Information card for entry 4115686

Structure parameters

• Formula: C203 H312 Fe4 K5 N19 O47
• Calculated formula: C187.42 H144 Fe4 K4.98 N18.97 O46.995
• Title of publication: Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1
• Authors of publication: Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 8923 - 8938
• a: 43.707 ± 0.008 Å
• b: 43.707 ± 0.008 Å
• c: 43.707 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 83494 ± 3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.1504
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections: 0.3288
• Weighted residual factors for significantly intense reflections: 0.2552
• Goodness-of-fit parameter for all reflections: 1.104
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No