Information card for entry 7217832

Structure parameters

• Formula: C98 H78 Mn5 N20 O18
• Calculated formula: C98 H78 Mn5 N20 O18
• SMILES: c12ccccc1c1[n]3[n]4c(N=C(O[Mn]5674[n]4[n]8c(oc4N=C(O6)c4ccccc4)c4c([O]6[Mn]9%10%11([O]2[Mn]2386[n]3[n]5c(N=C(O7)c5ccccc5)oc3c3c([O]92)cccc3)[O]2c3ccccc3c3[n]5[n]6c(N=C(O[Mn]7896[n]6[n]%12c(oc6N=C(O8)c6ccccc6)c6c([O]%11[Mn]825%12[n]2[n]7c(N=C(O9)c5ccccc5)oc2c2c([O]%108)cccc2)cccc6)c2ccccc2)o3)cccc4)c2ccccc2)o1.C[N+](C)(C)C.C[N+](C)(C)C
• 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: 11.879 ± 0.002 Å
• b: 31.352 ± 0.006 Å
• c: 16.426 ± 0.003 Å
• α: 90°
• β: 94.25 ± 0.03°
• γ: 90°
• Cell volume: 6100.7 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0885
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No