Information card for entry 8102110

Structure parameters

• Chemical name: methanol-(1,10-phenanthroline-N,N')-trichloro-iron(III) methanol solvate
• Formula: C14 H16 Cl3 Fe N2 O2
• Calculated formula: C14 H16 Cl3 Fe N2 O2
• SMILES: [Fe]1([n]2cccc3ccc4ccc[n]1c4c23)(Cl)(Cl)(Cl)[OH]C.OC
• Title of publication: Refinement of the crystal structure of methanol-(1,10-phenanthroline- N,N')-trichloro-iron(III) methanol solvate, FeCl~3~(CH~3~OH)(C~12~H~8~N~2~) · CH~3~OH
• Authors of publication: Khavasi, H. R.; Amani, V.; Safari, N.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 2
• Pages of publication: 155 - 156
• a: 8 ± 0.006 Å
• b: 14.835 ± 0.0013 Å
• c: 14.8351 ± 0.0015 Å
• α: 90°
• β: 101.017 ± 0.006°
• γ: 90°
• Cell volume: 1728.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No