checkCIF/PLATON report (publication check)

No syntax errors found.                               CIF dictionary
Please wait while processing ....                     Interpreting this report

Datablock: jdpiii_20

Bond precision: C-C = 0.0071 A Wavelength=0.71073

`Cell:`	`a=21.9819(4)`	`b=16.4596(3)`	`c=8.5220(2)`
	`alpha=90`	`beta=90`	`gamma=90`
`Temperature:`	`100 K`

	`Calculated`	`Reported`
`Volume`	`3083.37(11)`	`3083.37(11)`
`Space group`	`P n m a`	`P n m a`
`Hall group`	`-P 2ac 2n`	`-P 2ac 2n`
`Moiety formula`	`C24 H32 N8 O6 Pt2, 2(H2 O)`	`C24 H32 N8 O6 Pt2, 2(H2 O)`
`Sum formula`	`C24 H36 N8 O8 Pt2`	`C24 H36 N8 O8 Pt2`
`Mr`	`954.77`	`954.79`
`Dx,g cm-3`	`2.057`	`2.057`
`Z`	`4`	`4`
`Mu (mm-1)`	`9.122`	`9.122`
`F000`	`1824.0`	`1824.0`
`F000'`	`1811.85`
`h,k,lmax`	`29,21,11`	`29,21,11`
`Nref`	`3967`	`3961`
`Tmin,Tmax`	`0.253,0.833`	`0.323,0.839`
`Tmin'`	`0.213`

Correction method= MULTI-SCAN

Data completeness= 0.998 Theta(max)= 28.290

R(reflections)= 0.0286( 3436) wR2(reflections)= 0.0800( 3961)

S = 1.000 Npar= 200

The following ALERTS were generated. Each ALERT has the format
       test-name_ALERT_alert-type_alert-level.
Click on the hyperlinks for more details of the test.
Alert level C
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      37.00 A**3 
Alert level G
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.      40.00      
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety         C8     
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) .       1.13 Ratio
   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Publication of your CIF

You should always attempt to resolve as many as possible of the alerts in all categories. Often the minor alerts point to easily fixed oversights, errors and omissions in your CIF or refinement strategy, so attention to these fine details can be worthwhile. In order to resolve some of the more serious problems it may be necessary to carry out additional measurements or structure refinements. However, the nature of your study may justify the reported deviations from the submission requirements of the journal and these should be commented upon in the discussion or experimental section of a paper - after all, they might represent an interesting feature.

If you wish to submit your CIF for publication in Acta Crystallographica Section C or E, you should upload your CIF via the web. If your CIF is to form part of a submission to another IUCr journal, you will be asked, either during electronic submission or by the Co-editor handling your paper, to upload your CIF via our web site.

PLATON version of 31/03/2010; check.def file version of 22/03/2010

Datablock jdpiii_20 - ellipsoid plot

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