Information card for entry 4331292

Structure parameters

• Formula: C40 H68 K2 N2 O5
• Calculated formula: C40 H68 K2 N2 O5
• SMILES: [K]12([O]3CCCC3)([O](C)CC[O]1C)[N]1([K]345([O](CC[O]3C)C)[N]2([C]5(=[C]14C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and Reactivity of Nickel Hydride Complexes of an α-Diimine Ligand
• Authors of publication: Qingsong Dong; Yanxia Zhao; Yuanting Su; Ji-Hu Su; Biao Wu; Xiao-Juan Yang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13162 - 13170
• a: 10.847 ± 0.002 Å
• b: 11.184 ± 0.003 Å
• c: 19.628 ± 0.004 Å
• α: 73.746 ± 0.003°
• β: 74.564 ± 0.003°
• γ: 71.139 ± 0.003°
• Cell volume: 2122.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2444
• Weighted residual factors for all reflections included in the refinement: 0.2793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No