Information card for entry 7006051

Structure parameters

• Formula: C12 H20 Fe N2 O6 Sn
• Calculated formula: C12 H20 Fe N2 O6 Sn
• SMILES: [Sn]12([Fe](C#[O])(C#[O])(C#[O])C#[O])(OCC[N]1(C)C)OCC[N]2(C)C
• Title of publication: Can Sn(OCH2CH2NMe2)2 behave as a stannylene? Equatorial-axial isomerism in the tin(II)-iron(0) complex (Me2NCH2CH2O)2Sn-Fe(CO)4.
• Authors of publication: Khrustalev, Victor N.; Portnyagin, Ivan A.; Nechaev, Mikhail S.; Bukalov, Sergey S.; Leites, Larissa A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 32
• Pages of publication: 3489 - 3492
• a: 16.5051 ± 0.0014 Å
• b: 9.7283 ± 0.0008 Å
• c: 21.4561 ± 0.0019 Å
• α: 90°
• β: 98.393 ± 0.005°
• γ: 90°
• Cell volume: 3408.2 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No