Information card for entry 4089397

Structure parameters

• Chemical name: (υ^2-Hydroxo)-(carbonyl)-(trimethylsilyl- ν^5-cyclopentadienyl)-tetrakis(t-butyl)- iron-di-tin(ii)
• Formula: C32 H60 Fe N2 O2 Si Sn2
• Calculated formula: C32 H60 Fe N2 O2 Si Sn2
• SMILES: [Sn]1([OH][Sn]([Fe]23451([c]1([cH]3[cH]4[cH]5[cH]21)[Si](C)(C)C)C#[O])(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.n1ccc(N(C)C)cc1
• Title of publication: Reactions of an Iron Chlorodistannane with Hydroxide: Isolation and Structural Characterization of {(η5-Me3SiC5H4)Fe(CO)[(SntBu2)2(μ-OH)]···DMAP}, DMAP = 4-(N,N-Dimethylamino)pyridine, a μ-OH-Stannyl(stannylene)‒Iron Complex
• Authors of publication: Sharma, Hemant K.; Metta-Magaña, Alejandro J.; Pannell, Keith H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6218
• a: 9.812 ± 0.0011 Å
• b: 11.7799 ± 0.0017 Å
• c: 18.284 ± 0.002 Å
• α: 93.114 ± 0.002°
• β: 100.116 ± 0.002°
• γ: 114.472 ± 0.002°
• Cell volume: 1874.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.755
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No