Information card for entry 7045987

Structure parameters

• Common name: DS-504
• Formula: C21 H16 Mn N3 O4
• Calculated formula: C21 H16 Mn N3 O4
• Title of publication: Selective formation of formamidines, carbodiimides and formimidates from isocyanide complexes of Mn(i) mediated by Ag₂O.
• Authors of publication: Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 18
• Pages of publication: 6279 - 6282
• a: 12.9527 ± 0.0003 Å
• b: 9.7141 ± 0.0003 Å
• c: 14.9863 ± 0.0004 Å
• α: 90°
• β: 91.393 ± 0.001°
• γ: 90°
• Cell volume: 1885.08 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No