Information card for entry 4331284

Structure parameters

• Formula: C72 H122 K N4 Ni2 O8
• Calculated formula: C72 H122 K N4 Ni2 O8
• SMILES: C1(C(C)=[N]([Ni]23([H][Ni]43([N](=C(C(C)=[N]4c3c(cccc3C(C)C)C(C)C)C)c3c(cccc3C(C)C)C(C)C)[H]2)[N]=1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C.[K]1234([O](C)CC[O]1C)([O](C)CC[O]2C)([O](C)CC[O]3C)[O](C)CC[O]4C
• 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: 13.2561 ± 0.0013 Å
• b: 36.709 ± 0.004 Å
• c: 17.7651 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8644.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No