checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: s93
Bond precision: C-C = 0.0057 A Wavelength=0.71073
Cell: a=25.787(4) b=12.6876(15) c=15.5818(17)
alpha=90 beta=106.758(12) gamma=90
Temperature: 120 K
Calculated Reported
Volume 4881.5(11) 4881.5(11)
Space group C 2/c C2/c
Hall group -C 2yc -C 2yc
Moiety formula 2(C25 H25 Cl N2 O4 Zr), C H2 Cl2 C25 H25 CL N2 O4 ZR, 0.5(C H2 CL2)
Sum formula C51 H52 Cl4 N4 O8 Zr2 C25.50 H26 CL2 N2 O4 ZR
Mr 1173.21 586.60
Dx,g cm-3 1.596 1.596
Z 4 8
Mu (mm-1) 0.705 0.705
F000 2392.0 2392.0
F000' 2371.23
h,k,lmax 33,16,20 33,16,20
Nref 5601 5546
Tmin,Tmax 0.809,0.986 0.816,0.986
Tmin' 0.809
Correction method= MULTI-SCAN
Data completeness= 0.990 Theta(max)= 27.480
R(reflections)= 0.0540( 3385) wR2(reflections)= 0.1189( 5546)
S = 0.992 Npar= 314

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

Alert level C PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 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 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 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 s93 - ellipsoid plot

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