Information card for entry 7230200

Structure parameters

• Chemical name: Dicarbonyl-(h5-cyclopentadienyl)-iodoiron 1,2,4,5-tetrafluoro-3,6-diiodobenzene
• Formula: C10 H5 F2 Fe I2 O2
• Calculated formula: C10 H5 F2 Fe I2 O2
• Title of publication: Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band
• Authors of publication: Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 16
• Pages of publication: 2258
• a: 8.0151 ± 0.0004 Å
• b: 8.2003 ± 0.0005 Å
• c: 10.3911 ± 0.0006 Å
• α: 105.477 ± 0.001°
• β: 93.469 ± 0.001°
• γ: 95.421 ± 0.001°
• Cell volume: 652.64 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No