Information card for entry 4321619

Structure parameters

• Formula: C20 H14 Fe N2 O6 Sn
• Calculated formula: C20 H14 Fe N2 O6 Sn
• SMILES: [Sn]123([Fe](C#[O])(C#[O])(C#[O])C#[O])Oc4ccccc4C=[N]2CC[N]3=Cc2c(O1)cccc2
• Title of publication: (Schiff Base) Divalent Group 14 Element Species: Manganese and Iron Complexes (Salen)MMn(CO)2(η5-C5H5) (M14= Ge, Sn, Pb) and (Salen)SnFe(CO)4
• Authors of publication: Dominique Agustin; Ghassoub Rima; Heinz Gornitzka; Jacques Barrau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5492 - 5495
• a: 8.465 ± 0.002 Å
• b: 9.795 ± 0.003 Å
• c: 13.213 ± 0.004 Å
• α: 105.55 ± 0.03°
• β: 105.15 ± 0.03°
• γ: 100.84 ± 0.03°
• Cell volume: 978.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No