Information card for entry 4116391

Structure parameters

• Formula: C10 H24 F6 Fe N10 P
• Calculated formula: C10 H24 F6 Fe N10 P
• SMILES: C1[NH]2CCC[NH]3[Fe]42(N=N#N)([NH](CC3)CCC[NH]4C1)N=N#N.[P](F)(F)(F)(F)(F)[F-]
• 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: 7.858 ± 0.001 Å
• b: 13.323 ± 0.002 Å
• c: 9.335 ± 0.001 Å
• α: 90°
• β: 102.95 ± 0.02°
• γ: 90°
• Cell volume: 952.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.0858
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No