Information card for entry 2219383

Structure parameters

• Chemical name: {4,4',5,5'-Tetramethyl-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethylidyne]diphenolato}nickel(II)‒methanol‒chloroform (1/1/1)
• Formula: C24 H31 Cl3 N2 Ni O3
• Calculated formula: C24 H31 Cl3 N2 Ni O3
• SMILES: [Ni]123Oc4cc(c(cc4C(=[N]2CC[N]3=C(c2cc(c(cc2O1)C)C)C)C)C)C.ClC(Cl)Cl.OC
• Title of publication: {4,4',5,5'-Tetramethyl-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethylidyne]diphenolato}nickel(II)‒methanol‒chloroform (1/1/1)
• Authors of publication: Fun, Hoong-Kun; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1116 - m1117
• a: 7.5473 ± 0.0001 Å
• b: 12.3899 ± 0.0002 Å
• c: 14.2481 ± 0.0002 Å
• α: 75.949 ± 0.001°
• β: 83.761 ± 0.001°
• γ: 74.693 ± 0.001°
• Cell volume: 1245.21 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0558
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes