HTTP/1.1 200 OK Date: Fri, 29 Jun 2007 16:10:51 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: 2007src0237r
Bond precision: C-C = 0.0019 A Wavelength=0.71073
Cell: a=10.7229(1) b=10.2395(1) c=20.1530(2)
alpha=90 beta=92.7121(7) gamma=90
Calculated Reported
Volume 2210.26(4) 2210.26(4)
Space group P 21/c P 2(1)/c
Hall group -P 2ybc ?
Moiety formula C21 H28 N2 O2 Si2 ?
Sum formula C21 H28 N2 O2 Si2 C21 H28 N2 O2 Si2
Mr 396.63 396.63
Dx,g cm-3 1.192 1.192
Z 4 4
Mu (mm-1) 0.178 0.178
F000 848.0 848.0
F000' 848.92
h,k,lmax 13,13,26 13,13,26
Nref 5062 5047
Tmin,Tmax 0.979,0.989 0.972,0.989
Tmin' 0.972
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.997 Theta(max)= 27.480
R(reflections)= 0.0338( 4629) wR2(reflections)= 0.0874( 5047)
S = 1.063 Npar= 250

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

Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) ..... 10 Ang. PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) ..... 10 Ang. PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) ..... 20 Ang. PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 = 3 PLAT230_ALERT_2_C Hirshfeld Test Diff for O1 - C1 .. 5.12 su
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 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 1 ALERT type 3 Indicator that the structure quality may be low 3 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 23/04/2007; check.def file version of 23/04/2007
Datablock 2007src0237r - ellipsoid plot

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