Information card for entry 4080722

Structure parameters

• Formula: C84 H128 K2 N6 Ni2 O6
• Calculated formula: C84 H128 K2 N6 Ni2 O6
• SMILES: C1(C(=[N]([Ni]([N]=1c1c(C(C)C)cccc1C(C)C)[n]1c2ccccc2[n](c2ccccc12)[Ni]1[N](=C(C(C)=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C)C.[K]1[O](C)CC[O]1C.O(CC)CC.[K]1[O](C)CC[O]1C.O(CC)CC
• Title of publication: Nickel Complexes with Two Types of Noninnocent Ligands: α-Diimine and Phenazine
• Authors of publication: Dong, Qingsong; Su, Ji-Hu; Gong, Shida; Li, Qian-Shu; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2866
• a: 10.7791 ± 0.0017 Å
• b: 13.479 ± 0.002 Å
• c: 15.832 ± 0.002 Å
• α: 94.52 ± 0.002°
• β: 107.634 ± 0.002°
• γ: 102.176 ± 0.002°
• Cell volume: 2117.6 ± 0.5 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: 0.0608
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No