Information card for entry 7011573

Structure parameters

• Formula: C20 H19 Cr N3 O4
• Calculated formula: C20 H19 Cr N3 O4
• SMILES: [Cr]1([N](c2ccc(O)cc2)=Cc2[n]1cccc2)(C#[O])(C#[O])(C#[O])C#[N]C(C)(C)C
• 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: 11.469 ± 0.002 Å
• b: 12.979 ± 0.003 Å
• c: 13.105 ± 0.003 Å
• α: 90°
• β: 91.81 ± 0.03°
• γ: 90°
• Cell volume: 1949.8 ± 0.7 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0681
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No