Information card for entry 7209982

Structure parameters

• Formula: C18 H18 Mn2 N14 O4
• Calculated formula: C18 H16 Mn2 N14 O4
• Title of publication: Two solvent-dependent manganese(ii) supramolecular isomers: solid-state transformation and magnetic properties
• Authors of publication: Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Ma, Lu-Fang; Wu, Ya-Pan; Duan, Ya-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 27
• Pages of publication: 5412
• a: 23.746 ± 0.008 Å
• b: 12.946 ± 0.004 Å
• c: 15.957 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4905 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No