Information card for entry 7215121

Structure parameters

• Formula: C6 H10 K Li2 Mo N O11
• Calculated formula: C6 H10 K Li2 Mo N O11
• SMILES: C1C(=O)O[Mo]2([N]1(CC(=O)O2)CC(=O)[O-])(=O)(=O)=O.[Li+].[Li+].O.O.[K+]
• Title of publication: Heterotrimetallic compounds containing Mo-M-Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings.
• Authors of publication: Deb, Dibakar; Duley, Soma; Radenković, Slavko; Bultinck, Patrick; Chattaraj, Pratim K.; Bhattacharjee, Manish
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 44
• Pages of publication: 15579 - 15592
• a: 7.9807 ± 0.001 Å
• b: 8.5886 ± 0.0011 Å
• c: 20.424 ± 0.003 Å
• α: 90°
• β: 96.724 ± 0.004°
• γ: 90°
• Cell volume: 1390.3 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0511
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No