checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing ....                     Interpreting this report





Datablock: 2009src0244p21c


Bond precision:
   C-C = 0.0035 A
Wavelength=0.71073



Cell:
a=8.8936(2)
b=22.0632(6)
c=7.8946(2)



alpha=90
beta=106.318(1)
gamma=90


Temperature: 
120 K






Calculated
Reported


Volume
1486.69(7)
1486.69(6)


Space group
P 21/c     
P21/c      


Hall group
-P 2ybc    
 ?         

Moiety formula
C13 H15 N2 O2 Si, H2 O, Cl

?


Sum formula
C13 H17 Cl N2 O3 Si

C13 H17 Cl N2 O3 Si



Mr
312.83
312.83



Dx,g cm-3
1.398
1.398



Z
4
4



Mu (mm-1)
0.346
0.346



F000
656.0
656.0


F000'
657.17




h,k,lmax
11,28,10
11,28,10


Nref
3411        
3407        


Tmin,Tmax
0.947,0.976
0.909,0.976


Tmin'
0.908




Correction method= MULTI-SCAN




Data completeness= 0.999
Theta(max)= 27.470



R(reflections)= 0.0482(  2948)
wR2(reflections)= 0.1041(  3407)


S = 1.053
Npar= 190


The following ALERTS were generated. Each ALERT has the format
       test-name_ALERT_alert-type_alert-level.
Click on the hyperlinks for more details of the test.
Alert level C
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          3      
PLAT066_ALERT_1_G Predicted and Reported Transmissions Identical .          ?
   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check


Publication of your CIF in IUCr journals


A basic structural check has been run on your CIF.
These basic checks will be run on all CIFs submitted for publication in
IUCr journals (Acta Crystallographica, Journal of Applied Crystallography,
Journal of Synchrotron Radiation); however, if you intend to submit to Acta
Crystallographica Section C or E, you should make sure that
full publication
checks are run on the final version of your CIF prior to submission.

Publication of your CIF in other journals
Please refer to the Notes for Authors of the relevant journal for any special instructions relating to CIF submission.


PLATON version of 25/02/2009; check.def file version of 25/02/2009

Datablock 2009src0244p21c - ellipsoid plot





 Download CIF editor (publCIF) from the IUCr 

 Download CIF editor (enCIFer) from the CCDC 

 Test a new CIF entry