Information card for entry 7002434

Structure parameters

• Formula: C16 H16 Cl2 Mo N2 O6
• Calculated formula: C16 H16 Cl2 Mo N2 O6
• SMILES: [Mo]1(Cl)(Cl)(=O)(=O)[n]2cc(ccc2c2[n]1cc(cc2)C(=O)OCC)C(=O)OCC
• Title of publication: Studies on bis(halogeno) dioxomolybdenum(VI)-bipyridine complexes: Synthesis and catalytic activity
• Authors of publication: Günyar, Alev; Zhou, Ming-Dong; Drees, Markus; Baxter, Paul N. W.; Bassioni, Ghada; Herdtweck, Eberhardt; Kühn, Fritz E.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8746 - 8754
• a: 8.4974 ± 0.0003 Å
• b: 10.5235 ± 0.0004 Å
• c: 11.0314 ± 0.0004 Å
• α: 100.241 ± 0.002°
• β: 95.708 ± 0.002°
• γ: 101.873 ± 0.002°
• Cell volume: 940.44 ± 0.06 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No