Information card for entry 4331289

Structure parameters

• Formula: C71 H108 N4 Na2 Ni2 O4
• Calculated formula: C71 H108 N4 Na2 Ni2 O4
• SMILES: [Ni]123([N]4([Na]567([O](C)CC[O]6C)[N]1([C]7(=[C]45C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C1C4[Ni]567([N]8([Na]9%10%115([O](C)CC[O]9C)[N]6([C]%10(=[C]8%11C)C)c5c(cccc5C(C)C)C(C)C)c5c(cccc5C(C)C)C(C)C)[C](C)(=[CH]47)[CH]2=[CH]31
• 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: 14.197 ± 0.007 Å
• b: 16.075 ± 0.008 Å
• c: 16.911 ± 0.008 Å
• α: 94.45 ± 0.007°
• β: 93.159 ± 0.006°
• γ: 103.437 ± 0.006°
• Cell volume: 3732 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No