Information card for entry 7014669

Structure parameters

• Formula: C21 H40 Gd N13 O14
• Calculated formula: C21 H32 Gd N13 O14
• SMILES: C1C[N]2=Cc3[n](ccn3C)[Gd]34562([N]1(CC[N]3=Cc1[n]4ccn1C)CC[N]5=Cc1[n]6ccn1C)([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O
• Title of publication: Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln = Sm, Eu, Gd, Tb, Dy].
• Authors of publication: Kachi-Terajima, Chihiro; Yanagi, Katsuya; Kaziki, Toru; Kitazawa, Takafumi; Hasegawa, Miki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2249 - 2256
• a: 10.145 ± 0.001 Å
• b: 21.166 ± 0.002 Å
• c: 16.3695 ± 0.0017 Å
• α: 90°
• β: 106.85 ± 0.002°
• γ: 90°
• Cell volume: 3364.1 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No