checkCIF/PLATON report (basic structural check)

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





Datablock: 2009src0116


Bond precision:
   C-C = 0.0023 A
Wavelength=0.71073



Cell:
a=9.3511(2)
b=14.5157(4)
c=10.4670(2)



alpha=90
beta=90.778(2)
gamma=90


Temperature: 
120 K






Calculated
Reported


Volume
1420.64(6)
1420.64(6)


Space group
P 21/c     
P2(1)/c    


Hall group
-P 2ybc    
 ?         

Moiety formula
B5 H4 O10, C7 H10 N

?


Sum formula
C7 H14 B5 N O10

C7 H14 B5 N O10



Mr
326.24
326.24



Dx,g cm-3
1.525
1.525



Z
4
4



Mu (mm-1)
0.131
0.131



F000
672.0
672.0


F000'
672.47




h,k,lmax
12,18,13
12,18,13


Nref
3247        
3244        


Tmin,Tmax
0.979,0.982
0.979,0.982


Tmin'
0.979




Correction method= MULTI-SCAN




Data completeness= 0.999
Theta(max)= 27.480



R(reflections)= 0.0391(  2877)
wR2(reflections)= 0.0922(  3244)


S = 1.074
Npar= 213


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
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1B    ..  O9      ..       2.64 Ang. 
Alert level G
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
   1 ALERT level G = General alerts; check

   1 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
   0 ALERT type 3 Indicator that the structure quality may be low
   1 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  09/04/2009; check.def file version of 08/04/2009

Datablock 2009src0116 - ellipsoid plot





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