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 = 0.0030 A Wavelength=0.71073
Cell: a=6.2157(12) b=9.6972(19) c=11.921(2)
alpha=89.14(3) beta=79.65(3) gamma=81.51(3)
Temperature: 150 K
Calculated Reported
Volume 699.1(2) 699.0(2)
Space group P -1 P-1
Hall group -P 1 -P 1
Moiety formula C8 H22 O5 Si2 ?
Sum formula C8 H22 O5 Si2 C8 H22 O5 Si2
Mr 254.44 254.44
Dx,g cm-3 1.209 1.209
Z 2 2
Mu (mm-1) 0.254 0.254
F000 276.0 276.0
F000' 276.46
h,k,lmax 8,12,15 8,12,15
Nref 3197 3090
Tmin,Tmax 0.964,0.970 0.951,0.970
Tmin' 0.950
Correction method= EMPIRICAL
Data completeness= 0.967 Theta(max)= 27.500
R(reflections)= 0.0443( 2401) wR2(reflections)= 0.1264( 3090)
S = 1.065 Npar= 146

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

Alert level A PLAT417_ALERT_2_A Short Inter D-H..H-D H1 .. H1 .. 1.17 Ang. PLAT417_ALERT_2_A Short Inter D-H..H-D H3 .. H5 .. 1.16 Ang.
Alert level B PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem... B
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97
Alert level G PLAT396_ALERT_2_G Deviating Si-O-Si Angle from 150 Deg for O2 166.50 Deg. PLAT154_ALERT_1_G The su's on the Cell Angles are Equal (x 10000) 3000 Deg.
2 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 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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