Information card for entry 7012115

Structure parameters

• Chemical name: N-methylpyridinium dichlorooxalatotetraoxodimolybdate(V)
• Formula: C14 H16 Cl2 Mo2 N2 O8
• Calculated formula: C14 H16 Cl2 Mo2 N2 O8
• Title of publication: The first oxalate-bridged one-dimensional polymer containing Mo dimers with single metal‒metal bonds. Syntheses and structures of (MeNC5H5)2n[Mo2O4(C2O4)Cl2]n and (3-MePyH)2n[Mo2O4(C2O4)Cl2]n
• Authors of publication: Barbara Modec; Jurij V. Brenčič; Darko Dolenc; Jon Zubieta
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 4582 - 4586
• a: 20.068 ± 0.003 Å
• b: 8.8105 ± 0.0012 Å
• c: 12.466 ± 0.002 Å
• α: 90°
• β: 120.073 ± 0.005°
• γ: 90°
• Cell volume: 1907.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No