Information card for entry 4318281

Structure parameters

• Common name: (Mes)NacNacFeN(SiMe3)2
• Formula: C29 H47 Fe N3 Si2
• Calculated formula: C29 H47 Fe N3 Si2
• SMILES: c1(c(cc(cc1C)C)C)[N]1=C(C=C(C)N([Fe]1N([Si](C)(C)C)[Si](C)(C)C)c1c(cc(cc1C)C)C)C
• Title of publication: Synthesis and Characterization of Three-Coordinate and Related β-Diketiminate Derivatives of Manganese, Iron, and Cobalt
• Authors of publication: Arunashree Panda; Matthias Stender; Robert J. Wright; Marilyn M. Olmstead; Peter Klavins; Philip P. Power
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3909 - 3916
• a: 17.091 ± 0.003 Å
• b: 15.102 ± 0.003 Å
• c: 12.501 ± 0.003 Å
• α: 90°
• β: 101.248 ± 0.009°
• γ: 90°
• Cell volume: 3164.6 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No