[N,N'-Bis(trans-2-nitroprop-2-enylidene)ethylenediimine- κ2N,N']dibromonickel(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/S1600536806019775
Compound Class:organometallic
Date Recorded:2006-05-12

Contact Author: Dr Saeed Dehghanpour
e-mail: dehganpour_farasha@yahoo.com

Data collection parameters

Chemical formula sumC20H18Br2N4NiO4
Chemical formula moietyC20H18Br2N4NiO4
Crystal systemmonoclinic
Space group H-MP 21/n
Space group Hall-P 2yn
Data collection temperature293.0

Refinement results

R Factor (Obs)0.039
R Factor (All)0.096
Weighted R Factor (Obs)0.087
Weighted R Factor (All)0.107

Available Resources

Crystal Components

Moieties

Result files

Raw CML
Complete CML
CIF (cached / original)

Validation

CheckCIF

Images

Ellipsoid

The structure displayed is the major occupied structure from the crystal.

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InChI:

InChI=1/C20H18N4O4.2BrH.Ni/c25-23(26)19-11-3-1-7-17(19)9-5-13-21-15-16-22-14-6-10-18-8-2-4-12-20(18)24(27)28;;;/h1-14H,15-16H2;2*1H;/p-2/b9-5+,10-6+,21-13+,22-14+;;;

SMILES:

[H]C1=C([H])C([H])=C(C(=C1([H]))C([H])=C([H])C([H])=N3C([H])([H])C([H])([H])N(=C([H])C([H])=C([H])C=2C([H])=C([H])C([H])=C([H])C=2[N+](=O)[O-])[Ni]3([Br-])[Br-])[N+](=O)[O-]