Information card for entry 4082686

Structure parameters

• Formula: C20 H36 N2 O Zn
• Calculated formula: C20 H36 N2 O Zn
• SMILES: [ZnH]12Oc3c(cc(cc3C(C)(C)C)C(C)(C)C)C[N]1(CC[N]2(C)C)C
• Title of publication: Mononuclear Phenolate Diamine Zinc Hydride Complexes and Their Reactions With CO2.
• Authors of publication: Brown, Neil J.; Harris, Jonathon E.; Yin, Xinning; Silverwood, Ian; White, Andrew J. P.; Kazarian, Sergei G.; Hellgardt, Klaus; Shaffer, Milo S. P.; Williams, Charlotte K.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 5
• Pages of publication: 1112 - 1119
• a: 9.84073 ± 0.00016 Å
• b: 22.5493 ± 0.0003 Å
• c: 10.30573 ± 0.00016 Å
• α: 90°
• β: 111.113 ± 0.0018°
• γ: 90°
• Cell volume: 2133.35 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No