1,3-bis(3,5-dinitrophenyl)urea with tetramethylammonium chloride

Sample Originator: Isabelle Kirbya.

Data Collection: Isabelle Kirbya

Structure Determination: Isabelle Kirbya.

University of Southamptona

C72 H86 Cl4 N30 O36

Controlled Keywords:anion binding, solvate
Date Created:June 2011
Deposited On:03 Sep 2015 13:22
Deposited By:Dr Isabelle Kirby

Data collection parameters

Chemical formulaC72 H86 Cl4 N30 O36
Crystal morphology
Crystal systemMonoclinic
Space group symbolC 2/m
Cell length a26.6631(6)
Cell length b24.0557(4)
Cell length c17.3853(4)
Cell angle alpha90.00
Cell angle beta120.9950(10)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0614
R Factor (All)0.0839
Weighted R Factor (Obs)0.1580
Weighted R Factor (All)0.1708

Citation: Kirby, Isabelle and Gale, Philip and Coles, Simon (2011) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1706/)
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