Information card for entry 7041700

Structure parameters

• Formula: C26 H28 B Cl2 N10 O3 Tb
• Calculated formula: C26 H28 B Cl2 N10 O3 Tb
• SMILES: [BH]12n3ccc4c5cccc[n]5[Tb]56([n]34)([n]3c(ccn13)c1cccc[n]51)([n]1c(ccn21)c1cccc[n]61)([OH2])([OH2])[OH2].C(#N)C.[Cl-].[Cl-]
• Title of publication: Crystal structures and intense luminescence of tris(3-(2'-pyridyl)-pyrazolyl)borate Tb(3+) and Eu(3+) complexes with carboxylate co-ligands.
• Authors of publication: Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Gavrilenko, Konstantin S.; Kiskin, Mikhail A.; Smola, Sergey S.; Dotsenko, Vladimir P.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3457 - 3469
• a: 11.02 ± 0.002 Å
• b: 11.302 ± 0.002 Å
• c: 13.191 ± 0.002 Å
• α: 71.532 ± 0.002°
• β: 84.415 ± 0.002°
• γ: 73.285 ± 0.002°
• Cell volume: 1492.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0175
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No