checkCIF/PLATON report (basic structural check)

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

Datablock: 2008sjc0013

Bond precision: C-C = 0.0050 A Wavelength=0.71073

`Cell:`	`a=10.9590(1)`	`b=11.4830(2)`	`c=14.0360(2)`
	`alpha=96.445(1)`	`beta=111.731(1)`	`gamma=97.318(1)`
`Temperature:`	`120 K`

	`Calculated`	`Reported`
`Volume`	`1602.89(4)`	`1602.88(4)`
`Space group`	`P -1`	`P-1`
`Hall group`	`-P 1`	`?`
`Moiety formula`	`C10 H12 Ag N6, C F3 O3 S`	`?`
`Sum formula`	`C11 H12 Ag F3 N6 O3 S`	`C11 H12 Ag F3 N6 O3 S`
`Mr`	`473.21`	`473.20`
`Dx,g cm-3`	`1.961`	`1.961`
`Z`	`4`	`4`
`Mu (mm-1)`	`1.446`	`1.446`
`F000`	`936.0`	`936.0`
`F000'`	`933.36`
`h,k,lmax`	`14,14,18`	`14,14,18`
`Nref`	`7361`	`7338`
`Tmin,Tmax`	`0.865,0.891`	`0.862,0.891`
`Tmin'`	`0.865`

Correction method= AbsCorr=MULTI-SCAN

Data completeness= Ratio = 0.997 Theta(max)= 27.500

R(reflections)= 0.0352( 6364) wR2(reflections)= 0.0878( 7338)

S = 1.060 Npar= 451

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 A
PLAT307_ALERT_2_A Isolated Metal Atom (Unusual !) ................      Ag2_a     
PLAT780_ALERT_1_A Coordinates do not Form a Properly Connected Set          ?
Alert level C
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.05      
PLAT432_ALERT_2_C Short Inter X...Y Contact  O6     ..  C6      ..       2.95 Ang. 
PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) .....         10 Ang. 
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)        100 Deg. 
PLAT180_ALERT_4_C Check Cell Rounding: # of Values Ending with 0 =          6      
PLAT231_ALERT_4_C Hirshfeld Test (Solvent)   S1     --  C21     ..       7.09 su   
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         S2     
   2 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   4 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 2008sjc0013 - ellipsoid plot

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