Information card for entry 7109243

Structure parameters

• Formula: C46.9 H59.6 Cr2 N10 O8
• Calculated formula: C42 H54 Cr2 N10 O8
• SMILES: c1(c(cccc1CC)CC)N1C=[N](c2c(CC)cccc2CC)[Cr]23(N=O)(N=O)N(c4c(CC)cccc4CC)C=[N](c4c(CC)cccc4CC)[Cr]1(N=O)(N=O)([O]2N=O)[O]3N=O
• Title of publication: Divergent reactivity of nitric oxide with metal-metal quintuple bonds
• Authors of publication: Pei-Fang Wu; Shih-Cheng Liu; Yun-Jen Shieh; Ting-Shen Kuo; Gene-Hsiang Lee; Yu Wang; Yi-Chou Tsai
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4391
• a: 19.5267 ± 0.0005 Å
• b: 17.9584 ± 0.0005 Å
• c: 14.7203 ± 0.0005 Å
• α: 90°
• β: 97.636 ± 0.001°
• γ: 90°
• Cell volume: 5116.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2428
• Weighted residual factors for all reflections included in the refinement: 0.262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No