Information card for entry 4305180

Structure parameters

• Formula: C14 H16 Cl2 Cr N3 O
• Calculated formula: C14 H16 Cl2 Cr N3 O
• SMILES: c1cccc2CC[N]34CCc5cccc[n]5[Cr]3(Cl)(Cl)([n]12)O4
• Title of publication: Transition Metal Coordination Chemistry of N,N-Bis(2-{pyrid-2-ylethyl})hydroxylamine
• Authors of publication: Christopher W. Belock; Anil Çetin; Natalie V. Barone; Christopher J. Ziegler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7114 - 7120
• a: 7.488 ± 0.001 Å
• b: 13.2153 ± 0.0018 Å
• c: 15.329 ± 0.002 Å
• α: 90°
• β: 102.449 ± 0.002°
• γ: 90°
• Cell volume: 1481.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No