Information card for entry 2208684

Structure parameters

• Chemical name: Bis(tetraphenylphosphonium) (cis-dioxo)bis(1-carboxybenzene-2,3-diolate-O,O')molybdenum(VI)
• Formula: C62 H48 Mo O10 P2
• Calculated formula: C62 H48 Mo O10 P2
• SMILES: [Mo]12(=O)(=O)(Oc3c(cccc3O1)C(=O)O)Oc1c(cccc1O2)C(=O)O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(tetraphenylphosphonium) bis(1-carboxybenzene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')-<i>cis</i>-dioxomolybdate(VI)
• Authors of publication: Litos, Charalambos; Karaliota, Alexandra; Parsons, Simon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m928 - m930
• a: 13.3595 ± 0.0003 Å
• b: 16.9998 ± 0.0004 Å
• c: 45.5887 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10353.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No