Information card for entry 4341337

Structure parameters

• Formula: C60 H76 N2 P2 S2 Si2
• Calculated formula: C60 H76 N2 P2 S2 Si2
• 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: 12.8745 ± 0.0016 Å
• b: 43.059 ± 0.005 Å
• c: 21.537 ± 0.003 Å
• α: 90°
• β: 99.284 ± 0.006°
• γ: 90°
• Cell volume: 11783 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1177
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No