Information card for entry 4315076

Structure parameters

• Common name: (NEt4)3[Mo2(Cl4C6O2)4(OCH3)(O)]
• Formula: C49 H63 Cl16 Mo2 N3 O10
• Calculated formula: C49 H63 Cl16 Mo2 N3 O10
• SMILES: [Mo]1234([Mo]56([O]1C)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O5)(Oc1c(O6)c(Cl)c(Cl)c(Cl)c1Cl)O4)(Oc1c(O2)c(Cl)c(Cl)c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O3.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Synthesis and Reactivity of Catecholate Complexes Containing Quadruply Bonded Metal Ions
• Authors of publication: Jason Christ; Corinne Epps; Victoria Pritchard; Derek Schmeh; Cortlandt Pierpont; Ebbe Nordlander
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2029 - 2031
• a: 12.4671 ± 0.0005 Å
• b: 13.1459 ± 0.0005 Å
• c: 19.7961 ± 0.0008 Å
• α: 90°
• β: 98.983 ± 0.001°
• γ: 90°
• Cell volume: 3204.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections: 0.1454
• Weighted residual factors for significantly intense reflections: 0.1352
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No