Information card for entry 2202716

Structure parameters

• Chemical name: (η^5^-Cyclopentadienyl)(η^6^-1,2-dichlorobenzene)iron(II) hexafluorophosphate
• Formula: C11 H9 Cl2 F6 Fe P
• Calculated formula: C11 H9 Cl2 F6 Fe P
• SMILES: [Fe]([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)([c]12Cl)([c]13Cl)([cH]21)([cH]12)([cH]21)[cH]13.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: (η^5^-Cyclopentadienyl)(η^6^-1,2-dichlorobenzene)iron(II) hexafluorophosphate
• Authors of publication: Jonathan D. Crane
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m1004 - m1005
• a: 7.8972 ± 0.0006 Å
• b: 12.4909 ± 0.0007 Å
• c: 13.8701 ± 0.0011 Å
• α: 90°
• β: 92.325 ± 0.006°
• γ: 90°
• Cell volume: 1367.06 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes