Information card for entry 1552348

Structure parameters

• Common name: BS-C-103
• Formula: C100 H152 B2 Cl2 N4 O3 P4 W2
• Calculated formula: C100 H152 B2 Cl2 N4 O3 P4 W2
• Title of publication: Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction
• Authors of publication: Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 35.4758 ± 0.0014 Å
• b: 14.6906 ± 0.0006 Å
• c: 24.6143 ± 0.0017 Å
• α: 90°
• β: 131.433 ± 0.001°
• γ: 90°
• Cell volume: 9617.5 ± 0.9 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No