Information card for entry 4337118

Structure parameters

• Formula: C215 H327 Cl12 Cu6 Fe8 N89 O83
• Calculated formula: C180 H244 Cl8 Cu6 Fe8 N84 O52
• Title of publication: Self-Assembly of an Imidazolate-Bridged Fe(III)/Cu(II) Heterometallic Cage.
• Authors of publication: Reichel, Florian; Clegg, Jack K.; Gloe, Karsten; Gloe, Kerstin; Weigand, Jan J.; Reynolds, Jason K.; Li, Chun-Guang; Aldrich-Wright, Janice R; Kepert, Cameron J.; Lindoy, Leonard F.; Yao, Hong-Chang; Li, Feng
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 688 - 690
• a: 21.3989 ± 0.0006 Å
• b: 21.3989 ± 0.0006 Å
• c: 30.3895 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13915.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1676
• Residual factor for significantly intense reflections: 0.1195
• Weighted residual factors for significantly intense reflections: 0.3461
• Weighted residual factors for all reflections included in the refinement: 0.4116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.367
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No