Information card for entry 7131852

Structure parameters

• Formula: C66 H90 Cr2 N4 P2
• Calculated formula: C66 H90 Cr2 N4 P2
• SMILES: [Cr]12345[Cr]67([P]81C5(C(C)(C)C)[P]26C78C(C)(C)C)(N(c1[n]3c(ccc1)c1c(cccc1C)C)c1c(cccc1C(C)C)C(C)C)[n]1c(N4c2c(cccc2C(C)C)C(C)C)cccc1c1c(cccc1C)C.CCCCCC
• Title of publication: Unusual coordination mode for 1,3-diphosphete ligands towards a Cr-Cr quintuple bond complex.
• Authors of publication: Elsayed Moussa, M.; Rummel, E.-M.; Balázs, G; Riesinger, C.; Noor, A.; Kempe, R.; Scheer, M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 55
• Pages of publication: 8588 - 8591
• a: 12.8677 ± 0.0002 Å
• b: 13.10453 ± 0.00019 Å
• c: 18.2132 ± 0.0003 Å
• α: 99.9375 ± 0.0013°
• β: 90.7104 ± 0.0013°
• γ: 92.7071 ± 0.0012°
• Cell volume: 3021.09 ± 0.08 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No