checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: s92
Bond precision: C-C = 0.0029 A Wavelength=0.71073
Cell: a=21.2704(8) b=7.5887(2) c=11.2915(3)
alpha=90 beta=102.234(1) gamma=90
Temperature: 150 K
Calculated Reported
Volume 1781.22(9) 1781.22(9)
Space group P 21/c P21/c
Hall group -P 2ybc ?
Moiety formula C18 H26 N2 O Si ?
Sum formula C18 H26 N2 O Si C18 H26 N2 O Si
Mr 314.50 314.50
Dx,g cm-3 1.173 1.173
Z 4 4
Mu (mm-1) 0.136 0.136
F000 680.0 680.0
F000' 680.54
h,k,lmax 25,9,13 25,9,13
Nref 3163 3150
Tmin,Tmax 0.968,0.989 0.964,0.987
Tmin' 0.967
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.996 Theta(max)= 25.090
R(reflections)= 0.0490( 2072) wR2(reflections)= 0.1115( 3150)
S = 0.954 Npar= 220

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

Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.91 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for Si1 -- C12 .. 5.22 su
Alert level G PLAT343_ALERT_2_G Check sp3 Angle Range in Main Residue for .. C3 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1 PLAT793_ALERT_4_G Check the Absolute Configuration of C3 ..... S PLAT793_ALERT_4_G Check the Absolute Configuration of C4 ..... S
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 2 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 29/04/2008; check.def file version of 22/04/2008
Datablock s92 - ellipsoid plot

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