Dataset Information
A Comprehensive Experimental and Theoretical Study on the [{(η5-C5H5)2Zr[P(µ-PNEt2)2P(NEt2)2P]}]2O Crystalline System.
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ABSTRACT:
SUBMITTER: Lapczuk-Krygier A
PROVIDER: S-EPMC8658821 | biostudies-literature | 2021 Nov
REPOSITORIES: biostudies-literature
Publications
A Comprehensive Experimental and Theoretical Study on the [{(η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>)<sub>2</sub>Zr[P(µ-PNEt<sub>2</sub>)<sub>2</sub>P(NEt<sub>2</sub>)<sub>2</sub>P]}]<sub>2</sub>O Crystalline System.
Molecules (Basel, Switzerland) 20211130 23
The structure of tetraphosphetane zirconium complex C<sub>52</sub>H<sub>100</sub>N<sub>8</sub>OP<sub>10</sub>Zr<sub>2</sub><b>1</b> 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. Th ...[more]