Information card for entry 7121297

Structure parameters

• Formula: C56 H98 Cl5 Gd5 Mn2 N4 O36
• Calculated formula: C56 H98 Cl5 Gd5 Mn2 N4 O36
• SMILES: C[O]1c2cccc3c2[O]2[Gd]456781[O]=C(O[Mn]19([O]4C(=[O][Gd]4%10%11%12([OH]5[Gd]52([OH]C)([OH]C)([OH]C)([N](=C3)[N]2=Cc3cccc%13[O](C)[Mn]%14%15([O](c3%13)[Gd]3%132([O]2c%16c(cccc%16C=[N]([N]6=Cc6cccc([O]9C)c6[O]71)[Gd]2(OC(=O)C)([OH]C)([OH]C)([OH]C)([OH]8%11)[OH]%12%13)[O]3C)([O]=C(O%14)C)([O]%15C(=[O]4)C)[OH]%105)(Cl)[OH]C)OC(=O)C)([OH]C)[OH]C)C)([OH]C)Cl)C.CO.[Cl-].[Cl-].CO.[Cl-]
• Title of publication: Multifunctional luminescent magnetic cryocooler in a Gd₅Mn₂ pyramidal complex.
• Authors of publication: Huang, Wei; Huang, Shuaidan; Zhang, Ming; Chen, Yancong; Zhuang, Gui-Lin; Li, Yao; Tong, Ming-Liang; Yong, Juan; Li, Yujie; Wu, Dayu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 33
• Pages of publication: 4104 - 4107
• a: 26.495 ± 0.004 Å
• b: 13.471 ± 0.002 Å
• c: 23.632 ± 0.004 Å
• α: 90°
• β: 91.092 ± 0.003°
• γ: 90°
• Cell volume: 8433 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No