Information card for entry 7103530

Structure parameters

• Formula: C47 H37 B F4 Fe N3 O3 P2 Re
• Calculated formula: C47 H37 B F4 Fe N3 O3 P2 Re
• Title of publication: Facile photoinduced charge separation through a cyanoacetylide bridge in a heterobimetallic Fe(ii)-Re(i) complex.
• Authors of publication: Smith, Mark E; Flynn, Emma L; Fox, Mark A; Trottier, Alexandre; Wrede, Eckart; Yufit, Dmitri S; Howard, Judith A K; Ronayne, Kate L; Towrie, Michael; Parker, Anthony W; Hartl, Frantisek; Low, Paul J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 5845 - 5847
• a: 10.9091 ± 0.0002 Å
• b: 32.1612 ± 0.0006 Å
• c: 12.9704 ± 0.0002 Å
• α: 90°
• β: 106 ± 0.01°
• γ: 90°
• Cell volume: 4374.38 ± 0.22 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No