Information card for entry 7114690

Structure parameters

• Formula: C115 H128 I4 Mn2 O13 P8
• Calculated formula: C114.32 H104 I3.9456 Mn2 O12.32 P8
• Title of publication: Crystal engineering of microporous ‘Chinese-lantern’ compounds to improve their ability to reversibly adsorb sulfur dioxide
• Authors of publication: Cross, Wendy I.; Godfrey, Stephen M.; McAuliffe, Charles A.; Pritchard, Robin G.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 18
• Pages of publication: 1764
• a: 14.984 ± 0.004 Å
• b: 14.984 ± 0.004 Å
• c: 25.761 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5784 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No