Information card for entry 4107768

Structure parameters

• Common name: holrc02
• Formula: C102 H136 D12 Fe2 N10
• Calculated formula: C102 H148 Fe2 N10
• Title of publication: A Bridging Hexazene (RNNNNNNR) Ligand from Reductive Coupling of Azides
• Authors of publication: Ryan E. Cowley; Jérôme Elhaïk; Nathan A. Eckert; William W. Brennessel; Eckhard Bill; Patrick L. Holland
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6074 - 6075
• a: 24.789 ± 0.003 Å
• b: 24.031 ± 0.003 Å
• c: 15.525 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9248 ± 2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No