Information card for entry 4130564

Structure parameters

• Common name: holpg01
• Formula: C29 H41 Cl Fe N2 O
• Calculated formula: C29 H41 Cl Fe N2 O
• Title of publication: The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.
• Authors of publication: Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 37
• Pages of publication: 12112 - 12123
• a: 8.2811 ± 0.0006 Å
• b: 16.2945 ± 0.0012 Å
• c: 20.4576 ± 0.0016 Å
• α: 90°
• β: 96.811 ± 0.002°
• γ: 90°
• Cell volume: 2741 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0551
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No