Information card for entry 7037769

Structure parameters

• Formula: C16 H18 Br6 Fe2 In2 N6 O4
• Calculated formula: C16 H18 Br6 Fe2 In2 N6 O4
• SMILES: [Fe](C#[O])(C#[O])(C#[O])(C#[O])([In](Br)(Br)Br)[In](Br)(Br)Br.[Fe]([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC
• Title of publication: Synthesis and characterization of [Fe(NCCH3)6][cis-Fe(InX3)2(CO)4] (X = Cl, Br, I) containing two terminal indium fragments.
• Authors of publication: Itazaki, Masumi; Ito, Masaki; Nakashima, Satoru; Nakazawa, Hiroshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1327 - 1330
• a: 24.0932 ± 0.0007 Å
• b: 11.7087 ± 0.0003 Å
• c: 25.1339 ± 0.0007 Å
• α: 90°
• β: 93.6994 ± 0.0016°
• γ: 90°
• Cell volume: 7075.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No