Information card for entry 4509346

Structure parameters

• Formula: C68 H40 Co2 Fe N9 O11
• Calculated formula: C68 H40 Co2 Fe N9.04 O11.12
• Title of publication: Highly Tunable Heterometallic Frameworks Constructed from Paddle-Wheel Units and Metalloporphyrins
• Authors of publication: Barron, Paul M.; Son, Hyun-Tak; Hu, Chunhua; Choe, Wonyoung
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 1960
• a: 16.6367 ± 0.0016 Å
• b: 16.6367 ± 0.0016 Å
• c: 24.779 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6858.3 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2079
• 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: No
• Has Fobs: No