Crystal and molecular structure of [Cu(pyrimidine)4]2BF4

Autor:	Brook Novak, Steven W. Keller
Rok vydání:	1997
Předmět:	Coordination sphere Hydrogen bond chemistry.chemical_element General Chemistry Crystal structure Condensed Matter Physics Copper Crystallography chemistry.chemical_compound chemistry Molecule Single crystal Organometallic chemistry Monoclinic crystal system
Zdroj:	Journal of Chemical Crystallography. 27:279-282
ISSN:	1572-8854 1074-1542
DOI:	10.1007/bf02575974
Popis:	The crystal structure of [Cu(pyrimidine)4]2BF4 was determined using single crystal X-ray diffraction. The compound crystallizes in the monoclinic space groupP21/n, with lattice parametersa=9.9736(8),b=13.872(1),c=16.568(1) A. β=98.002(1), andZ=8, yielding a calculated density of 1.857 g/cm3. The Jahn-Teller distorted copper coordination sphere is composed of the four pyrimidine ligands in the equatorial positions (ave. Cu−N=2.02 A) and the longer axial bonds from the copper to one fluorine (ave Cu−F=2.39 A) on each of the BF 4 − anions. The crystal structure features layers of molecules having interleaved pyrimidine rings: the layers are connected through intermolecular H … F hydrogen bonds.
Databáze:	OpenAIRE
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