Search results for "phosphetane"

showing 3 items of 3 documents

A Comprehensive Experimental and Theoretical Study on the [{(η5-C5H5)2Zr[P(µ-PNEt2)2P(NEt2)2P]}]2O Crystalline System

2021

The structure of tetraphosphetane zirconium complex C52H100N8OP10Zr21 was determined by single crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c, with a = 19.6452(14), b = 17.8701(12), c = 20.7963(14)Å, α = γ = 90°, β = 112.953(7)°, V = 6722.7(8)Å3, Z = 4. The electronic structure of the organometallic complex has been characterized within the framework of Quantum Chemical Topology. The topology of the Electron Localization Function (ELF) and the electron density according to the Quantum Theory of Atoms in Molecules (QTAIM) show no covalent bonds involving the Zr atom, but rather dative, coordinate interactions between the metal and the liga…

Organic ChemistryPharmaceutical SciencephosphetaneX-ray crystal structureArticleAnalytical ChemistryQD241-441ELFQTAIMChemistry (miscellaneous)zirconoceneX-ray crystal structure; zirconocene; phosphetane; ELF; QTAIMDrug DiscoveryMolecular MedicinePhysical and Theoretical ChemistryMolecules
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CCDC 1485220: Experimental Crystal Structure Determination

2017

Related Article: Cameron M. E. Graham, Taylor E. Pritchard, Paul D. Boyle, Juuso Valjus, Heikki M. Tuononen, Paul J. Ragogna|2017|Angew.Chem.,Int.Ed.|56|6236|doi:10.1002/anie.201611196

Space GroupCrystallography24-bis(22''44''66''-hexamethyl-11':3'1''-terphenyl-2'-yl)-1324-dithiadiphosphetane unknown solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1485221: Experimental Crystal Structure Determination

2017

Related Article: Cameron M. E. Graham, Taylor E. Pritchard, Paul D. Boyle, Juuso Valjus, Heikki M. Tuononen, Paul J. Ragogna|2017|Angew.Chem.,Int.Ed.|56|6236|doi:10.1002/anie.201611196

Space GroupCrystallographyCrystal System24-bis(22''44''66''-hexamethyl-11':3'1''-terphenyl-2'-yl)-1324-diselenadiphosphetaneCrystal StructureCell ParametersExperimental 3D Coordinates
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