0000000001319046

AUTHOR

Karolin Kobalz

showing 2 related works from this author

Azide Binding Controlled by Steric Interactions in Second Sphere. Synthesis, Crystal Structure, and Magnetic Properties of [Ni II 2 (L)(μ 1,1 -N 3 )]…

2016

International audience; The dinuclear Ni-II complex [Ni-2(L-2)][ClO4](2) (3) supported by the 28-membered hexaaza-dithiophenolate macro-cycle (L-2)(2-) binds the N-3(-) ion specifically end-on yielding [Ni-2(L-2)(mu(1,1)-N-3)] [ClO4] (7) or [Ni-2(L-2)(mu(1,1)-N-3)][BPh4] (8), while the previously reported complex [Ni2L1(mu(1,3)-N-3)][ClO4] (2) of the 24-membered macrocycle (L-1)(2-) coordinates it in the end-to-end fashion. A comparison of the X-ray structures of 2, 3, and 7 reveals the form-selective binding of complex 3 to be a consequence of its preorganized, channel-like binding pocket, which accommodates the azide anion via repulsive CH center dot center dot center dot pi interactions …

Steric effectsequilibrium-constantsStereochemistrytransition-metal-complexesCrystal structure010402 general chemistry01 natural sciences[ CHIM ] Chemical Sciencessolvation free-energyInorganic Chemistrychemistry.chemical_compoundtetranuclear nickel(ii) complexes[CHIM.CRIS]Chemical Sciences/CristallographyAntiferromagnetismMolecule[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical Chemistrymu-azidoEquilibrium constantmolecular-structure010405 organic chemistryChemistryLigandni-ii[ CHIM.INOR ] Chemical Sciences/Inorganic chemistryend-to-end0104 chemical sciencesexchange interactionsCrystallographyAzideGround stateorbital interactions[ CHIM.RADIO ] Chemical Sciences/Radiochemistry
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CCDC 1437970: Experimental Crystal Structure Determination

2016

Related Article: Alexander Jeremies, Sina Gruschinski, Michel Meyer, Vitaly Matulis, Oleg A. Ivashkevich, Karolin Kobalz, and Berthold Kersting|2016|Inorg.Chem.|55|1843|doi:10.1021/acs.inorgchem.5b02743

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(mu-azido)-(mu-1531-di-t-butyl-723-dimethyl-3711192327-hexaazatricyclo[27.3.1.11317]tetratriaconta-1(33)13(34)14162931-hexaene-3334-dithiolato)-di-nickel(ii) perchlorate ethanol solvateExperimental 3D Coordinates
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