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1,3-Bis(3-nitrophenyl)thiourea tetraethylammonium

Sample Originator: Isabelle Kirbya.

Data Collection: Isabelle Kirbya

Structure Determination: Isabelle Kirbya.

University of Southamptona

C21 H29 N5 O4 S1

Controlled Keywords:deprotonated anion receptor
Date Created:30 January 2012
Deposited On:03 Sep 2015 13:21
Deposited By:Dr Isabelle Kirby

Data collection parameters

Chemical formulaC21 H29 N5 O4 S1
Crystal morphology
Crystal systemmonoclinic
Space group symbolP21/c
Cell length a8.548(6)
Cell length b20.740(14)
Cell length c12.667(10)
Cell angle alpha90.00
Cell angle beta101.513(15)
Cell angle gamma90.00
Data collection temperature100(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0554
R Factor (All)0.0806
Weighted R Factor (Obs)0.1123
Weighted R Factor (All)0.1270

Citation: Kirby, Isabelle and Coles, Simon and Gale, Philip (2012) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1702/)
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Available Files

Final Result

2012ilk0002.cif19k
2012ilk0002.cml9k

Validation

2012ilk0002checkcif.htm1k

Refinement

shelx.res9k

Processing

shelx.hkl917k

Other Files

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