Information card for entry 7059631

Structure parameters

• Formula: C74 H123 Mn4 N9 O56 Y4
• Calculated formula: C74 H60 Mn4 N6 O46 Y4
• SMILES: [Y]1234567[O]([Mn]89%10([O]=C(O[Y]%11%12%13%14([OH2])([OH2])OC(=[O][Mn]%15%16%17([O]%18[Y]%19%20%21([O]([Mn]%22%23%24([OH2])[O]=C(O[Y]%25%26%27%28([OH2])([OH2])OC(=[O][Mn]%29([O]1Cc1[n]7cccc1)([OH2])([O]%26CC(C(=[O]%19)[O]%22%25)(C[O]3%29)CC)[O]%28C(=[O]4)C(C[O]%23%27)(C[O]%20%24)CC)C(CO)(CO)CC)C(CO)(CO)CC)Cc1[n]%21cccc1)([O]%16CC(C([O]8%11)=[O]2)(C[O]%12%15)CC)([O]=C([O]%13%17)C(C[O]5%10)(C[O]9%14)CC)[n]1ccccc1C%18)[OH2])C(CO)(CO)CC)C(CO)(CO)CC)[N]#CC)Cc1[n]6cccc1.O=N(=O)[O-]
• Title of publication: Syntheses, structures and magnetic properties of novel tetrameric Ln2Mn2 and ring-like Ln4Mn4 clusters
• Authors of publication: Yin, Jia-Jia; Chen, Cheng; Zhuang, Gui-Lin; Zheng, Jun; Zheng, Xiu-Ying; Shao, Feng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 23
• Pages of publication: 9837 - 9843
• a: 16.9322 ± 0.0005 Å
• b: 18.8267 ± 0.0006 Å
• c: 19.8169 ± 0.0006 Å
• α: 79.398 ± 0.003°
• β: 69.241 ± 0.002°
• γ: 76.963 ± 0.003°
• Cell volume: 5717.2 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.1722
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2582
• Weighted residual factors for all reflections included in the refinement: 0.3109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No