Information card for entry 7230092

Structure parameters

• Chemical name: SuperNova
• Formula: C35 H41 Mn3 N5 O14
• Calculated formula: C35 H41 Mn3 N5 O14
• SMILES: c12c(cccc1)C1=[N]3[N]4=C(c5[n]6[Mn]74(O1)([OH]C)([N]1=C(c6ccc5)O[Mn]45([N]1=C(c1c(cccc1)O4)O7)([O]=C(C=C(O5)C)C)[OH]C)[OH]C)O[Mn]13(OC(=CC(=[O]1)C)C)(O2)[OH]C
• Title of publication: A family of 3d metal clusters based on N‒N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior
• Authors of publication: Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 6218
• a: 17.0744 ± 0.0003 Å
• b: 20.5494 ± 0.0004 Å
• c: 11.4918 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4032.11 ± 0.13 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0625
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No