checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2009src0138
Bond precision: C-C = 0.0030 A Wavelength=0.71073
Cell: a=11.8719(3) b=15.0801(3) c=15.5429(3)
alpha=90 beta=90 gamma=90
Temperature: 120 K
Calculated Reported
Volume 2782.64(10) 2782.64(10)
Space group P b c a Pbca
Hall group -P 2ac 2ab ?
Moiety formula C13 H15 Cl N2 O2 Si ?
Sum formula C13 H15 Cl N2 O2 Si C13 H15 Cl N2 O2 Si
Mr 294.81 294.81
Dx,g cm-3 1.407 1.407
Z 8 8
Mu (mm-1) 0.360 0.360
F000 1232.0 1232.0
F000' 1234.25
h,k,lmax 15,19,20 15,19,20
Nref 3190 3187
Tmin,Tmax 0.905,0.951 0.887,0.951
Tmin' 0.885
Correction method= MULTI-SCAN
Data completeness= 0.999 Theta(max)= 27.480
R(reflections)= 0.0414( 2496) wR2(reflections)= 0.1105( 3187)
S = 1.052 Npar= 174

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

Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for Si14 -- C16 .. 5.07 su PLAT153_ALERT_1_C The su's on the Cell Axes are Equal (x 100000) 30 Ang.
Alert level G PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) .... S
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 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 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 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 12/11/2008; check.def file version of 12/11/2008
Datablock 2009src0138 - ellipsoid plot

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