Information card for entry 4119718

Structure parameters

• Formula: C20 H29 Cl2 Fe N5 O
• Calculated formula: C20 H29 Cl2 Fe N5 O
• SMILES: [Fe]12(Cl)(Cl)([OH]C)[n]3[nH]c(cc3c3[n]2c(ccc3)c2[n]1[nH]c(c2)C(C)(C)C)C(C)(C)C
• Title of publication: N-N Bond Cleavage of Hydrazines with a Multiproton-Responsive Pincer-Type Iron Complex
• Authors of publication: Kazuki Umehara; Shigeki Kuwata; Takao Ikariya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 6754 - 6757
• a: 10.0368 ± 0.0018 Å
• b: 11.521 ± 0.003 Å
• c: 11.8274 ± 0.0019 Å
• α: 92.243 ± 0.013°
• β: 112.631 ± 0.014°
• γ: 113.778 ± 0.012°
• Cell volume: 1124.2 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No