Information card for entry 4307675

Structure parameters

• Formula: C51 H72 As Cl2 N3
• Calculated formula: C51 H72 As Cl2 N3
• SMILES: [As]1(Cl)(=N(=C(N1c1c(cccc1C(C)C)C(C)C)N(C1CCCCC1)C1CCCCC1)c1c(cccc1C(C)C)C(C)C)Cl.c1(ccccc1)C.c1(ccccc1)C
• 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: 12.634 ± 0.003 Å
• b: 10.535 ± 0.002 Å
• c: 36.397 ± 0.007 Å
• α: 90°
• β: 99.99 ± 0.03°
• γ: 90°
• Cell volume: 4771 ± 1.8 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: 0.0537
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1192
• 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