Information card for entry 7038248

Structure parameters

• Formula: C46 H92 Cl6 Fe3 N4 O2 P4
• Calculated formula: C46 H92 Cl6 Fe3 N4 O2 P4
• Title of publication: Transition metal (Rh and Fe) complexes and main-group (Se and B) adducts with N,N'-diphosphanyl NHC ligands: a study of stereoelectronic properties.
• Authors of publication: Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4771 - 4779
• a: 23.44 ± 0.003 Å
• b: 23.44 ± 0.003 Å
• c: 32.519 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15473 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1912
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No