Information card for entry 7004846

Structure parameters

• Formula: C21 H28 B N7 O S W
• Calculated formula: C21 H28 B N7 O S W
• Title of publication: The d4/d3 redox pairs [MX(CO)(eta-RC[triple bond, length as m-dash]CR)Tp']z (z=0 and 1): structural consequences of electron transfer and implications for the inverse halide order.
• Authors of publication: Adams, Christopher J.; Bartlett, Ian M.; Carlton, Susannah; Connelly, Neil G.; Harding, David J.; Hayward, Owen D.; Orpen, A. Guy; Patron, Elena; Ray, Christopher D.; Rieger, Philip H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 1
• Pages of publication: 62 - 72
• a: 12.209 ± 0.003 Å
• b: 17.02 ± 0.004 Å
• c: 13.196 ± 0.003 Å
• α: 90 ± 0.006°
• β: 115.095 ± 0.005°
• γ: 90 ± 0.006°
• Cell volume: 2483.3 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1533
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No