Information card for entry 7002404

Structure parameters

• Formula: C42 H28 F12 Fe N6 P2
• Calculated formula: C42 H28 F12 Fe N6 P2
• 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: 17.8971 ± 0.0006 Å
• b: 19.2376 ± 0.0007 Å
• c: 10.9316 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3763.7 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.0333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2586
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No