Information card for entry 4518004

Structure parameters

• Formula: C74.96 H143.82 B Fe Mo N14 O0.54 P Si3
• Calculated formula: C74.957 H143.828 B Fe Mo N14 O0.543 P Si3
• Title of publication: Stabilization of the Dinitrogen Analogue, Phosphorus Nitride.
• Authors of publication: Martinez, Jorge L.; Lutz, Sean A.; Beagan, Daniel M.; Gao, Xinfeng; Pink, Maren; Chen, Chun-Hsing; Carta, Veronica; Moënne-Loccoz, Pierre; Smith, Jeremy M.
• Journal of publication: ACS central science
• Year of publication: 2020
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 1572 - 1577
• a: 15.5855 ± 0.0006 Å
• b: 15.7156 ± 0.0007 Å
• c: 20.2048 ± 0.0009 Å
• α: 90.537 ± 0.001°
• β: 102.134 ± 0.001°
• γ: 114.548 ± 0.001°
• Cell volume: 4374.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No