Information card for entry 1545250

Structure parameters

• Formula: C20 H23 Cr Gd O11
• Calculated formula: C20 H23 Cr Gd O11
• SMILES: [Gd]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: 6.4819 ± 0.0005 Å
• b: 13.6371 ± 0.001 Å
• c: 14.9951 ± 0.0011 Å
• α: 116.902 ± 0.0019°
• β: 99.17 ± 0.002°
• γ: 91.939 ± 0.002°
• Cell volume: 1158.45 ± 0.15 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: 0.0652
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No