Information card for entry 4341558

Structure parameters

• Formula: C21 H33 Cl2 N10 O12 Tb
• Calculated formula: C21 H27 Cl2 N10 O12 Tb
• SMILES: [Tb]1234567([O]=C(O1)C)[N](CC[N]2=Cc1[n]3c[nH]c1)(CC[N]4=Cc1[n]5c[nH]c1)CC[N]6=Cc1[n]7c[nH]c1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.O
• Title of publication: Crystal Field Splitting of the Ground State of Terbium(III) and Dysprosium(III) Complexes with a Triimidazolyl Tripod Ligand and an Acetate Determined by Magnetic Analysis and Luminescence.
• Authors of publication: Shintoyo, Seira; Murakami, Keishiro; Fujinami, Takeshi; Matsumoto, Naohide; Mochida, Naotaka; Ishida, Takayuki; Sunatsuki, Yukinari; Watanabe, Masayuki; Tsuchimoto, Masanobu; Mrozinski, Jerzy; Coletti, Cecilia; Re, Nazzareno
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10359 - 10369
• a: 17.1674 ± 0.0005 Å
• b: 10.5558 ± 0.0004 Å
• c: 17.4175 ± 0.0006 Å
• α: 90°
• β: 92.9486 ± 0.0008°
• γ: 90°
• Cell volume: 3152.14 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No