Information card for entry 4341336

Structure parameters

• Formula: C67 H67 N2 P2 S2
• Calculated formula: C67 H67 N2 P2 S2
• 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: 11.416 ± 0.0004 Å
• b: 12.281 ± 0.0005 Å
• c: 21.1403 ± 0.0009 Å
• α: 76.361 ± 0.002°
• β: 80.249 ± 0.002°
• γ: 76.93 ± 0.002°
• Cell volume: 2784.51 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No