Information card for entry 4104721

Structure parameters

• Formula: C35 H57 Fe Lu N2 O Si2
• Calculated formula: C35 H57 Fe Lu N2 O Si2
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[c]3([cH]49)N([Lu]1(Cc2cc(cc(c2)C)C)[O]2CCCC2)[Si](C)(C)C(C)(C)C)[cH]2[cH]5[cH]6[c]8([cH]72)N1[Si](C(C)(C)C)(C)C
• Title of publication: Reactions of Group III Biheterocyclic Complexes
• Authors of publication: Colin T. Carver; Diego Benitez; Kevin L. Miller; Bryan N. Williams; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10269 - 10278
• a: 11.249 ± 0.002 Å
• b: 17.344 ± 0.003 Å
• c: 18.91 ± 0.004 Å
• α: 90°
• β: 97.509 ± 0.002°
• γ: 90°
• Cell volume: 3657.8 ± 1.2 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: 0.0384
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No