HTTP/1.1 200 OK Date: Mon, 26 Sep 2005 12:37:48 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: 01src073
Bond precision: C-C = 0.0040 A Wavelength=0.71073
Cell: a=9.2498(18) b=9.7081(19) c=17.738(4)
alpha=93.62(3) beta=90.61(3) gamma=104.26(3)
Calculated Reported
Volume 1540.1(6) 1540.1(5)
Space group P -1 P-1
Hall group -P 1 ?
Moiety formula C9 H15 Cl3 N2 Si Sn ?
Sum formula C9 H15 Cl3 N2 Si Sn C9 H15 Cl3 N2 Si Sn
Mr 404.38 404.36
Dx,g cm-3 1.744 1.744
Z 4 4
Mu (mm-1) 2.235 2.235
F000 792.0 792.0
F000' 791.61
h,k,lmax 12,12,23 12,12,23
Nref 7041 6924
Tmin,Tmax 0.732,0.800 0.663,0.807
Tmin' 0.646
Correction method= 'MULTI-SCAN'
Data completeness= Ratio = 0.98 Theta(max)= 27.46
R(reflections)= 0.0307( 5961) wR2(reflections)= 0.0812( 6924)
S = 0.980 Npar= 298

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

Alert level C PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2 C9 H15 Cl3 N2 Si Sn
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 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 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

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 12/04/2005; check.def file version of 22/03/2005
Datablock 01src073 - ellipsoid plot

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