checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 04src0845
Bond precision: C-C = 0.0036 A Wavelength=0.71073
Cell: a=6.7406(14) b=11.7940(19) c=11.945(3)
alpha=87.687(17) beta=86.67(2) gamma=81.403(18)
Temperature: 120 K
Calculated Reported
Volume 936.9(3) 936.9(3)
Space group P -1 P-1
Hall group -P 1 -P 1
Moiety formula C20 H20 Br N O2 Si C20 H20 Br N O2 Si
Sum formula C20 H20 Br N O2 Si C20 H20 Br N O2 Si
Mr 414.36 414.37
Dx,g cm-3 1.469 1.469
Z 2 2
Mu (mm-1) 2.271 2.271
F000 424.0 424.0
F000' 423.74
h,k,lmax 8,15,15 8,15,15
Nref 4307 4306
Tmin,Tmax 0.849,0.956 0.660,0.956
Tmin' 0.635
Correction method= MULTI-SCAN
Data completeness= 1.000 Theta(max)= 27.480
R(reflections)= 0.0402( 3511) wR2(reflections)= 0.0774( 4306)
S = 1.054 Npar= 231

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

Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si1 PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1A ... ?
Alert level G PLAT793_ALERT_4_G The Model has Chirality at C13 (Verify) .... R
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 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 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 13/08/2009; check.def file version of 12/08/2009
Datablock 04src0845 - ellipsoid plot

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