Information card for entry 1548704

Structure parameters

• Formula: C44 H44 Ag3 F17.96 N16 O2 P3
• Calculated formula: C44 H44 Ag3 F17.958 N16 O2 P2.993
• Title of publication: Synthesis, characterization and derivatization of hydroxyl-functionalized iron(ii) bis(NHC) complexes.
• Authors of publication: Lindhorst, Anja C.; Kaspar, Manuel; Altmann, Philipp J.; Pöthig, Alexander; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 1857 - 1867
• a: 12.6724 ± 0.0006 Å
• b: 16.1107 ± 0.0007 Å
• c: 27.71 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5657.3 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No