Information card for entry 7007001

Structure parameters

• Formula: C24 H28 Ho N7 O11
• Calculated formula: C24 H28 Ho N7 O11
• SMILES: [Ho]123456([O]=N(=O)O1)(ON(=[O]2)=O)(ON(=[O]3)=O)Oc1c2C=[N]6CCC[N]5=Cc3cc(cc(C=[NH+]CCC[NH+]=Cc1cc(c2)C)c3O4)C
• Title of publication: Synthesis and structural characterization of lanthanide(III) nitrate complexes of a tetraiminodiphenol macrocycle in the solid state and in solution.
• Authors of publication: Bag, Pradip; Flörke, Ulrich; Nag, Kamalaksha
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 26
• Pages of publication: 3236 - 3248
• a: 15.594 ± 0.002 Å
• b: 9.5218 ± 0.0012 Å
• c: 18.669 ± 0.002 Å
• α: 90°
• β: 103.532 ± 0.003°
• γ: 90°
• Cell volume: 2695.1 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No