Information card for entry 7227754

Structure parameters

• Common name: [Mn(saltmen)(Hfmac)]
• Chemical name: [Mn(saltmen)(Hfmac)]
• Formula: C24 H25 Mn N2 O6
• Calculated formula: C24 H25 Mn N2 O6
• SMILES: [Mn]123(Oc4ccccc4C=[N]2C(C)(C)C([N]3=Cc2ccccc2O1)(C)C)OC(=O)/C=C/C(=O)O
• Title of publication: Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions
• Authors of publication: Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 1725
• a: 9.7701 ± 0.0013 Å
• b: 10.0137 ± 0.0013 Å
• c: 22.834 ± 0.003 Å
• α: 90°
• β: 101.106 ± 0.004°
• γ: 90°
• Cell volume: 2192.1 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0694
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No