Information card for entry 2206044

Structure parameters

• Common name: Fe(phen)~2~Cl~2~
• Chemical name: Dichlorobis(1,10-phenanthroline)iron(II)
• Formula: C24 H16 Cl2 Fe N4
• Calculated formula: C24 H16 Cl2 Fe N4
• SMILES: [Fe]12(Cl)(Cl)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13
• Title of publication: <i>cis</i>-Dichlorobis(1,10-phenanthroline)iron(II)
• Authors of publication: Xu-Cheng Fu; Ming-Tian Li; Cheng-Gang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1221 - m1222
• a: 10.1699 ± 0.0018 Å
• b: 16.883 ± 0.003 Å
• c: 12.49 ± 0.002 Å
• α: 90°
• β: 100.126 ± 0.003°
• γ: 90°
• Cell volume: 2111.1 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes