checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2009src0116
Bond precision: C-C = 0.0023 A Wavelength=0.71073
Cell: a=9.3511(2) b=14.5157(4) c=10.4670(2)
alpha=90 beta=90.778(2) gamma=90
Temperature: 120 K
Calculated Reported
Volume 1420.64(6) 1420.64(6)
Space group P 21/c P2(1)/c
Hall group -P 2ybc ?
Moiety formula B5 H4 O10, C7 H10 N ?
Sum formula C7 H14 B5 N O10 C7 H14 B5 N O10
Mr 326.24 326.24
Dx,g cm-3 1.525 1.525
Z 4 4
Mu (mm-1) 0.131 0.131
F000 672.0 672.0
F000' 672.47
h,k,lmax 12,18,13 12,18,13
Nref 3247 3244
Tmin,Tmax 0.979,0.982 0.979,0.982
Tmin' 0.979
Correction method= MULTI-SCAN
Data completeness= 0.999 Theta(max)= 27.480
R(reflections)= 0.0391( 2877) wR2(reflections)= 0.0922( 3244)
S = 1.074 Npar= 213

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

Alert level C PLAT480_ALERT_4_C Long H...A H-Bond Reported H1B .. O9 .. 2.64 Ang.
Alert level G PLAT066_ALERT_1_G Predicted and Reported Transmissions Identical . ?
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 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 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 09/04/2009; check.def file version of 08/04/2009
Datablock 2009src0116 - ellipsoid plot

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