Information card for entry 7013662

Structure parameters

• Common name: Tetra(3,5-lutidine)tetraoxosquaratodimolybdenum(V) (3,5- lutidine) (1/2)
• Chemical name: Tetra(3,5-lutidine)tetraoxosquaratodimolybdenum(V) (3,5-lutidine) (1/2)
• Formula: C46 H54 Mo2 N6 O8
• Calculated formula: C46 H54 Mo2 N6 O8
• SMILES: [Mo]123([Mo](=O)(O1)(O2)(OC1=C(O3)C(=O)C1=O)([n]1cc(cc(c1)C)C)[n]1cc(cc(c1)C)C)(=O)([n]1cc(cc(c1)C)C)[n]1cc(cc(c1)C)C.n1cc(cc(c1)C)C.n1cc(cc(c1)C)C
• Title of publication: Novel molybdenum(V) squarato complexes based on the dinuclear metal‒metal bonded unit: syntheses and structural characterization of dinuclear [Mo2O4(C4O4)(R-Py)4] and tetranuclear [Mo4O8(C4O4)4]4−
• Authors of publication: Barbara Modec; Jurij V. Brenčič; Eric M. Burkholder; Jon Zubieta
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4618 - 4625
• a: 9.9594 ± 0.0005 Å
• b: 11.8057 ± 0.0006 Å
• c: 21.0573 ± 0.0011 Å
• α: 90.326 ± 0.001°
• β: 92.466 ± 0.001°
• γ: 111.864 ± 0.001°
• Cell volume: 2295 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No