Information card for entry 4307674

Structure parameters

• Formula: C37 H56 Cl2 N3 P
• Calculated formula: C37 H56 Cl2 N3 P
• SMILES: ClP1(=N(=C(N1c1c(cccc1C(C)C)C(C)C)N(C1CCCCC1)C1CCCCC1)c1c(cccc1C(C)C)C(C)C)Cl
• Title of publication: Base-Stabilized Amidodiarsenes: Synthesis, Structure, and Theoretical Studies
• Authors of publication: Shaun P. Green; Cameron Jones; Guoxia Jin; Andreas Stasch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 8 - 10
• a: 9.3103 ± 0.0019 Å
• b: 18.45 ± 0.004 Å
• c: 20.787 ± 0.004 Å
• α: 90°
• β: 98.55 ± 0.03°
• γ: 90°
• Cell volume: 3531 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.082
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No