Information card for entry 7053687

Structure parameters

• Formula: C31 H52 Fe N4 Si5
• Calculated formula: C31 H52 Fe N4 Si5
• SMILES: [Fe]1([n]2cccc3cccc([Si](c4cccc5cccnc45)(C)[H]1)c23)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: (MeQn2SiH)Fe[N(SiMe3)2]2 (Qn = 8-quinolyl): an unusual δ-agostic iron complex containing an η1-SiH interaction
• Authors of publication: Yang, Jian; Fasulo, Meg; Tilley, T. Don
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2528
• a: 11.3439 ± 0.0008 Å
• b: 11.723 ± 0.0008 Å
• c: 14.6618 ± 0.001 Å
• α: 86.754 ± 0.001°
• β: 85.828 ± 0.001°
• γ: 83.068 ± 0.001°
• Cell volume: 1928.2 ± 0.2 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.447
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No