Information card for entry 4115885

Structure parameters

• Chemical name: Tetrakisacetatodiacetonitriledichromium(II)
• Formula: C16 H24 Cr2 N4 O8
• Calculated formula: C16 H24 Cr2 N4 O8
• SMILES: C(#N)C.C(C)#[N][Cr]1234[O]=C(C)O[Cr]1([N]#CC)([O]=C(C)O3)(OC(C)=[O]2)[O]=C(C)O4.C(#N)C
• Title of publication: After 155 Years, A Crystalline Chromium Carboxylate with a Supershort Cr-Cr Bond
• Authors of publication: F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo; Hong-Cai Zhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 416 - 417
• a: 10.701 ± 0.002 Å
• b: 10.206 ± 0.002 Å
• c: 10.912 ± 0.002 Å
• α: 90°
• β: 101.978 ± 0.004°
• γ: 90°
• Cell volume: 1165.8 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections: 0.1688
• Weighted residual factors for significantly intense reflections: 0.1458
• Goodness-of-fit parameter for all reflections: 1.096
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No