Information card for entry 7025485

Structure parameters

• Formula: C322 H293 F96 Fe8 N53 O11 P16
• Calculated formula: C322 H287 F96 Fe8 N53 O11 P16
• 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: 20.413 ± 0.003 Å
• b: 20.413 ± 0.003 Å
• c: 40.992 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17081 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No