Information card for entry 7027430

Structure parameters

• Formula: C4 H15 Mo N4 O8.5
• Calculated formula: C4 H10 Mo N4 O8.5
• Title of publication: Oxygen versus nitrogen co-ordination in complexes of MoVI and hydroxamate derivatives of α-amino acids: equilibrium, structural and theoretical studies †
• Authors of publication: Farkas, Etelka; Csóka, Hajnalka; Bell, Gareth; Brown, David A.; Cuffe, Laurence P.; Fitzpatrick, Noel J.; Glass, William K.; Errington, William; Kemp, Terence J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2789
• a: 7.01 ± 0.0002 Å
• b: 13.7821 ± 0.0003 Å
• c: 12.6683 ± 0.0002 Å
• α: 90°
• β: 105.3 ± 0.001°
• γ: 90°
• Cell volume: 1180.54 ± 0.05 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No