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 = 0.0072 A Wavelength=0.71073
Cell: a=8.8240(5) b=8.8434(5) c=9.1388(6)
alpha=94.442(2) beta=100.154(3) gamma=94.770(3)
Temperature: 120 K
Calculated Reported
Volume 696.45(7) 696.45(7)
Space group P -1 P-1
Hall group -P 1 -P 1
Moiety formula C16 H24 O12 Si8 ?
Sum formula C16 H24 O12 Si8 C16 H24 O12 Si8
Mr 633.07 633.07
Dx,g cm-3 1.509 1.509
Z 1 1
Mu (mm-1) 0.441 0.441
F000 328.0 328.0
F000' 328.79
h,k,lmax 10,10,10 10,10,10
Nref 2468 2377
Tmin,Tmax 0.983,0.983 0.983,0.983
Tmin' 0.983
Correction method= EMPIRICAL
Data completeness= 0.963 Theta(max)= 25.000
R(reflections)= 0.0568( 1403) wR2(reflections)= 0.1170( 2377)
S = 0.914 Npar= 175

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

Alert level B PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.71 Ratio
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.96 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 7
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 2 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 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 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 13/08/2009; check.def file version of 12/08/2009
Datablock s92 - ellipsoid plot

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