Information card for entry 7030515

Structure parameters

• Formula: C42 H32 B2 F8 Fe N6 O2
• Calculated formula: C42 H28 B2.00007 F8.00087 Fe N6 O2.0008
• Title of publication: Diastereoselective complex formation with a simple C2-symmetric hexadentate ligand based on a 1,1'-binaphthalene scaffold
• Authors of publication: Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 8165 - 8167
• a: 30.4864 ± 0.0009 Å
• b: 30.4864 ± 0.0009 Å
• c: 30.4864 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28334.7 ± 1.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 214
• Hermann-Mauguin space group symbol: I 41 3 2
• Hall space group symbol: I 4bd 2c 3
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections: 0.1325
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0281
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002403
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No