Information card for entry 2311378

Structure parameters

• Chemical name: <i>cis</i>-Bis[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ^2^<i>N</i>^1^,<i>S</i>]nickel(II) dimethylformamide monosolvate
• Formula: C27 H35 N7 Ni O S2
• Calculated formula: C27 H35 N7 Ni O S2
• SMILES: C1(CCCc2c1cccc2)=[N]1N=C(NC)S[Ni]21[N](=C1CCCc3c1cccc3)N=C(NC)S2.C(=O)N(C)C
• Title of publication: A new example of intra-molecular C-H⋯Ni anagostic inter-actions: synthesis, crystal structure and Hirshfeld analysis of <i>cis</i>-bis-[4-methyl-2-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)hydrazinecarbo-thio-amidato-κ²<i>N</i>¹,<i>S</i>]nickel(II) di-methyl-formamide monosolvate.
• Authors of publication: de Oliveira, Adriano Bof; Beck, Johannes; Mellone, Sônia Elizabeth Brown S; Daniels, Jörg
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 6
• Pages of publication: 859 - 863
• a: 12.5864 ± 0.0003 Å
• b: 11.6273 ± 0.0003 Å
• c: 19.1271 ± 0.0005 Å
• α: 90°
• β: 90.529 ± 0.001°
• γ: 90°
• Cell volume: 2799.05 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No