Information card for entry 7217833

Structure parameters

• Formula: C39 H47 Mn3 N11 O14
• Calculated formula: C39 H47 Mn3 N11 O14
• SMILES: [Mn]12([O]3[Mn]4567[N]8[N]9[Mn]%10%11([N]%12[N]4=C(c4c(cccc4)[O]27)OC=%12N=C(CC)O%10)([N]2[N]5=C(c4c3cccc4)OC=2N=C(CC)O%11)OC(=NC=9OC=8c2c(cccc2)[O]16)CC)([OH2])([OH2])[OH2].N(C)(C)C=O.N(C)(C)C=O
• Title of publication: Discrete Polynuclear Manganese Nanorods: Syntheses, Crystal Structures and Magnetic Properties
• Authors of publication: Liu, Jian-Jun; Wang, Yao; Wu, Shu-Ting; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wenxin
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 11.609 ± 0.002 Å
• b: 21.154 ± 0.004 Å
• c: 18.246 ± 0.004 Å
• α: 90°
• β: 100.68 ± 0.03°
• γ: 90°
• Cell volume: 4403.2 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0737
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No