Information card for entry 7027876

Structure parameters

• Formula: C18 H20 Mo N2 O10
• Calculated formula: C18 H20 Mo N2 O10
• SMILES: c12c(cccn1CC(=O)OCC)O[Mo]1(=O)(=O)([O]=2)[O]=c2c(cccn2CC(=O)OCC)O1
• Title of publication: Synthesis and characterisation of cis-dioxomolybdenum(vi) complexes of N-substituted 3-hydroxy-2-pyridinonesElectronic supplementary information (ESI) available: ORTEP plot and structural details of [MoO2(Lb)2]. See http://www.rsc.org/suppdata/dt/b4/b407221a/
• Authors of publication: Brown, Emma J.; Whitwood, Adrian C.; Walton, Paul H.; Duhme-Klair, Anne-K.
• Journal of publication: Dalton Transactions
• Year of publication: 2004
• Journal issue: 16
• Pages of publication: 2458 - 2462
• a: 9.3413 ± 0.0007 Å
• b: 16.4045 ± 0.0013 Å
• c: 13.8278 ± 0.0011 Å
• α: 90°
• β: 93.531 ± 0.002°
• γ: 90°
• Cell volume: 2114.9 ± 0.3 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No