Information card for entry 7715235

Structure parameters

• Chemical name: (N(nBu)4)2[NdIIIL{Mo5O13(OMe)4(NO)}]
• Formula: C83 H144 Cl2 Mo5 N3 Nd O22
• Calculated formula: C83 H144 Cl2 Mo5 N3 Nd O22
• SMILES: [Nd]123456([O]=[Mo]789([O]%10%11%12[Mo]%13%14(N=O)([O]9C)[O]([Mo]%10(=O)(O7)(O[Mo]%11(=O)(O[Mo]%12(=O)(O8)(=[O]3)[O]%14C)(=[O]2)[O]%13C)=[O]1)C)=O)Oc1c2cc(cc1Cc1c([O]4C)c(cc(c1)C(C)(C)C)Cc1c(O5)c(cc(c1)C(C)(C)C)Cc1c([O]6C)c(cc(c1)C(C)(C)C)C2)C(C)(C)C.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.C(Cl)Cl
• Title of publication: Coordination-triggered redox activity of early and late lanthanide calix[4]arene complexes.
• Authors of publication: Jiao, Yushu; Sanz, Sergio; Koláčná, Lucie; van Leusen, Jan; Izarova, Natalya V.; Sarwar, Sidra; Ludvík, Jiří; Kögerler, Paul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 4930 - 4936
• a: 67.598 ± 0.014 Å
• b: 12.541 ± 0.003 Å
• c: 23.425 ± 0.005 Å
• α: 90°
• β: 103.49 ± 0.03°
• γ: 90°
• Cell volume: 19311 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No