Information card for entry 4307341

Structure parameters

• Chemical name: acetonitriledichloroiron(II)
• Formula: C2 H3 Cl2 Fe N
• Calculated formula: C2 H3 Cl2 Fe N
• 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: 18.2005 ± 0.0002 Å
• b: 8.38085 ± 0.00008 Å
• c: 3.6573 ± 0.00004 Å
• α: 90°
• β: 94.167 ± 0.003°
• γ: 90°
• Cell volume: 556.394 ± 0.01 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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 R(I) for significantly intense reflections: 0.015
• Goodness-of-fit parameter for all reflections: 1.715
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.6908 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No