Information card for entry 4331286

Structure parameters

• Formula: C64 H102 K2 N4 Ni2 O4
• Calculated formula: C64 H102 K2 N4 Ni2 O4
• SMILES: C1(C(C)=[N](c2c(cccc2C(C)C)C(C)C)[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)C.[K]1[O](CC[O]1C)C.[K]1[O](CC[O]1C)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: 13.166 ± 0.003 Å
• b: 13.2295 ± 0.0016 Å
• c: 13.2545 ± 0.0016 Å
• α: 119.364 ± 0.001°
• β: 109.081 ± 0.002°
• γ: 98.37 ± 0.002°
• Cell volume: 1765.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No