Information card for entry 7027542

Structure parameters

• Formula: C27 H31 B Cl Mo N6 O3 S
• Calculated formula: C27 H31 B Cl Mo N6 O3 S
• Title of publication: Dinuclear oxomolybdenum(V) complexes which show strong electrochemical interactions across bis-phenolate bridging ligands: a combined spectroelectrochemical and computational study
• Authors of publication: Harden, Nicholas C.; Humphrey, Elizabeth R.; Jeffery, John C.; Lee, Siu-Ming; Marcaccio, Massimo; McCleverty, Jon A.; Rees, Leigh H.; Ward, Michael D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2417
• a: 13.581 ± 0.002 Å
• b: 17.475 ± 0.003 Å
• c: 12.663 ± 0.002 Å
• α: 90°
• β: 104.772 ± 0.001°
• γ: 90°
• Cell volume: 2906 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.1019
• Goodness-of-fit parameter for all reflections: 1.247
• Goodness-of-fit parameter for significantly intense reflections: 1.313
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No