Information card for entry 4071839

Structure parameters

• Formula: C29 H29 B Cl2 N5 O3 P S2 W
• Calculated formula: C29 H29 B Cl2 N5 O3 P S2 W
• 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: 10.0313 ± 0.0004 Å
• b: 10.3673 ± 0.0004 Å
• c: 16.8936 ± 0.0007 Å
• α: 95.5217 ± 0.0014°
• β: 90.9341 ± 0.0012°
• γ: 102.745 ± 0.0019°
• Cell volume: 1704.38 ± 0.12 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No