Information card for entry 7045988

Structure parameters

• Common name: DS-511.2 - 17RPA008
• Formula: C22 H19 B Cl2 F4 Mn N3 O4
• Calculated formula: C22 H19 B Cl2 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: 8.2025 ± 0.0002 Å
• b: 10.5656 ± 0.0002 Å
• c: 15.3399 ± 0.0004 Å
• α: 80.548 ± 0.001°
• β: 78.216 ± 0.001°
• γ: 87.453 ± 0.001°
• Cell volume: 1283.65 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No