Information card for entry 7012697

Structure parameters

• Formula: C40 H32 Cl2 Co Fe2 N2 O10 P2
• Calculated formula: C40 H32 Cl2 Co Fe2 N2 O10 P2
• SMILES: [Fe]([P](c1ccccc1)(c1ccccc1)CC1=[N]([Co](Cl)(Cl)[N]2CCOC=2C[P]([Fe](C#[O])(C#[O])(C#[O])C#[O])(c2ccccc2)c2ccccc2)CCO1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Phosphinooxazolines as assembling ligands in heterometallic complexes
• Authors of publication: Braunstein, Pierre; Clerc, Guislaine; Morise, Xavier; Welter, Richard; Mantovani, Giuseppe
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1601
• a: 9.619 ± 0.005 Å
• b: 14.35 ± 0.005 Å
• c: 30.846 ± 0.005 Å
• α: 90°
• β: 92.441 ± 0.005°
• γ: 90°
• Cell volume: 4254 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1484
• Residual factor for significantly intense reflections: 0.122
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.2545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No