Information card for entry 7025484

Structure parameters

• Formula: C42 H41 F12 Fe N7 P2
• Calculated formula: C42 H41 F12 Fe N7 P2
• Title of publication: Mix and match: templating chiral Schiff base ligands to suit the needs of the metal ion.
• Authors of publication: Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 22
• Pages of publication: 5332 - 5340
• a: 9.908 ± 0.002 Å
• b: 15.486 ± 0.003 Å
• c: 27.657 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4243.6 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No