Information card for entry 7713923

Structure parameters

• Formula: C68 H116 La6 Mn O40
• Calculated formula: C68 H116 La6 Mn O40
• SMILES: [La]123456([O]7[La]89%10([O]%11[La]%12%13([O]1[Mn]1%147%11[O]7[La]%11%15%16%17([O]1[La]1%18%19([OH]C)([O]%11[La]%11%207([OH]C)([O]%141)([OH]C)(OC(=CC(=[O]%11)C)C)[O]=C(C=C([O]%16%20)C)C)([OH]C)([O]=C(C)C=C(O%19)C)[O]=C(C)C=C(O%18)C)([O]=C(C)C=C(O%17)C)[O]=C(C)C=C(O%15)C)([O]28)([OH]C)([OH]C)([O]6C(C)=CC(=[O]%13)C)OC(=CC(=[O]%12)C)C)([OH]C)([O]=C(C)C=C(O%10)C)([O]4C(C)=CC(=[O]5)C)OC(=CC(=[O]9)C)C)([OH]C)[O]=C(C)C=C(O3)C
• Title of publication: Doping Transition Metals to Modulate the Chirality and Photocatalytic Activity of Rare Earth Clusters
• Authors of publication: Lu, Ying; Yang, Wen-Zhu; Ding, Xiu-Xia; Nie, Si-Qi; Jiang, Zhan-Guo; Zhan, Cai-Hong
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 14.8299 ± 0.0012 Å
• b: 16.978 ± 0.0013 Å
• c: 20.0319 ± 0.0016 Å
• α: 83.811 ± 0.003°
• β: 85.464 ± 0.003°
• γ: 88.201 ± 0.003°
• Cell volume: 4997.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No