Information card for entry 4071838

Structure parameters

• Formula: C11 H15 B Mo N5 O3.5 S2
• Calculated formula: C11 H15 B Mo N5 O3.5 S2
• Title of publication: Poly(methimazolyl)borato Nitrosyl Complexes of Molybdenum and Tungsten
• Authors of publication: Abernethy, Robyn J.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Tshabang, Never; Willis, Anthony C.; Young, Rowan D.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 17
• Pages of publication: 4455
• a: 17.4413 ± 0.0006 Å
• b: 6.7479 ± 0.0002 Å
• c: 15.0143 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1767.07 ± 0.11 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1528
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No