Information card for entry 2217134

Structure parameters

• Chemical name: 2,2'-Bis(4-methoxyphenyl)-2,2'-bis(trimethylsilanyloxy)-2,2'-(ferrocene-1,1'- diyl)diacetonitrile
• Formula: C34 H40 Fe N2 O4 Si2
• Calculated formula: C34 H40 Fe N2 O4 Si2
• SMILES: [cH]12[c]3([Fe]4567891([c]1([cH]4[cH]5[cH]7[cH]91)[C@](C#N)(c1ccc(OC)cc1)O[Si](C)(C)C)[cH]2[cH]6[cH]38)[C@@](O[Si](C)(C)C)(C#N)c1ccc(OC)cc1
• Title of publication: 2,2'-Bis(4-methoxyphenyl)-2,2'-bis(trimethylsilanyloxy)-2,2'-(ferrocene-1,1'-diyl)diacetonitrile
• Authors of publication: Wang, Xiao-li; Bao, Huaying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m123 - m123
• a: 7.129 ± 0.002 Å
• b: 10.5 ± 0.004 Å
• c: 11.449 ± 0.004 Å
• α: 95.613 ± 0.005°
• β: 97.253 ± 0.006°
• γ: 97.441 ± 0.006°
• Cell volume: 837.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1095
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes