Information card for entry 4317535

Structure parameters

• Common name: H3N(CH2)2NH3.[PbPh2Cl3.VO(3-MeOsalen)]2
• Chemical name: {Diphenyltrichlorolead(IV).[N,N'-bis(3-methoxysalicylidene)ethane-1,2 -diaminato]oxovanadium(IV)}(1/1)/ethane-1,2-diammonium(2/1)
• Formula: C62 H66 Cl6 N6 O10 Pb2 V2
• Calculated formula: C62 H66 Cl6 N6 O10 Pb2 V2
• SMILES: c12O[V]34([N](CC[N]3=Cc3cccc(OC)c3O4)=Cc2cccc1OC)=O.[NH3+]CC[NH3+].c1(ccccc1)[Pb](c1ccccc1)(Cl)Cl.[Cl-].c12c(cccc1C=[N]1CC[N]3[V]1(O2)(Oc1c(C=3)cccc1OC)=O)OC.c1(ccccc1)[Pb](c1ccccc1)(Cl)Cl.[Cl-]
• Title of publication: Donor Properties of the Vanadyl Ion: Reactions of Vanadyl Salicylaldimine β-Ketimine and Acetylacetonato Complexes with Groups 14 and 15 Lewis Acids
• Authors of publication: B. Cashin; D. Cunningham; P. Daly; P. McArdle; M. Munroe; N. Ní Chonchubhair
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 773 - 782
• a: 26.785 ± 0.002 Å
• b: 13.753 ± 0.001 Å
• c: 22.371 ± 0.001 Å
• α: 90°
• β: 125.349 ± 0.001°
• γ: 90°
• Cell volume: 6721.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No