Information card for entry 1570790

Structure parameters

• Formula: C136 H198 Mn4 N8 O9 P8
• Calculated formula: C136 H198 Mn4 N8 O9 P8
• Title of publication: Manganese-catalyzed base-free addition of saturated nitriles to unsaturated nitriles by template catalysis.
• Authors of publication: Thiyagarajan, Subramanian; Diskin-Posner, Yael; Montag, Michael; Milstein, David
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 2571 - 2577
• a: 10.4236 ± 0.0003 Å
• b: 17.9728 ± 0.0005 Å
• c: 17.9093 ± 0.0005 Å
• α: 90°
• β: 90.648 ± 0.002°
• γ: 90°
• Cell volume: 3354.94 ± 0.16 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No