Information card for entry 2242163

Structure parameters

• Chemical name: Bis[2,6-bis(1-{[4-(dimethylamino)phenyl]imino-κ<i>N</i>}ethyl)pyridine-κ<i>N</i>]nickel dichloride‒dichloromethane‒water (1/2/2)
• Formula: C52 H66 Cl6 N10 Ni O2
• Calculated formula: C52 H66 Cl6 N10 Ni O2
• SMILES: [Ni]1234([N](=C(C)c5[n]1c(ccc5)C(=[N]2c1ccc(N(C)C)cc1)C)c1ccc(N(C)C)cc1)[N](=C(C)c1[n]3c(ccc1)C(=[N]4c1ccc(N(C)C)cc1)C)c1ccc(N(C)C)cc1.[Cl-].[Cl-].C(Cl)Cl.C(Cl)Cl.O.O
• Title of publication: Synthesis and crystal structure of a disubstituted nickel(II) bis[(dimethylaminophenylimino)ethyl]pyridine chloride complex
• Authors of publication: Matthews, Morgan; Sendzik, Madison; Bruggeman, Adrienne; Kearns, Claire; Oliver, Allen G.; Babbini, Dominic C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 8
• Pages of publication: 1167 - 1171
• a: 13.2227 ± 0.0005 Å
• b: 17.7311 ± 0.0006 Å
• c: 24.0242 ± 0.0009 Å
• α: 79.6276 ± 0.0012°
• β: 81.2551 ± 0.0012°
• γ: 89.3481 ± 0.0012°
• Cell volume: 5475.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes