Information card for entry 7706383

Structure parameters

• Formula: C6 Ir K3 N6
• Calculated formula: C6 Ir K3 N6
• Title of publication: Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)₄.
• Authors of publication: Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 1990 - 1994
• a: 10.532 ± 0.0004 Å
• b: 8.4511 ± 0.0003 Å
• c: 13.5945 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1210.01 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No