Information card for entry 7037768

Structure parameters

• Formula: C16 H18 Cl6 Fe2 In2 N6 O4
• Calculated formula: C16 H18 Cl6 Fe2 In2 N6 O4
• SMILES: [Fe](C#[O])(C#[O])(C#[O])(C#[O])([In](Cl)(Cl)Cl)[In](Cl)(Cl)Cl.[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: 12.4367 ± 0.0007 Å
• b: 15.9921 ± 0.0009 Å
• c: 16.263 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3234.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No