Information card for entry 1556576

Structure parameters

• Chemical name: Cluster-1
• Formula: C280 H378 O238 Yb42
• Calculated formula: C280 H378 O238 Yb42
• SMILES: [Yb]1234567(OC(=[O]4)C)[O]=Cc4cccc8[O](C)[Yb]9%10%11%12%13([O]1c48)[O]1[Yb]48%14%15([O]5C(=[O]4)C)([OH]6%12)([O]=C1C)[O]=C(C)[O]8[Yb]1456([O]3C(=[O]2)C)([OH]7%14)[O](C)c2cccc3c2[O]1[Yb]1278%12([O]=C3)([O]=C(O7)C)[O](C(=[O]2)C)[Yb]237%14%16([O]%17[Yb]%18%19([O]=C([O]4%18)C)([O]=C([O]8%19)C)([O]=C%17C)([O]=C(O9)C)([OH]12)[OH]5%12)[O]1[Yb]24589([O]=C1C)([O]=C(O6)C)[O](C(=[O]2)C)[Yb]126%12%17([O]%18[Yb]%19%20([O]=Cc%21cccc([O]7C)c%21[O]%16%20)([O]=C%18C)([O]4C(=[O]5)C)([O]=C(O%19)C)([OH]18)[OH]9%14)[O](C)c1cccc4c1[O]2[Yb]12578([O]=C4)(OC(=[O]1)C)[O](C(=[O]2)C)[Yb]1249%14([O]%16[Yb]%18%19([O]=C%16C)([O]=C([O]6%18)C)([O]=C([O]5%19)C)([O]=C(O3)C)([OH]27)[OH]8%17)[O](C)c2cccc3c2[O]1[Yb]12567([O]=C3)(OC(=[O]5)C)[O](C(=[O]1)C)[Yb]1358%16([O]%17[Yb]%18%19([O]=C%17C)([O]2C(=[O]%18)C)([O]=C([O]4%19)C)([O]=C(O%12)C)([OH]16)[OH]79)[O](C)c1cccc2c1[O]3[Yb]13467([O]=C2)([O]=C(O1)C)[O](C(=[O]3)C)[Yb]1239%12([O]%17[Yb]%18%19([O]=C%17C)([O]4C(=[O]%18)C)([O]=C([O]5%19)C)([O]=C(O%14)C)([OH]16)[OH]87)[O](C)c1cccc4c1[O]2[Yb]12567([O]=C4)([O]=C(O1)C)[O]1[Yb]48%14([O]=C([O]34)C)([O]=C1C)([O]=C(O%16)C)([OH]29)[O](C(=[O]8)C)[Yb]1234([O]5C(=[O]6)C)([OH]7%14)[O]=C(C)O[Yb]56789%14%16[O]=C(C)[O]5[Yb]5%17%18%19%20([O]%21[Yb]%22%23%24%25([O]=Cc%26cccc([O]4C)c%26[O]1%22)([O]=C%21C)(OC(=[O]%23)C)[O]1[Yb]4%21([O]=C([O]54)C)([O]2C(=[O]%21)C)([O]=C1C)([O]=C(O%12)C)([OH]3%24)[OH]%20%25)[O](C)c1cccc2c1[O]%17[Yb]134([O]=C2)([O]=C(O1)C)([O]7C(=[O]6)C)([OH]8%18)[O](C(=[O]4)C)[Yb]1245([O]9C(=[O]%14)C)([OH]3%16)[O]3[Yb]6789%12([O]=C3C)([O]=C(O%19)C)[O](C(=[O]6)C)[Yb]36%14%16%17([O]%18[Yb]%19%20([O]=Cc%21cccc([O]1C)c%21[O]2%20)([O]=C%18C)([O]7C(=[O]8)C)([O]=C(O%19)C)([OH]39)[OH]4%12)[O](C)c1cccc2c1[O]6[Yb]13467([O]=C2)(OC(=[O]1)C)[O](C(=[O]3)C)[Yb]12389([O]%12[Yb]%18%19([O]=C%12C)([O]=C([O]%14%18)C)([O]=C([O]7%19)C)([O]=C(O5)C)([OH]42)[OH]6%16)[O](C)c2cccc4c2[O]1[Yb]12567([O]=C4)(OC(=[O]2)C)[O](C(=[O]5)C)[Yb]245%12%14([O]%16[Yb]%18%19([O]=C%16C)([O]6C(=[O]%19)C)([O]=C([O]3%18)C)([O]=C(O%17)C)([OH]27)[OH]18)[O](C)c1cccc2c1[O]4[Yb]13467([O]=C2)([O]=C(O1)C)[O](C(=[O]4)C)[Yb]1248([O]=C(O%15)C)([O]%15[Yb]%16%17([O]=C%15C)([O]6C(=[O]%17)C)([O]=C([O]5%16)C)([O]=C(O9)C)([OH]72)[OH]3%14)[O](C)c2cccc5c2[O]1[Yb]2367([O]=C5)([O]=C(O2)C)([O]%11C(=[O]3)C)[O]2C(C)=[O][Yb]235([O]%10C(=[O]3)C)([O]=C([O]45)C)([O]=C(O%12)C)([OH]6%13)[OH]78
• Title of publication: A 42-metal Yb(iii) nanowheel with NIR luminescent response to anions.
• Authors of publication: Shi, Dongliang; Yang, Xiaoping; Xiao, Zhiyin; Liu, Xiaoming; Chen, Hongfen; Ma, Yanan; Schipper, Desmond; Jones, Richard A.
• Journal of publication: Nanoscale
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1384 - 1388
• a: 16.5526 ± 0.0007 Å
• b: 32.2692 ± 0.0011 Å
• c: 32.7633 ± 0.0011 Å
• α: 103.703 ± 0.002°
• β: 102.725 ± 0.002°
• γ: 100.939 ± 0.002°
• Cell volume: 16034.9 ± 1.1 ų
• Cell temperature: 190 ± 1 K
• Ambient diffraction temperature: 190 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1649
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No