Information card for entry 4307344

Structure parameters

• Chemical name: acetonitriledichloroiron(II)
• Formula: C10 H23 Cl3 Co N2
• Calculated formula: C10 H23 Cl3 Co N2
• SMILES: [Co](Cl)(Cl)(Cl)[N]#CC.[N+](CC)(CC)(CC)CC
• Title of publication: Structural and Magnetic Properties of MCl2 (M = Fe, Mn, Co): Acetonitrile Solvates
• Authors of publication: Konstantin I. Pokhodnya; Michael Bonner; Antonio G. DiPasquale; Arnold L. Rheingold; Jae-Hyuk Her; Peter W. Stephens; Jong-Won Park; Bretni S. Kennon; Atta M. Arif; Joel S. Miller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2471 - 2477
• a: 7.2674 ± 0.0005 Å
• b: 13.274 ± 0.0009 Å
• c: 8.2674 ± 0.0005 Å
• α: 90°
• β: 90.018 ± 0.001°
• γ: 90°
• Cell volume: 797.54 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No