Information card for entry 7243645

Structure parameters

• Formula: C12 H21 Cl2 Fe N2 P
• Calculated formula: C12 H21 Cl2 Fe N2 P
• Title of publication: Proton-detected fast-magic-angle spinning NMR of paramagnetic inorganic solids
• Authors of publication: Blahut, Jan; Benda, Ladislav; Lejeune, Arthur L.; Sanders, Kevin J.; Burcher, Benjamin; Jeanneau, Erwann; Proriol, David; Catita, Leonor; Breuil, Pierre-Alain R.; Quoineaud, Anne-Agathe; Pell, Andrew J.; Pintacuda, Guido
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 47
• Pages of publication: 29870 - 29876
• a: 12.3959 ± 0.0011 Å
• b: 23.352 ± 0.002 Å
• c: 11.4368 ± 0.001 Å
• α: 90°
• β: 95.28 ± 0.007°
• γ: 90°
• Cell volume: 3296.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0764
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No