Information card for entry 7230416

Structure parameters

• Formula: C58 H50 F24 Mn2 N6 O14
• Calculated formula: C58 H50 F24 Mn2 N6 O14
• Title of publication: A functional nitroxide ligand builds up two 2p‒3d complexes with different spin ground states and a 2p‒3d‒4f chain of rings
• Authors of publication: Zhu, Mei; Lou, Dingshuo; Deng, Xiaochun; Zhang, Li; Zhang, Wei; Lü, Yaohong
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 18
• Pages of publication: 2583
• a: 9.0754 ± 0.0018 Å
• b: 10.218 ± 0.002 Å
• c: 20.432 ± 0.004 Å
• α: 76.34 ± 0.03°
• β: 80.19 ± 0.03°
• γ: 68.14 ± 0.03°
• Cell volume: 1701.6 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1569
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No