Di-μ3-chlorido-1:2:3κ3Cl,2:3:4κ3Cl-di-μ2-chlorido-1:2κ2Cl,3:4κ2Cl-tetrakis[(4-amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one-κ2N4,O)-chloridocadmium(II)] 1.7-hydrate: a new six-coordinate geometry index, τ6
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F25%3A00635573" target="_blank" >RIV/68378271:_____/25:00635573 - isvavai.cz</a>
Result on the web
<a href="https://hdl.handle.net/11104/0367653" target="_blank" >https://hdl.handle.net/11104/0367653</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1107/S2056989025003123" target="_blank" >10.1107/S2056989025003123</a>
Alternative languages
Result language
angličtina
Original language name
Di-μ3-chlorido-1:2:3κ3Cl,2:3:4κ3Cl-di-μ2-chlorido-1:2κ2Cl,3:4κ2Cl-tetrakis[(4-amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one-κ2N4,O)-chloridocadmium(II)] 1.7-hydrate: a new six-coordinate geometry index, τ6
Original language description
The title centrosymmetric tetranuclear cadmium(II) complex of 4-aminoantipyrine and chloride ions, [Cd4Cl8(C11H13N3O)4]·1.7H2O, was synthesized using methanol as solvent. The two independent Cd2+ ions in the asymmetric unit have different geometries, the outer Cd atoms have fivefold CdONCl3 coordination spheres, while the inner Cd atoms have sixfold CdONCl4 coordination spheres. The complex is consolidated by intramolecular N—H...O and N—H...Cl hydrogen bonds. In the crystal, a combination of N—H...Cl and Ow—H...Cl (w = water) hydrogen bonds link the components to form chains propagating along the a-axis direction. The chains are crosslinked by C—H...Cl and C—H...O hydrogen bonds to form a three-dimensional structure. A new geometry index, τ6, is proposed to quantitatively estimate the geometry of a sixfold coordinated atom.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
<a href="/en/project/LM2018110" target="_blank" >LM2018110: CzechNanoLab research infrastructure</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Acta Crystallographica Section E-Structure Reports Online
ISSN
1600-5368
e-ISSN
2056-9890
Volume of the periodical
81
Issue of the periodical within the volume
5
Country of publishing house
GB - UNITED KINGDOM
Number of pages
15
Pages from-to
393-400
UT code for WoS article
001482938400008
EID of the result in the Scopus database
2-s2.0-105004919634