Information card for entry 7060942

Structure parameters

• Formula: C64 H92 N4 Na4 O12 P4
• Calculated formula: C64 H92 N4 Na4 O12 P4
• Title of publication: Rearrangements and Reductive Cleavage of 3а,6а-Diaza-1,4-diphosphapentalenes
• Authors of publication: Panova, Yulia; Khristolyubova, Alexandra; Sushev, Vyacheslav; Zolotareva, Natalya; Baranov, Evgeny V.; Fukin, Georgii K.; Kornev, Alexander
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• a: 16.7757 ± 0.0003 Å
• b: 21.2281 ± 0.0004 Å
• c: 19.697 ± 0.0004 Å
• α: 90°
• β: 103.997 ± 0.001°
• γ: 90°
• Cell volume: 6806.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No