH]6[cH]7[cH]82)N([Si](C)(C)C(C)(C)C)[Lu]12([n]1c3ccccc3n(c1)C)[n]1c3ccccc3n(c1C1N2c2c(N1C)cccc2)C.O1CCCC1.O1CCCC1
• Title of publication: Reactions of Imidazoles with Electrophilic Metal Alkyl Complexes
• Authors of publication: Miller, Kevin L.; Carver, Colin T.; Williams, Bryan N.; Diaconescu, Paula L.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 10
• Pages of publication: 2272
• a: 15.518 ± 0.003 Å
• b: 24.031 ± 0.005 Å
• c: 16.449 ± 0.003 Å
• α: 90°
• β: 117.953 ± 0.002°
• γ: 90°
• Cell volume: 5418.4 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0602
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No