Information card for entry 4115886

Structure parameters

• Common name: none
• Chemical name: Tetrakis(2,4,6-triisopropylbenzoicactato)dichromium(II)
• Formula: C64 H92 Cr2 O8
• Calculated formula: C64 H88 Cr2 O8
• SMILES: [Cr]1234[O]=C(O[Cr]2([O]=C(O3)c2c(cc(cc2C(C)C)C(C)C)C(C)C)(OC(=[O]1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[O]=C(O4)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)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: 9.7448 ± 0.0006 Å
• b: 11.7879 ± 0.0007 Å
• c: 14.6524 ± 0.0011 Å
• α: 70.899 ± 0.001°
• β: 70.691 ± 0.001°
• γ: 76.115 ± 0.001°
• Cell volume: 1484.52 ± 0.17 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.1597
• Weighted residual factors for significantly intense reflections: 0.1519
• Goodness-of-fit parameter for all reflections: 1.135
• Goodness-of-fit parameter for significantly intense reflections: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No