Information card for entry 4000896

Structure parameters

• Formula: C40 H22 Mn N10
• Calculated formula: C40 H22 Mn N10
• Title of publication: Flexibility of Porous Coordination Polymers Strongly Linked to Selective Sorption Mechanism
• Authors of publication: Shimomura, Satoru; Matsuda, Ryotaro; Kitagawa, Susumu
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 14
• Pages of publication: 4129
• a: 11.616 ± 0.003 Å
• b: 12.503 ± 0.003 Å
• c: 14.891 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2162.7 ± 1 ų
• Cell temperature: 223.1 K
• Ambient diffraction temperature: 223.1 K
• Number of distinct elements: 4
• Space group number: 49
• Hermann-Mauguin space group symbol: P c c m
• Hall space group symbol: -P 2 2c
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No