Information card for entry 4122371

Structure parameters

• Formula: C18 H13 Cl2 Co N6 O3
• Calculated formula: C18 H13 Cl2 Co N6 O3
• SMILES: [Co]123(n4cccc4C=[N]1c1cc(Cl)c(Cl)cc1[N]2=Cc1n3ccc1)([N]#CC)ON(=O)=O
• Title of publication: Proton-Induced Reactivity of NO(-) from a {CoNO}(8) Complex.
• Authors of publication: Rhine, Melody A.; Rodrigues, Andria V.; Urbauer, Ramona J Bieber; Urbauer, Jeffrey L.; Stemmler, Timothy L.; Harrop, Todd C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 36
• Pages of publication: 12560 - 12563
• a: 11.086 ± 0.008 Å
• b: 12.066 ± 0.008 Å
• c: 14.35 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1920 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No