Information card for entry 7009919

Structure parameters

• Formula: C10 H6 Cr O5
• Calculated formula: C10 H6 Cr O5
• SMILES: [Cr]12345(C#[O])([c]6(C(=O)O)[cH]1[cH]5[cH]4[cH]2[cH]36)(C#[O])C#[O]
• 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: 7.0349 ± 0.0003 Å
• b: 7.2332 ± 0.0003 Å
• c: 11.1518 ± 0.0005 Å
• α: 88.71 ± 0.001°
• β: 81.733 ± 0.001°
• γ: 63.012 ± 0.001°
• Cell volume: 499.82 ± 0.04 ų
• Cell temperature: 208 ± 5 K
• Ambient diffraction temperature: 208 ± 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: 0.0732
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.0981
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No