Information card for entry 7050517

Structure parameters

• Formula: C27 H30 B Mo N6 O3
• Calculated formula: C27 H30 B Mo N6 O3
• SMILES: [Mo]123(=O)(Oc4c(cccc4)c4c(O1)cccc4)[n]1[n](c(cc1C)C)[BH]([n]1[n]2c(cc1C)C)[n]1[n]3c(cc1C)C
• Title of publication: Complexes of 2,2'-biphenol with ruthenium(ii), molybdenum(v), tungsten(v) and tungsten(vi): structures, electrochemistry and spectroscopy
• Authors of publication: Laye, Rebecca H.; Bell, Zöe R.; Ward, Michael D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 684
• a: 12.848 ± 0.002 Å
• b: 9.7316 ± 0.0014 Å
• c: 21.776 ± 0.005 Å
• α: 90°
• β: 106.361 ± 0.017°
• γ: 90°
• Cell volume: 2612.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No