Information card for entry 7005098

Structure parameters

• Formula: C45 H47.5 B N7 Ni O P0.5 Se3
• Calculated formula: C45 H47.5 B N7 Ni O P0.5 Se3
• Title of publication: Tetrahedral nickel nitrosyl complexes with tripodal [N3] and [Se3] donor ancillary ligands: structural and computational evidence that a linear nitrosyl is a trivalent ligand.
• Authors of publication: Landry, Victoria K.; Pang, Keliang; Quan, Stephanie M.; Parkin, Gerard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 8
• Pages of publication: 820 - 824
• a: 14.5179 ± 0.0005 Å
• b: 14.5179 ± 0.0005 Å
• c: 73.73 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13458.1 ± 1.1 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 8
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No