Information card for entry 4343896

Structure parameters

• Common name: 12189
• Formula: C39 H60 Cr2 N4 P3
• Calculated formula: C39 H60 Cr2 N4 P3
• SMILES: c12ccccc1N1[Cr]345[N]62c2ccccc2N3C[P]([Cr]4([P](CN5c2c6cccc2)(C(C)C)C(C)C)[P](C1)(C(C)C)C(C)C)(C(C)C)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: 16.067 ± 0.003 Å
• b: 16.067 ± 0.003 Å
• c: 11.673 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2609.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 150
• Hermann-Mauguin space group symbol: P 3 2 1
• Hall space group symbol: P 3 2"
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No