Information card for entry 7705439

Structure parameters

• Formula: C39.98 H31.98 N4.98 P3
• Calculated formula: C39.982 H31.982 N4.982 P3
• Title of publication: Pseudohalide HCN aggregate ions: [N₃(HCN)₃]^-, [OCN(HCN)₃]^-, [SCN(HCN)₂]^- and [P(CN·HCN)₂]^- .
• Authors of publication: Harloff, Jörg; Schulz, Axel; Stoer, Philip; Villinger, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 38
• Pages of publication: 13345 - 13351
• a: 10.983 ± 0.0008 Å
• b: 12.836 ± 0.0011 Å
• c: 25.3008 ± 0.0017 Å
• α: 90°
• β: 92.649 ± 0.002°
• γ: 90°
• Cell volume: 3563 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.1099
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No