Information card for entry 7227300

Structure parameters

• Formula: C24 H82 Mn2 Mo18 N12 Nd2 O88
• Calculated formula: C24 H18 Mn2 Mo18 N12 Nd2 O88
• SMILES: c1cnccc1C(=O)O[Nd]123([O]=[Mo]456([O]78[Mn]9%10%11%12[O]%13%14[Mo]%15(O5)([O]6%11[Mo]56([O]%15[Mo]%11%13([O]%126[Mo]6(O[Mo]%12%13([O]%159[Mo]7(O[Mo]%14%15(=O)(=O)O%11)(=O)(=O)[O]%12[Mo]8([O]%106%13)(=O)(=O)O4)(=O)=O)(O5)(=O)=O)(=O)=O)(=[O]2)=O)(=O)=[O]1)=O)([OH2])([OH2])[O]=C(c1ccncc1)O[Nd]12([O]=[Mo]456([O]78[Mn]9%10%11%12[O]%13%14[Mo]%15%16(=O)(=O)O[Mo]%17%14([O]%14[Mo]%13(O5)([O]6%11[Mo]5%14(O[Mo]6(O[Mo]%11%13([O]9%15[Mo]7(O%16)(=O)(=O)[O]%11[Mo]8([O]%106%13)(=O)(=O)O4)(=O)=O)([O]%12%175)(=O)=O)(=[O]2)=O)(=O)=[O]1)(=O)=O)=O)([OH2])([OH2])(OC(c1ccncc1)=O)[O]=C(c1ccncc1)O3.[NH4+].[NH4+].[NH4+].[NH4+].O.O.O.O.O.O.[NH4+].[NH4+].[NH4+].[NH4+].O.O.O.O.O.O
• Title of publication: Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates
• Authors of publication: Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 834
• a: 10.4141 ± 0.0004 Å
• b: 12.6941 ± 0.0005 Å
• c: 19.1513 ± 0.0009 Å
• α: 72.893 ± 0.001°
• β: 82.037 ± 0.001°
• γ: 89.305 ± 0.001°
• Cell volume: 2395.32 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No