Information card for entry 7700662

Structure parameters

• Formula: C72 H67 B Cu N6 O2 P3 Se W
• Calculated formula: C72 H67 B Cu N6 O2 P3 Se W
• Title of publication: New binding modes for CSe: coinage metal coordination to a tungsten selenocarbonyl complex.
• Authors of publication: Frogley, Benjamin J.; Hill, Anthony F.; Watson, Lachlan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 33
• Pages of publication: 12598 - 12606
• a: 13.6422 ± 0.0003 Å
• b: 25.6817 ± 0.0004 Å
• c: 19.9094 ± 0.0003 Å
• α: 90°
• β: 102.594 ± 0.002°
• γ: 90°
• Cell volume: 6807.5 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 9
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No