Information card for entry 4076906

Structure parameters

• Formula: C30 H26 B2 F12 Fe N4 O2 P2
• Calculated formula: C30 H26 B2 F12 Fe N4 O2 P2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[B]1(O)[n]2c(cccc2)c2[n]1cccc2)[c]1([cH]5[cH]6[cH]7[cH]81)[B]1(O)[n]2c(cccc2)c2cccc[n]12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(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: 8.562 ± 0.002 Å
• b: 9.563 ± 0.002 Å
• c: 22.721 ± 0.004 Å
• α: 94.006 ± 0.008°
• β: 99.315 ± 0.008°
• γ: 114.027 ± 0.008°
• Cell volume: 1657.6 ± 0.6 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: 0.2021
• Residual factor for significantly intense reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.2509
• Weighted residual factors for all reflections included in the refinement: 0.2977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No