Information card for entry 7062791

Structure parameters

• Formula: C10 H17 Cr O12
• Calculated formula: C10 H17 Cr O12
• SMILES: [Cr]12(OC(=O)C3(C(=[O]1)O)CC3)(OC(=O)C1(C(=O)O2)CC1)([OH2])[OH2].O.O
• Title of publication: Synthesis, structural features, magnetic properties and thermal decomposition of a new series of polymeric Ln(iii)–Cr(iii) cyclopropane-1,1-dicarboxylates
• Authors of publication: Bazhina, Evgeniya S.; Shmelev, Maxim A.; Voronina, Julia K.; Korotkova, Natalia A.; Babeshkin, Konstantin A.; Matiukhina, Anna K.; Belova, Ekaterina V.; Gogoleva, Natalia V.; Kottsov, Sergey Yu.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 19251 - 19264
• a: 8.3636 ± 0.0004 Å
• b: 12.1817 ± 0.0006 Å
• c: 14.06 ± 0.0006 Å
• α: 90°
• β: 97.025 ± 0.002°
• γ: 90°
• Cell volume: 1421.72 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No