Information card for entry 4305801

Structure parameters

• Common name: compound 1, polymorph alpha
• Formula: C18 H18 Cr N3 O6
• Calculated formula: C18 H18 Cr N3 O6
• SMILES: [Cr]123([O]=C(C)C(=C(O1)C)C#N)(OC(=C(C(=[O]2)C)C#N)C)OC(=C(C(=[O]3)C)C#N)C
• Title of publication: Bimetallic Coordination Polymers via Combination of Substitution-Inert Building Blocks and Labile Connectors
• Authors of publication: Malgorzata Kondracka; Ulli Englert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10246 - 10257
• a: 15.177 ± 0.003 Å
• b: 12.993 ± 0.002 Å
• c: 20.862 ± 0.004 Å
• α: 90°
• β: 108.435 ± 0.003°
• γ: 90°
• Cell volume: 3902.8 ± 1.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.0775
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No