Information card for entry 4343448

Structure parameters

• Chemical name: Ph6PNP_SSNO
• Formula: C36 H30 N2 O P2 S2
• Calculated formula: C36 H30 N2 O P2 S2
• Title of publication: Does Perthionitrite (SSNO(-)) Account for Sustained Bioactivity of NO? A (Bio)chemical Characterization.
• Authors of publication: Wedmann, Rudolf; Zahl, Achim; Shubina, Tatyana E.; Dürr, Maximilian; Heinemann, Frank W.; Bugenhagen, Bernhard Eberhard Christian; Burger, Peter; Ivanovic-Burmazovic, Ivana; Filipovic, Milos R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9367 - 9380
• a: 11.8538 ± 0.0003 Å
• b: 16.6879 ± 0.0004 Å
• c: 15.5122 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3068.55 ± 0.13 ų
• Cell temperature: 100.1 ± 0.01 K
• Ambient diffraction temperature: 100.1 ± 0.01 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No