Information card for entry 7045989

Structure parameters

• Common name: DS-506.2 - 17RPA007B
• Formula: C21 H17 B F4 Mn N3 O4
• Calculated formula: C21 H17 B F4 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: 31.9054 ± 0.0005 Å
• b: 6.917 ± 0.0001 Å
• c: 20.7312 ± 0.0003 Å
• α: 90°
• β: 103.087 ± 0.0008°
• γ: 90°
• Cell volume: 4456.34 ± 0.12 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 7
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No