checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2007src0217
Bond precision: C-C = 0.0020 A Wavelength=0.71073
Cell: a=8.7992(3) b=9.0108(2) c=9.3873(3)
alpha=73.957(2) beta=78.099(2) gamma=63.845(2)
Temperature: 120 K
Calculated Reported
Volume 638.99(4) 638.99(3)
Space group P -1 P-1
Hall group -P 1 ?
Moiety formula B5 H4 O10, C4 H10 N O ?
Sum formula C4 H14 B5 N O11 C4 H14 B5 N O11
Mr 306.21 306.21
Dx,g cm-3 1.592 1.592
Z 2 2
Mu (mm-1) 0.146 0.146
F000 316.0 316.0
F000' 316.24
h,k,lmax 11,11,12 11,11,12
Nref 2933 2921
Tmin,Tmax 0.971,0.994 0.969,0.994
Tmin' 0.968
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.996 Theta(max)= 27.480
R(reflections)= 0.0385( 2573) wR2(reflections)= 0.0865( 2921)
S = 1.066 Npar= 194

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

Alert level C PLAT432_ALERT_2_C Short Inter X...Y Contact O11 .. B4 .. 2.85 Ang. PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 200 Deg.
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 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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 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 29/04/2008; check.def file version of 22/04/2008
Datablock 2007src0217 - ellipsoid plot

Download CIF editor (enCIFer) from the CCDC
Test a new CIF entry