HTTP/1.1 200 OK Date: Wed, 28 Mar 2007 14:42:16 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: 2006src0966p-1

Bond precision: C-C = 0.0031 A Wavelength=0.71073

`Cell:`	`a=9.4791(2)`	`b=10.2283(2)`	`c=11.4144(3)`
	`alpha=88.423(2)`	`beta=78.172(2)`	`gamma=79.694(2)`

	`Calculated`	`Reported`
`Volume`	`1065.66(4)`	`1065.66(4)`
`Space group`	`P -1`	`P-1`
`Hall group`	`-P 1`	`?`
`Moiety formula`	`C16 H25 Cl3 N5 P3`	`?`
`Sum formula`	`C16 H25 Cl3 N5 P3`	`C16 H25 Cl3 N5 P3`
`Mr`	`486.67`	`486.67`
`Dx,g cm-3`	`1.517`	`1.517`
`Z`	`2`	`2`
`Mu (mm-1)`	`0.668`	`0.668`
`F000`	`504.0`	`504.0`
`F000'`	`505.59`
`h,k,lmax`	`11,12,14`	`11,12,14`
`Nref`	`4218`	`4189`
`Tmin,Tmax`	`0.845,0.911`	`0.835,0.912`
`Tmin'`	`0.829`

Correction method= 'MULTI-SCAN'

Data completeness= Ratio = 0.993 Theta(max)= 26.040

R(reflections)= 0.0316( 3748) wR2(reflections)= 0.0818( 4189)

S = 1.050 Npar= 244

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
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000)         200 Deg. 
   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

   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
   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 2006src0966p-1 - ellipsoid plot

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