Information card for entry 4305186

Structure parameters

• Formula: C14 H20 Cl9 Fe2 N3
• Calculated formula: C14 H20 Cl9 Fe2 N3
• SMILES: c1cccc(CC[NH2+]CCc2cccc[nH+]2)[nH+]1.[Cl-][Fe](Cl)(Cl)Cl.[Cl-][Fe](Cl)(Cl)Cl.[Cl-]
• 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: 26.423 ± 0.004 Å
• b: 7.3275 ± 0.0012 Å
• c: 26.855 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5199.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No