Information card for entry 4343895

Structure parameters

• Common name: 12249
• Formula: C39 H60 Cr N4 P3
• Calculated formula: C39 H60 Cr N4 P3
• SMILES: [Cr]12345[P](C(C)C)(CN3c3c(N(c6c(N4C[P]1(C(C)C)C(C)C)cccc6)c1ccccc1N5C[P]2(C(C)C)C(C)C)cccc3)C(C)C
• Title of publication: Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping.
• Authors of publication: Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7579 - 7592
• a: 11.1248 ± 0.0007 Å
• b: 20.1661 ± 0.0013 Å
• c: 17.3731 ± 0.0011 Å
• α: 90°
• β: 92.293 ± 0.001°
• γ: 90°
• Cell volume: 3894.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0655
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No