Information card for entry 4309356

Structure parameters

• Common name: DippNAsCl trimer
• Formula: C36 H51 As3 Cl3 N3
• Calculated formula: C36 H51 As3 Cl3 N3
• SMILES: [As]1(Cl)N([As](Cl)N([As](Cl)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis of cyclo-2,4,6-Triarsa-1,3,5-triazanes from cyclo-2,4-Diarsa-1,3-diazanes Demonstrating the General Influence of Substituent Steric Strain on the Relative Stability of Pnictazane Oligomers
• Authors of publication: Neil Burford; Jeff C. Landry; Michael J. Ferguson; Robert McDonald
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5897 - 5902
• a: 12.2049 ± 0.0014 Å
• b: 21.386 ± 0.002 Å
• c: 16.3283 ± 0.0019 Å
• α: 90°
• β: 111.852 ± 0.002°
• γ: 90°
• Cell volume: 3955.7 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No