Information card for entry 7705438

Structure parameters

• Formula: C40 H36 N O2 P3
• Calculated formula: C40 H36 N O2 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: 9.5122 ± 0.0006 Å
• b: 10.6129 ± 0.0007 Å
• c: 17.1311 ± 0.0012 Å
• α: 91.229 ± 0.002°
• β: 95.309 ± 0.002°
• γ: 91.786 ± 0.002°
• Cell volume: 1720.6 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No