Information card for entry 4318391

Structure parameters

• Formula: C16 H38 N4 P2 Se
• Calculated formula: C16 H38 N4 P2 Se
• SMILES: [Se]=P1(N(C(C)(C)C)P(N1C(C)(C)C)NC(C)(C)C)NC(C)(C)C
• Title of publication: Syntheses and X-ray Structures of Potassium Derivatives and a Paramagnetic Nickel(II) Complex of a Cyclodiphosph(III/V)azane Monoselenide
• Authors of publication: Tristram Chivers; Mark Krahn; Gabriele Schatte
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4348 - 4354
• a: 9.51 ± 0.0001 Å
• b: 15.132 ± 0.0002 Å
• c: 15.994 ± 0.0002 Å
• α: 90°
• β: 90.6 ± 0.0005°
• γ: 90°
• Cell volume: 2301.5 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No