checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 05src0194
Bond precision: C-C = 0.0021 A Wavelength=0.71073
Cell: a=8.0151(8) b=15.5644(14) c=16.6592(10)
alpha=90 beta=102.337(5) gamma=90
Temperature: 120 K
Calculated Reported
Volume 2030.3(3) 2030.2(3)
Space group P 21/c P2(1)/c
Hall group -P 2ybc -P 2ybc
Moiety formula C22 H8 F10 N2 Zn C22 H8 F10 N2 Zn
Sum formula C22 H8 F10 N2 Zn C22 H8 F10 N2 Zn
Mr 555.69 555.67
Dx,g cm-3 1.818 1.818
Z 4 4
Mu (mm-1) 1.315 1.315
F000 1096.0 1096.0
F000' 1097.98
h,k,lmax 10,20,21 10,20,21
Nref 4662 4632
Tmin,Tmax 0.776,0.769 0.779,0.779
Tmin' 0.761
Correction method= MULTI-SCAN
Data completeness= 0.994 Theta(max)= 27.500
R(reflections)= 0.0266( 4296) wR2(reflections)= 0.0704( 4632)
S = 1.023 Npar= 317

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 F3 .. C18 .. 2.90 Ang.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 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 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 13/08/2009; check.def file version of 12/08/2009
Datablock 05src0194 - ellipsoid plot

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