HTTP/1.1 200 OK Date: Thu, 29 Sep 2005 11:22:03 GMT Server: Apache/1.3.33 (Unix) mod_perl/1.29 Connection: close Content-Type: text/html; charset=ISO-8859-1 checkCIF/PLATON report (basic structural check)

checkCIF/PLATON report (basic structural check)

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

Datablock: 01src394

Bond precision: C-C = 0.0034 A Wavelength=0.71073

`Cell:`	`a=23.8267(4)`	`b=12.9976(3)`	`c=22.1794(5)`
	`alpha=90`	`beta=108.1550(12)`	`gamma=90`

	`Calculated`	`Reported`
`Volume`	`6526.8(2)`	`6526.8(2)`
`Space group`	`C 2/c`	`C2/c`
`Hall group`	`-C 2yc`	`?`
`Moiety formula`	`C48 H40 O12 Si8, C16 H36 N, F`	`?`
`Sum formula`	`C64 H76 F N O12 Si8`	`C64 H76 F N O12 Si8`
`Mr`	`1294.98`	`1294.98`
`Dx,g cm-3`	`1.318`	`1.318`
`Z`	`4`	`4`
`Mu (mm-1)`	`0.228`	`0.228`
`F000`	`2736.0`	`2736.0`
`F000'`	`2739.71`
`h,k,lmax`	`28,15,26`	`28,15,26`
`Nref`	`5774`	`5719`
`Tmin,Tmax`	`0.947,0.977`	`0.935,0.978`
`Tmin'`	`0.934`

Correction method= 'MULTI-SCAN'

Data completeness= Ratio = 0.99 Theta(max)= 25.03

R(reflections)= 0.0397( 4545) wR2(reflections)= 0.1134( 5719)

S = 1.032 Npar= 389

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
PLAT432_ALERT_2_A Short Inter X...Y Contact  Si1    ..  F1      ..       2.66 Ang.  
PLAT432_ALERT_2_A Short Inter X...Y Contact  Si2    ..  F1      ..       2.65 Ang.  
PLAT432_ALERT_2_A Short Inter X...Y Contact  Si3    ..  F1      ..       2.65 Ang.  
PLAT432_ALERT_2_A Short Inter X...Y Contact  Si4    ..  F1      ..       2.65 Ang.  
Alert level B
PLAT431_ALERT_2_B Short Inter HL..A Contact  F1     ..  O6      ..       2.66 Ang.  
PLAT431_ALERT_2_B Short Inter HL..A Contact  F1     ..  O6      ..       2.66 Ang.  
PLAT431_ALERT_2_B Short Inter HL..A Contact  F1     ..  O2      ..       2.67 Ang.  
PLAT431_ALERT_2_B Short Inter HL..A Contact  F1     ..  O2      ..       2.67 Ang.  
Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT431_ALERT_2_C Short Inter HL..A Contact  F1     ..  O4      ..       2.71 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  F1     ..  O4      ..       2.71 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  F1     ..  O1      ..       2.71 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  F1     ..  O1      ..       2.71 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  F1     ..  O3      ..       2.74 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  F1     ..  O3      ..       2.74 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  F1     ..  O5      ..       2.75 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  F1     ..  O5      ..       2.75 Ang.  
   4 ALERT level A = In general: serious problem
   4 ALERT level B = Potentially serious problem
   9 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  16 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

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 12/04/2005; check.def file version of 22/03/2005

Datablock 01src394 - ellipsoid plot

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