(Malonato-κ2O,O')(1,10-phenanthroline-κ2N,N') palladium(II)

This material is Open Knowlege

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Publisher: Acta Crystallographica
Journal: Section E
Year/Issue: 2006/07-00

Article (via DOI): 10.1107/S1600536806020113
Compound Class:organometallic
Date Recorded:2006-05-19

Contact Author: Nobuo Okabe
e-mail: okabe@phar.kindai.ac.jp

Data collection parameters

Chemical formula sumC15H10N2O4Pd
Chemical formula moietyC15H10N2O4Pd
Crystal systemmonoclinic
Space group H-MP 21/n
Space group Hall-P 2yn
Data collection temperature296.0

Refinement results

R Factor (Obs)0.026
R Factor (All)
Weighted R Factor (Obs)
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:

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b:


c:


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InChI:

InChI=1/C12H8N2.C3H4O4.Pd/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4-2(5)1-3(6)7;/h1-8H;1H2,(H,4,5)(H,6,7);/p-2

SMILES:

[H]C3=C([H])C=2C([H])=C([H])C1=C([H])C([H])=C([H])N5=C1C=2N(=C3([H]))[Pd]45([O-]C(=O)C([H])([H])C(=O)[O-]4)