Bis(pyrimidine-2-carboxylato-κ2N,O)copper(II)

This material is Open Knowlege

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Publisher: Acta Crystallographica
Journal: Section E
Year/Issue: 2008/01-00

Article (via DOI): 10.1107/S1600536807060977
Compound Class:organometallic
Date Recorded:2007-11-19

Contact Author: Dr. Jing-Jing Nie
e-mail: niejj@zju.edu.cn

Data collection parameters

Chemical formula sum
Chemical formula moietyC10H6CuN4O4
Crystal systemmonoclinic
Space group H-MP 21/c
Space group Hall-P 2ybc
Data collection temperature291.0

Refinement results

R Factor (Obs)0.0248
R Factor (All)0.0279
Weighted R Factor (Obs)0.0701
Weighted R Factor (All)0.072

Available Resources

Crystal Components

Moieties

Result files

Raw CML
Complete CML
CIF (cached / original)

Validation

CheckCIF

Images

Ellipsoid

Show no. of unit cells along axis:

a:


b:


c:


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InChI:

InChI=1/2C5H4N2O2.Cu/c2*8-5(9)4-6-2-1-3-7-4;/h2*1-3H,(H,8,9);/p-2

SMILES:

[H]C=3N=C4C(=O)[O-][Cu]2([O-]C(=O)C1=NC([H])=C([H])C([H])=N12)(N4(=C([H])C=3([H])))