Information card for entry 7228117

Structure parameters

• Formula: C72 H76 N13 O37 Yb3 Zn2
• Calculated formula: C72 H76 N13 O37 Yb3 Zn2
• SMILES: [Yb]123456([O]=N(=O)O5)Oc5c(ccc(OC)c5)C(=[O]3)NCCN=Cc3c(O)c(ccc3)[O](C)[Zn]357[N]8=Cc9c%10[O]3[Yb]3%11%12%13([O](c%10ccc9)C)([O]=N(=O)O3)[O]9[Yb]3%10%14([O]%15[Zn]%16([N](=Cc%17c([O]1%16)c([O]2C)ccc%17)CCNC=%15c1c9cc(OC)cc1)([O](C)c1c(O)c(ccc1)C=NCCNC(=[O]%11)c1c(O%12)cc(OC)cc1)[OH]6%10)([O]5=C(NCC8)c1c([O]34)cc(OC)cc1)([O]=N(O%14)=O)[OH]7%13.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Three sandwich-type zinc(ii)‒lanthanide(iii) clusters: structures, luminescence and magnetic properties
• Authors of publication: Song, Xue-Qin; Liu, Pan-Pan; Wang, Cai-yun; Liu, Yuan-An; Liu, Wei-Sheng; Zhang, Mo
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 37
• Pages of publication: 22692
• a: 15.4135 ± 0.0011 Å
• b: 17.2583 ± 0.0014 Å
• c: 20.5153 ± 0.0016 Å
• α: 76.986 ± 0.001°
• β: 83.237 ± 0.002°
• γ: 66.613 ± 0.001°
• Cell volume: 4877.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1209
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No