Information card for entry 7112662

Structure parameters

• Formula: C64 H92 Fe2 N4 O Si4 Y2
• Calculated formula: C64 H92 Fe2 N4 O Si4 Y2
• SMILES: [Y]12(N([Si](C)(C)C(C)(C)C)[c]34[cH]5[Fe]6789%10%113([cH]5[cH]6[cH]47)[c]3([cH]8[cH]9[cH]%10[cH]%113)N1[Si](C)(C)C(C)(C)C)[C](#Cc1ccccc1)[Y]1(N([Si](C)(C)C(C)(C)C)[c]34[cH]5[Fe]6789%10%113([cH]5[cH]6[cH]47)[c]3([cH]8[cH]9[cH]%10[cH]%113)N1[Si](C)(C)C(C)(C)C)([O]1CCCC1)[C]2#Cc1ccccc1
• Title of publication: Group 3 metal stilbene complexes: synthesis, reactivity, and electronic structure studies
• Authors of publication: Wenliang Huang; Paul M. Abukhalil; Saeed I. Khan; Paula L. Diaconescu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5221
• a: 12.115 ± 0.004 Å
• b: 17.497 ± 0.006 Å
• c: 19.614 ± 0.006 Å
• α: 82.581 ± 0.004°
• β: 84.72 ± 0.004°
• γ: 72.458 ± 0.004°
• Cell volume: 3925 ± 2 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: 0.0609
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No