Information card for entry 4116451

Structure parameters

• Chemical name: Tetrakis(2,6-diphenyliminopiperidinato)dichromium(II)
• Formula: C72 H72 Cr2 N12 O
• Calculated formula: C72 H72 Cr2 N12 O
• SMILES: [Cr]1234[Cr]([N](=C5N1C(=N\c1ccccc1)\CCC5)c1ccccc1)(N1/C(=N/c5ccccc5)CCCC1=[N]2c1ccccc1)([N](=C1N3/C(=N/c2ccccc2)CCC1)c1ccccc1)N1C(=N\c2ccccc2)\CCCC1=[N]4c1ccccc1.O1CCCC1
• 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: 27.2495 ± 0.0008 Å
• b: 16.4863 ± 0.0013 Å
• c: 29.413 ± 0.002 Å
• α: 90°
• β: 110.416 ± 0.005°
• γ: 90°
• Cell volume: 12383.6 ± 1.4 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: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections: 0.1555
• Weighted residual factors for significantly intense reflections: 0.1325
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No