Information card for entry 7011571

Structure parameters

• Formula: C16 H10 Cr N2 O5
• Calculated formula: C16 H10 Cr N2 O5
• SMILES: [Cr]1([N](c2ccc(O)cc2)=Cc2[n]1cccc2)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Hydrogen bonds in crystals of HO-(N∩N')M(CO)3L complexes: chains, dimers and an unexpected hexamer
• Authors of publication: Heinze, Katja; Jacob, Volker
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 11
• Pages of publication: 2379
• a: 35.203 ± 0.005 Å
• b: 35.203 ± 0.005 Å
• c: 6.526 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7004 ± 2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No