Information card for entry 7108951

Structure parameters

• Formula: C48 H50 Mn3 N2 O22 P2
• Calculated formula: C42 H24 Mn3 O19 P2
• Title of publication: Reversible structural transformation and selective gas adsorption in a unique aqua-bridged Mn(II) metal-organic framework
• Authors of publication: Euna Jeong; Woo Ram Lee; Dae Won Ryu; Yeonga Kim; Won Ju Phang; Eui Kwan Koh; Chang Seop Hong
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2329
• a: 40.229 ± 0.008 Å
• b: 21.504 ± 0.004 Å
• c: 15.251 ± 0.003 Å
• α: 90°
• β: 110.11 ± 0.03°
• γ: 90°
• Cell volume: 12389 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No