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C~23~H~18~I~2~NO~3~PW

Sample Originator: Paul K. Bakera.

Data Collection: Michael B. Hursthouseb

Structure Determination: Michael B. Hursthouseb.

University of Wales, Bangora
University of Southamptonb

C23H18I2NO3PW

InChI=1/C18H15P.C2H6N.3CH3O.2HI.W/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3;3*1-2;;;/h1-15H;3H,2H2,1H3;3*2H,1H2;2*1H;/q;-1;;;;;;+1

Identification Number:10.5258/ecrystals/1190
Controlled Keywords:tungsten compounds
Date Created:30 August 1993
Deposited On:16 Feb 2010 13:38
Deposited By:Mr Steve Lamond

Depositor Comments

The electronic files for this structure were recovered from floppy diskette and unfortunately no metadata is available.

Data collection parameters

Chemical formulaC23 H18 I2 N O3 P W
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/n
Cell length a11.456(7)
Cell length b10.938(2)
Cell length c20.2783(16)
Cell angle alpha90.00
Cell angle beta104.50(2)
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0404
R Factor (All)0.0449
Weighted R Factor (Obs)0.1064
Weighted R Factor (All)0.1114

Citation: Baker, Paul K. and Hursthouse, Michael B. (1993) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1190)
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Available Files

Final Result

93SRC125.cif15k
93SRC125.cml7k
93SRC125.fcf185k

Validation

93SRC125_checkcif.htm11k

Refinement

93SRC125.res8k

Processing

93SRC125.HKL242k

Other Files

93SRC125.inchi2k
93SRC125.ins6k
93SRC125.mol4k
93SRC125_ellipsoid.gif23k

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