Information card for entry 4080022

Structure parameters

• Formula: C30 H35 Fe N5 Si
• Calculated formula: C30 H35 Fe N5 Si
• Title of publication: Spin Density Distribution in Iron(II) and Cobalt(II) Alkyl Complexes Containing 1,3-Bis(2-pyridylimino)isoindolate Ligands
• Authors of publication: Sauer, Désirée C.; Kruck, Matthias; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 885
• a: 10.528 ± 0.005 Å
• b: 11.752 ± 0.006 Å
• c: 12.215 ± 0.006 Å
• α: 93.176 ± 0.01°
• β: 113.954 ± 0.011°
• γ: 102.384 ± 0.01°
• Cell volume: 1331.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No