Information card for entry 4089395

Structure parameters

• Formula: C36 H61 Cl Fe2 O4 Si2 Sn2
• Calculated formula: C36 H61 Cl Fe2 O4 Si2 Sn2
• SMILES: [Sn]([Fe]1234([c]5([Si](C)(C)C)[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O])(C(C)(C)C)(C(C)(C)C)[c]12[Fe]345([Sn](Cl)(C(C)(C)C)C(C)(C)C)([cH]1[c]3([Si](C)(C)C)[cH]4[cH]25)(C#[O])C#[O]
• 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: 12.873 ± 0.002 Å
• b: 12.877 ± 0.002 Å
• c: 15.636 ± 0.003 Å
• α: 78.988 ± 0.002°
• β: 73.602 ± 0.002°
• γ: 67.163 ± 0.002°
• Cell volume: 2281.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0988
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No