Information card for entry 1544074

Structure parameters

• Chemical name: Bis[2-(pyrrol-2-ylmethyleneamino)-2'-methoxy-6,6'-dimethyl-1,1'-biphenyl-κ^2^<i>N,N</i>']bis(dimethylamido-κ<i>N</i>)vanadium(IV) toluene monosolvate
• Formula: C51 H58 N6 O2 V
• Calculated formula: C51 H58 N6 O2 V
• SMILES: [V]12([N](c3c(c(ccc3)C)c3c(OC)cccc3C)=Cc3n1ccc3)([N](c1c(c(ccc1)C)c1c(OC)cccc1C)=Cc1n2ccc1)(N(C)C)N(C)C.Cc1ccccc1
• Title of publication: Bis[2-(pyrrol-2-ylmethyleneamino)-2'-methoxy-6,6'-dimethyl-1,1'-biphenyl-κ^2^<i>N,N</i>']bis(dimethylamido-κ<i>N</i>)vanadium(IV) toluene monosolvate
• Authors of publication: Wang, Qiuwen; Xiong, Yihan; Deng, Xuebin
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 9
• Pages of publication: x161421
• a: 12.14 ± 0.001 Å
• b: 19.298 ± 0.0015 Å
• c: 19.449 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4556.5 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes