Information card for entry 2231103

Structure parameters

• Chemical name: (Acetonitrile-κ<i>N</i>)[2-(diphenylphosphanyl)ethanamine- κ^2^<i>N</i>,<i>P</i>][(1,2,3,4,5-η)-1,2,3,4,5- pentamethylcyclopentadienyl]iron(II) hexafluoridophosphate tetrahydrofuran monosolvate
• Formula: C30 H42 F6 Fe N2 O P2
• Calculated formula: C30 H42 F6 Fe N2 O P2
• Title of publication: (Acetonitrile-κ<i>N</i>)[2-(diphenylphosphanyl)ethanamine-κ^2^<i>N</i>,<i>P</i>][(1,2,3,4,5-η)-1,2,3,4,5-pentamethylcyclopentadienyl]iron(II) hexafluoridophosphate tetrahydrofuran monosolvate
• Authors of publication: Lee, Kajin; Rominger, Frank; Limbach, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1135
• a: 11.9241 ± 0.0002 Å
• b: 12.9272 ± 0.0001 Å
• c: 21.4018 ± 0.0004 Å
• α: 90°
• β: 103.79 ± 0.001°
• γ: 90°
• Cell volume: 3203.89 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes