Information card for entry 7054071

Structure parameters

• Formula: C16 H25 Mn2 N O9
• Calculated formula: C16 H25 Mn2 N O9
• Title of publication: Metal‒organic frameworks constructed from flexible ditopic ligands: conformational diversity of an aliphatic ligand
• Authors of publication: Kim, Tae Kyung; Lee, Kyung Joo; Choi, Min; Park, Noejung; Moon, Dohyun; Moon, Hoi Ri
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 12
• Pages of publication: 4130
• a: 8.947 ± 0.0018 Å
• b: 20.874 ± 0.004 Å
• c: 10.471 ± 0.002 Å
• α: 90°
• β: 100.02 ± 0.03°
• γ: 90°
• Cell volume: 1925.7 ± 0.7 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.75001 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No