Information card for entry 7709635

Structure parameters

• Formula: C60 H42 Mn2 N4 O13
• Calculated formula: C60 H42 Mn2 N4 O13
• Title of publication: Structure, magnetic properties and spin density of two alternative Mn(II) coordination polymers based on 1,4-bis(2'-carboxyphenoxy)benzene
• Authors of publication: Wang, Ai; Yang, Bin; Wang, Yan; Hu, Zijia; Wei, Zhihong; Zhu, Miaoli; Englert, Ulli
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 19.1662 ± 0.0018 Å
• b: 12.1445 ± 0.0011 Å
• c: 23.566 ± 0.002 Å
• α: 90°
• β: 107.82 ± 0.002°
• γ: 90°
• Cell volume: 5222.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No