HTTP/1.1 200 OK Date: Tue, 27 Feb 2007 15:24:16 GMT Server: Apache/1.3.33 (Unix) mod_perl/1.29 Connection: close Content-Type: text/html; charset=ISO-8859-1 checkCIF/PLATON report (basic structural check)

checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2007sot0277
Bond precision: C-C = 0.0030 A Wavelength=0.71073
Cell: a=11.0540(3) b=11.9883(4) c=11.2576(4)
alpha=90 beta=96.475(2) gamma=90
Calculated Reported
Volume 1482.33(8) 1482.33(8)
Space group C 2/c C2/c
Hall group -C 2yc ?
Moiety formula 2(C5 H9 N2), F6 Si 2(C5 H9 N2), F6 Si
Sum formula C10 H18 F6 N4 Si C10 H18 F6 N4 Si
Mr 336.37 336.37
Dx,g cm-3 1.507 1.507
Z 4 4
Mu (mm-1) 0.222 0.222
F000 696.0 696.0
F000' 696.82
h,k,lmax 14,15,14 14,15,14
Nref 1710 1703
Tmin,Tmax 0.957,0.978 0.947,0.978
Tmin' 0.957
Correction method= 'MULTI-SCAN'
Data completeness= Ratio = 0.996 Theta(max)= 27.480
R(reflections)= 0.0435( 1485) wR2(reflections)= 0.1000( 1703)
S = 1.051 Npar= 133

The following ALERTS were generated. Each ALERT has the format
Click on the hyperlinks for more details of the test.

Alert level C PLAT432_ALERT_2_C Short Inter X...Y Contact F1 .. C4 .. 2.94 Ang.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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 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 14/11/2006; check.def file version of 13/11/2006
Datablock 2007sot0277 - ellipsoid plot

Download CIF editor (enCIFer) from the CCDC
Test a new CIF entry