Information card for entry 4116392

Structure parameters

• Formula: C10 H24 Cl Fe N10 O4
• Calculated formula: C10 H24 Cl Fe N10 O4
• SMILES: [Fe]123([NH]4CCC[NH]1CC[NH]2CCC[NH]3CC4)(N=N#N)N=N#N.Cl(=O)(=O)(=O)[O-]
• Title of publication: Photolysis of cis- and trans-[FeIII(cyclam)(N3)2]+ Complexes: Spectroscopic Characterization of a Nitridoiron(V) Species
• Authors of publication: Karsten Meyer; Eckhard Bill; Bernd Mienert; Thomas Weyhermüller; Karl Wieghardt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 4859 - 4876
• a: 13.641 ± 0.002 Å
• b: 8.851 ± 0.001 Å
• c: 15.266 ± 0.003 Å
• α: 90°
• β: 99.53 ± 0.02°
• γ: 90°
• Cell volume: 1817.7 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.0849
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No