Information card for entry 2240142

Structure parameters

• Chemical name: μ-1κ<i>C</i>:2(η^2^)-Carbonyl-carbonyl-1κ<i>C</i>-\ chlorido-2κ<i>Cl</i>-μ-chloridoborylene-1:2κ^2^<i>B</i>:<i>B</i>-\ [1(η^5^)-pentamethylcyclopentadienyl](tricyclohexylphosphane-\ 2κ<i>P</i>)iron(II)platinum(II) benzene monosolvate
• Formula: C36 H54 B Cl2 Fe O2 P Pt
• Calculated formula: C36 H54 B Cl2 Fe O2 P Pt
• SMILES: [Pt]12([Fe]3456(B1Cl)(C2=O)(C#[O])[c]1([c]6([c]5([c]4([c]31C)C)C)C)C)(Cl)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.c1ccccc1
• Title of publication: Crystal structure of μ-1κ<i>C</i>:2(η^2^)-carbonyl-carbonyl-1κ<i>C</i>-chlorido-2κ<i>Cl</i>-μ-chloridoborylene-1:2κ^2^<i>B</i>:<i>B</i>-[1(η^5^)-pentamethylcyclopentadienyl](tricyclohexylphosphane-2κ<i>P</i>)iron(II)platinum(II) benzene monosolvate
• Authors of publication: Braunschweig, Holger; Kramer, Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 421 - 423
• a: 9.4578 ± 0.0002 Å
• b: 12.6902 ± 0.0003 Å
• c: 30.513 ± 0.0009 Å
• α: 90°
• β: 96.334 ± 0.001°
• γ: 90°
• Cell volume: 3639.86 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes