Primary crystal structure data for Compound 34. Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium

DOI: 10.14469/hpc/11390 Metadata

Created: 2022-10-12 09:08

Last modified: 2024-06-25 09:20

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Primary crystal structure data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34)

Files

FilenameSizeTypeDescription
AB2124.cif 332KB chemical/x-cif CIF processed data
AB2124.7z 184MB application/x-7z-compressed g7z archive of primary crystal data
AB2124.tar.gz 199MB application/gzip gip archive of primary crystal data
34.cdxml 20KB chemical/x-cdxml Chemdraw connection table
34.png 94KB image/png Image representation

Member of collection / collaboration

DOIDescription
10.14469/hpc/11373 Compound 34: Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium

Associated DOIs

Current dataset ...DOIDescription
References 10.5517/ccdc.csd.cc2d6q4h CSD Entry: VIPKIS
isReferencedBy 10.5517/ccdc.csd.cc2d6q4h CSD Entry: VIPKIS

Subject Keywords

KeywordValue
IFD.XRAY Crystal structure
inchi InChI=1S/4C12H12N2O3.Zr/c4*1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;/h4*3-8,15H,2H2,1H3;/q;;;;+4/p-4
inchikey UANOGLBNQFBPFY-UHFFFAOYSA-J
SMILES CCOC(C1=C(O2)N(C3=CC=CC=C3)N=C1)=O[Zr]4256(O=C(OCC)C7=C(O5)N(C8=CC=CC=C8)N=C7)(O=C(OCC)C9=C(O6)N(C%10=CC=CC=C%10)N=C9)OC%11=C(C(OCC)=O4)C=NN%11C%12=CC=CC=C%12

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