Information card for entry 4116450

Structure parameters

• Chemical name: Tetrakis(2,2'-dipyridylamidinato)dichromium(II)
• Formula: C42 H36 Cl4 Cr2 N12
• Calculated formula: C42 H36 Cl4 Cr2 N12
• SMILES: c1cccc2[n]1[Cr]134[Cr](N2c2ccccn2)(N(c2cccc[n]12)c1ccccn1)([n]1ccccc1N3c1ccccn1)[n]1ccccc1N4c1ccccn1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes
• Authors of publication: F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 6856 - 6861
• a: 23.966 ± 0.006 Å
• b: 9.581 ± 0.002 Å
• c: 19.106 ± 0.004 Å
• α: 90°
• β: 104.763 ± 0.005°
• γ: 90°
• Cell volume: 4242.3 ± 1.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.1319
• Weighted residual factors for significantly intense reflections: 0.1255
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No