Information card for entry 7232629

Structure parameters

• Formula: C24 H25 Mn N2 O5
• Calculated formula: C24 H25 Mn N2 O5
• Title of publication: p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers
• Authors of publication: Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 3074
• a: 8.865 ± 0.0018 Å
• b: 10.969 ± 0.002 Å
• c: 12.44 ± 0.003 Å
• α: 74.58 ± 0.03°
• β: 88.22 ± 0.03°
• γ: 87.34 ± 0.03°
• Cell volume: 1164.6 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0621
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No