Information card for entry 7002687

Structure parameters

• Formula: C25 H30 Cl2 N6 Ni O8
• Calculated formula: C25 H30 Cl2 N6 Ni O8
• SMILES: [Ni]123([N](Cc4[n]1c(C)ccc4)(Cc1[n]2c(C)ccc1)Cc1[n]3c(C)ccc1)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: (μ-η2:η2-Disulfido)dinickel(II) complexes supported by 6-methyl-TPA ligands
• Authors of publication: Inosako, Masayuki; Kunishita, Atsushi; Kubo, Minoru; Ogura, Takashi; Sugimoto, Hideki; Itoh, Shinobu
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9410 - 9417
• a: 12.534 ± 0.005 Å
• b: 18.412 ± 0.009 Å
• c: 12.562 ± 0.006 Å
• α: 90°
• β: 92.573 ± 0.018°
• γ: 90°
• Cell volume: 2896 ± 2 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections included in the refinement: 0.0384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No