Information card for entry 1545245

Structure parameters

• Formula: C20 H23 Cr O11 Tb
• Calculated formula: C20 H23 Cr O11 Tb
• SMILES: [Tb]123([O]=C(O1)[c]14[Cr]5678([cH]1[cH]5[cH]6[cH]7[cH]48)(C#[O])(C#[O])C#[O])(OC(=CC(=[O]2)C)C)(OC(=CC(=[O]3)C)C)([OH2])[OH2]
• Title of publication: Novel mononuclear and 1D-polymeric derivatives of lanthanides and (η(6)-benzoic acid)tricarbonylchromium: synthesis, structure and magnetism.
• Authors of publication: Gavrikov, Andrey V.; Koroteev, Pavel S.; Efimov, Nikolay N.; Dobrokhotova, Zhanna V.; Ilyukhin, Andrey B.; Kostopoulos, Andreas K.; Ariciu, Ana-Maria; Novotortsev, Vladimir M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3369 - 3380
• a: 6.4691 ± 0.0003 Å
• b: 13.6049 ± 0.0006 Å
• c: 14.9858 ± 0.0007 Å
• α: 116.985 ± 0.001°
• β: 99.076 ± 0.001°
• γ: 91.981 ± 0.001°
• Cell volume: 1152.14 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No