Diaquabis(dicyanamido)bis[4-(2-pyridyl)-4H-1,2,4-triazole-κN1] cobalt(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/S1600536806020459
Compound Class:organometallic
Date Recorded:2006-05-23

Contact Author:
e-mail: mayuhong2010@yahoo.com.cn

Data collection parameters

Chemical formula sumC18H16CoN14O2
Chemical formula moietyC18H16CoN14O2
Crystal systemtriclinic
Space group H-MP-1
Space group Hall-P 1
Data collection temperature300.0

Refinement results

R Factor (Obs)0.0277
R Factor (All)0.031
Weighted R Factor (Obs)0.068
Weighted R Factor (All)0.0696

Available Resources

Crystal Components

Moieties

Result files

Raw CML
Complete CML
CIF (cached / original)

Validation

CheckCIF

Images

Ellipsoid

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InChI:

InChI=1/2C7H6N4.2C2N3.Co.2H2O/c2*1-2-4-8-7(3-1)11-5-9-10-6-11;2*3-1-5-2-4;;;/h2*1-6H;;;;2*1H2/q;;2*-1;;;

SMILES:

[H]C=1N=C(C([H])=C([H])C=1([H]))N2C([H])=NN(=C2([H]))[Co](N#C[N-]C#N)(N#C[N-]C#N)(N=3N=C([H])N(C=3([H]))C=4N=C([H])C([H])=C([H])C=4([H]))(O([H])[H])O([H])[H]