HTTP/1.1 200 OK Date: Fri, 10 Aug 2007 13:25:58 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: 2007src1070
Bond precision: C-C = 0.0020 A Wavelength=0.71073
Cell: a=8.2907(1) b=8.9556(1) c=15.0072(1)
alpha=95.402(1) beta=95.110(1) gamma=101.334(1)
Calculated Reported
Volume 1081.05(2) 1081.05(2)
Space group P -1 P-1
Hall group -P 1 ?
Moiety formula C3 H6 Cl9 N7 O P6 ?
Sum formula C3 H6 Cl9 N7 O P6 C3 H6 Cl9 N7 O P6
Mr 661.02 661.02
Dx,g cm-3 2.031 2.031
Z 2 2
Mu (mm-1) 1.622 1.622
F000 648.0 648.0
F000' 651.96
h,k,lmax 10,11,19 10,11,19
Nref 4988 4968
Tmin,Tmax 0.850,0.850 0.855,0.855
Tmin' 0.850
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.996 Theta(max)= 27.500
R(reflections)= 0.0206( 4783) wR2(reflections)= 0.0747( 4968)
S = 1.235 Npar= 235

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

Alert level C PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) ..... 10 Ang. PLAT153_ALERT_1_C The su's on the Cell Axes are Equal (x 100000) 10 Ang. PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 100 Deg. PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 = 6
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 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 1 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 23/04/2007; check.def file version of 23/04/2007
Datablock 2007src1070 - ellipsoid plot

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