Information card for entry 7027878

Structure parameters

• Formula: C28 H48 Mo2 N4 O14
• Calculated formula: C28 H48 Mo2 N4 O14
• SMILES: c12c(cccn1CC(=O)OC)O[Mo]1([O]=2)(=O)(O[Mo]2([O]=c3c(cccn3CC(=O)OC)O2)(=O)(O1)=O)=O.C([NH+](CC)CC)C.C([NH+](CC)CC)C
• 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: 10.0526 ± 0.0005 Å
• b: 14.6016 ± 0.0007 Å
• c: 12.0634 ± 0.0005 Å
• α: 90°
• β: 91.556 ± 0.001°
• γ: 90°
• Cell volume: 1770.06 ± 0.14 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No