Information card for entry 4341342

Structure parameters

• Formula: C50 H52 As2 N2
• Calculated formula: C50 H52 As2 N2
• SMILES: [As]123[As](N1c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(N2c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C=C3
• Title of publication: A new class of azadipnictiridines generated by an unusual rearrangement reaction.
• Authors of publication: Hinz, Alexander; Schulz, Axel; Seidel, Wolfram W.; Villinger, Alexander
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11682 - 11690
• a: 12.6202 ± 0.0011 Å
• b: 21.1556 ± 0.0017 Å
• c: 16.0917 ± 0.0014 Å
• α: 90°
• β: 108.018 ± 0.005°
• γ: 90°
• Cell volume: 4085.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0873
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No