Information card for entry 4340649

Structure parameters

• Formula: C36.25 H21.5 B Cl0.5 Fe N6
• Calculated formula: C36.2496 H21 B Cl0.5 Fe N6
• Title of publication: Redox and photoinduced electron-transfer properties in short distance organoboryl ferrocene-subphthalocyanine dyads.
• Authors of publication: Maligaspe, Eranda; Hauwiller, Matthew R.; Zatsikha, Yuriy V.; Hinke, Jonathan A.; Solntsev, Pavlo V.; Blank, David A.; Nemykin, Victor N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 9336 - 9347
• a: 13.2281 ± 0.0008 Å
• b: 13.6458 ± 0.0009 Å
• c: 19.1772 ± 0.0014 Å
• α: 71.365 ± 0.005°
• β: 89.078 ± 0.006°
• γ: 71.701 ± 0.005°
• Cell volume: 3100.6 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.134
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2311
• Weighted residual factors for all reflections included in the refinement: 0.2696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No