Information card for entry 7112674

Structure parameters

• Formula: C32 H35 Cl3 Cr N3 P2
• Calculated formula: C32 H35 Cl3 Cr N3 P2
• SMILES: [Cr]12(Cl)(Cl)(Cl)[N]3(C[P@]1(c1ccccc1)CN(C[P@@]2(C3)c1ccccc1)Cc1ccccc1)Cc1ccccc1.N#CC
• Title of publication: A rare terminal dinitrogen complex of chromium.
• Authors of publication: Mock, Michael T.; Chen, Shentan; Rousseau, Roger; O'Hagan, Molly J; Dougherty, William G.; Kassel, W. Scott; DuBois, Daniel L.; Bullock, R. Morris
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 44
• Pages of publication: 12212 - 12214
• a: 11.801 ± 0.003 Å
• b: 19.066 ± 0.005 Å
• c: 15.474 ± 0.004 Å
• α: 90°
• β: 112.137 ± 0.01°
• γ: 90°
• Cell volume: 3225 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1973
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No