Information card for entry 7009922

Structure parameters

• Formula: C20 H24 Cr O10
• Calculated formula: C20 H24 Cr O10
• SMILES: [Cr]12345(C#[O])(C#[O])(C#[O])[c]6([cH]1[c]2([cH]3[c]4([cH]56)C(=O)O)C(=O)O)C(=O)O.CCCCOCCCC
• Title of publication: Combining hydrogen bonds with coordination chemistry or organometallic π-arene chemistry: strategies for inorganic crystal engineering †
• Authors of publication: Brammer, Lee; Rivas, Juan C. Mareque; Atencio, Reinaldo; Fang, Shiyue; Pigge, F. Christopher
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 3855
• a: 11.6029 ± 0.0003 Å
• b: 13.0537 ± 0.0002 Å
• c: 15.2638 ± 0.0002 Å
• α: 87.472 ± 0.001°
• β: 75.734 ± 0.001°
• γ: 86.752 ± 0.001°
• Cell volume: 2235.89 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 5 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: 0.1643
• Residual factor for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections: 0.3001
• Weighted residual factors for significantly intense reflections: 0.2674
• Goodness-of-fit parameter for all reflections: 1.145
• Goodness-of-fit parameter for significantly intense reflections: 1.328
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No