Information card for entry 7121102

Structure parameters

• Chemical name: [Nd(tpyPyBTMprime)(NO3)2(H2O)](CH3CN)2
• Formula: C37 H24 Cl7 N9 Nd O10
• Calculated formula: C37 H24 Cl7 N9 Nd O10
• SMILES: [Nd]12345([OH2])(ON(=[O]1)=O)(ON(=[O]3)=O)(ON(=[O]2)=O)[n]1ccccc1c1[n]4c(cc(c1)c1nc(Cl)c(cc1)[C](c1c(Cl)cc(Cl)cc1Cl)c1c(Cl)cc(Cl)cc1Cl)c1[n]5cccc1.N#CC.N#CC
• Title of publication: Cation-responsive turn-on fluorescence and absence of heavy atom effects of pyridyl-substituted triarylmethyl radicals.
• Authors of publication: Hattori, Yohei; Kimura, Shun; Kusamoto, Tetsuro; Maeda, Hiroaki; Nishihara, Hiroshi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 615 - 618
• a: 12.5288 ± 0.0007 Å
• b: 13.8891 ± 0.001 Å
• c: 14.9538 ± 0.0011 Å
• α: 86.929 ± 0.003°
• β: 67.15 ± 0.003°
• γ: 68.829 ± 0.003°
• Cell volume: 2224.7 ± 0.3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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 significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No