Information card for entry 1556660

Structure parameters

• Formula: C32 H44 Cr F6 Li N2 O6
• Calculated formula: C32 H44 Cr F6 Li N2 O6
• SMILES: [Cr]123([O](C(C)(C)C)[Li]([O]1C(C)(C)C)([O]1CCCC1)[O]1CCCC1)(OC(=Cc1[n]3cccc1)C(F)(F)F)OC(=Cc1[n]2cccc1)C(F)(F)F
• Title of publication: Molecularly Engineered Lithium-Chromium Alkoxide for Selective Synthesis of LiCrO2 and Li2CrO4 Nanomaterials
• Authors of publication: Ojelere, O.; Graf, D.; Mathur, S.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 22
• a: 14.8499 ± 0.0006 Å
• b: 10.7574 ± 0.0005 Å
• c: 22.6334 ± 0.0011 Å
• α: 90°
• β: 90.059 ± 0.004°
• γ: 90°
• Cell volume: 3615.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1149
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No