Information card for entry 4309843

Structure parameters

• Formula: C36 H58 As2 Cl2 N2
• Calculated formula: C36 H58 As2 Cl2 N2
• SMILES: [As]1(Cl)N(c2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)[As](N1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)Cl
• Title of publication: Dissociation of 2,4-Bis(2,4,6-tri-tert-butylphenyl)-cyclo-1,3-dipnicta-2,4-diazanes (pnict = P, As, Sb) Imposed by Substituent Steric Strain: A Cyclobutane/Olefin Analogy
• Authors of publication: Neil Burford; T. Stanley Cameron; Charles L. B. Macdonald; Katherine N. Robertson; Robert Schurko; Denise Walsh; Robert McDonald; Roderick E. Wasylishen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8058 - 8064
• a: 10.397 ± 0.007 Å
• b: 17.611 ± 0.006 Å
• c: 11.442 ± 0.007 Å
• α: 90°
• β: 113.66 ± 0.04°
• γ: 90°
• Cell volume: 1919 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.266
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No