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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/LM2018110" target="_blank" >LM2018110: Výzkumná infrastruktura CzechNanoLab</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Acta Crystallographica Section E-Structure Reports Online

ISSN

1600-5368

e-ISSN

2056-9890

Svazek periodika

81

Číslo periodika v rámci svazku

5

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

15

Strana od-do

393-400

Kód UT WoS článku

001482938400008

EID výsledku v databázi Scopus

2-s2.0-105004919634