Information card for entry 2241993

Structure parameters

• Chemical name: μ-Carbonyl-1:2κ^2^<i>C</i>:<i>C</i>-carbonyl-1κ<i>C</i>-(1η^5^-cyclopentadienyl)iodido-2κ<i>I</i>-[μ-2-(pyridin-2-yl)ethene-1,1-diyl-1κ<i>C</i>^1^:2κ^2^<i>N</i>,<i>C</i>^1^]ironpalladium(<i>Fe</i>—<i>Pd</i>) benzene monosolvate
• Formula: C20 H16 Fe I N O2 Pd
• Calculated formula: C20 H16 Fe I N O2 Pd
• SMILES: [Pd]123(C([Fe]45671(C#[O])(C3=O)[cH]1[cH]4[cH]5[cH]6[cH]71)=Cc1[n]2cccc1)I.c1ccccc1
• Title of publication: Crystal structure of μ-carbonyl-1:2κ^2^<i>C</i>:<i>C</i>-carbonyl-1κ<i>C</i>-(1η^5^-cyclopentadienyl)iodido-2κ<i>I</i>-[μ-2-(pyridin-2-yl)ethene-1,1-diyl-1κ<i>C</i>^1^:2κ^2^<i>N</i>,<i>C</i>^1^]ironpalladium(<i>Fe</i>—<i>Pd</i>) benzene monosolvate
• Authors of publication: Verpekin, Victor V.; Kreindlin, Arkadii Z.; Semeikin, Oleg V.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Chudin, Oleg S.; Ustynyuk, Nikolai A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 68 - 71
• a: 14.3058 ± 0.0008 Å
• b: 9.0983 ± 0.0005 Å
• c: 14.7315 ± 0.0008 Å
• α: 90°
• β: 100.553 ± 0.001°
• γ: 90°
• Cell volume: 1885 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes