Information card for entry 7212426

Structure parameters

• Formula: C43.5 H35.5 Mn3 N2.5 O14.5
• Calculated formula: C43.5 H32 Mn3 N2.5 O14.5
• Title of publication: A microporous metal‒organic framework constructed from a 1D column made of linear trinuclear manganese secondary building units
• Authors of publication: Jeong, Sehyun; Choi, Jungwook; Park, Mira; Oh, Minhak; Moon, Dohyun; Lah, Myoung Soo
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2179
• a: 12.283 ± 0.003 Å
• b: 13.386 ± 0.003 Å
• c: 13.931 ± 0.003 Å
• α: 102.14 ± 0.03°
• β: 101.47 ± 0.03°
• γ: 95.13 ± 0.03°
• Cell volume: 2173.9 ± 1 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No