Information card for entry 7027533

Structure parameters

• Formula: C46 H41 Cl6 Cr O5 P2 Ta
• Calculated formula: C46 H41 Cl6 Cr O5 P2 Ta
• SMILES: [Ta]123456789([P]([Cr]([P]([c]%101[cH]2[cH]3[cH]4[cH]5%10)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)([c]1([c]6([c]9([c]8([c]71C)C)C)C)C)C#[O].ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Bidentate metalloligands containing the phosphinocyclopentadienyl ligand. New heterobimetallic complexes and crystal structure of (C5Me5)(C5H4PPh2)Ta(CO)(μ-PPh2)Cr(CO)4
• Authors of publication: Poulard, Cyril; Boni, Gilles; Richard, Philippe; Moïse, Claude
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2725
• a: 11.095 ± 0.002 Å
• b: 11.395 ± 0.002 Å
• c: 20.22 ± 0.002 Å
• α: 79.86 ± 0.03°
• β: 80.42 ± 0.03°
• γ: 72.31 ± 0.03°
• Cell volume: 2380 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No