Information card for entry 7009641

Structure parameters

• Formula: C41 H29 Cr N O4 P2
• Calculated formula: C41 H29 Cr N O4 P2
• SMILES: [Cr]1([P](c2c(C=[N]1c1c(P(c3ccccc3)c3ccccc3)cccc1)cccc2)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, structure and kinetics of Group 6 metal carbonyl complexes containing a new 'P2N' mixed donor multidentate ligand †
• Authors of publication: Ainscough, Eric W.; Brodie, Andrew M.; Buckley, Paul D.; Burrell, Anthony K.; Kennedy, Steven M. F.; Waters, Joyce M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2663
• a: 14.429 ± 0.003 Å
• b: 29.433 ± 0.006 Å
• c: 17.389 ± 0.003 Å
• α: 90°
• β: 108.4 ± 0.03°
• γ: 90°
• Cell volume: 7007 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1028
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No