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 = 0.0045 A Wavelength=0.71073
Cell: a=5.1449(1) b=10.2655(3) c=11.7941(3)
alpha=104.762(1) beta=98.952(1) gamma=101.329(2)
Temperature: 120 K
Calculated Reported
Volume 576.55(3) 576.55(2)
Space group P -1 P-1
Hall group -P 1 -P 1
Moiety formula C10 H20 O2 Si ?
Sum formula C10 H20 O2 Si C10 H20 O2 Si
Mr 200.35 200.35
Dx,g cm-3 1.154 1.154
Z 2 2
Mu (mm-1) 0.174 0.174
F000 220.0 220.0
F000' 220.25
h,k,lmax 6,13,15 6,13,15
Nref 2658 2617
Tmin,Tmax 0.949,0.966 0.918,0.966
Tmin' 0.917
Correction method= MULTI-SCAN
Data completeness= 0.985 Theta(max)= 27.500
R(reflections)= 0.0532( 2221) wR2(reflections)= 0.1600( 2617)
S = 1.043 Npar= 121

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

Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C6 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 5 PLAT031_ALERT_4_C Refined Extinction Parameter within Range ...... 2.67 Sigma
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 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 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 13/08/2009; check.def file version of 12/08/2009
Datablock s92 - ellipsoid plot

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