Information card for entry 4076907

Structure parameters

• Formula: C37 H33 B2 F6 Fe N5 O4 Si
• Calculated formula: C37 H33 B2 F6 Fe N5 O4 Si
• SMILES: [Fe]123456789[c]%10([B]%11(N([Si](C)(C)C)[B]%12([c]%135[cH]6[cH]7[cH]8[cH]9%13)[n]5c(cccc5)c5[n]%12cccc5)[n]5c(cccc5)c5[n]%11cccc5)[cH]1[cH]2[cH]3[cH]4%10.C(=O)([O-])C(F)(F)F.C(=O)([O-])C(F)(F)F
• Title of publication: Electronic Communication in a Series of Novel Multistep Redox Systems
• Authors of publication: Ma, Kuangbiao; Fabrizi de Biani, Fabrizia; Bolte, Michael; Zanello, Piero; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 3979
• a: 10.437 ± 0.001 Å
• b: 11.964 ± 0.001 Å
• c: 15.478 ± 0.002 Å
• α: 84.982 ± 0.008°
• β: 87.975 ± 0.008°
• γ: 85.244 ± 0.007°
• Cell volume: 1917.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No