checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
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Datablock: 2009src1292


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



Cell:
a=9.0460(3)
b=9.0502(3)
c=9.8341(3)



alpha=108.166(2)
beta=110.482(2)
gamma=91.492(2)


Temperature: 
120 K






Calculated
Reported


Volume
708.31(4)

708.30(4)


Space group
P -1       
P-1        


Hall group
-P 1       
-P 1       

Moiety formula
C4 H8 La2 O13 P2, H2 O

C4 H8 La2 O13 P2, H2 O


Sum formula
C4 H10 La2 O14 P2

C4 H10 La2 O14 P2



Mr
621.88
621.88



Dx,g cm-3
2.916
2.916



Z
2
2



Mu (mm-1)
6.248
6.248



F000
580.0
580.0


F000'
579.58




h,k,lmax
11,11,12
11,11,12


Nref
3245        
3241        


Tmin,Tmax
0.613,0.883
0.635,0.885


Tmin'
0.601




Correction method= MULTI-SCAN




Data completeness= 0.999
Theta(max)= 27.480



R(reflections)= 0.0256(  2986)
wR2(reflections)= 0.0638(  3241)


S = 1.062
Npar= 227


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
PLAT222_ALERT_3_A Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       5.10 Ratio
Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D       H11B   ..  H13B    ..       2.03 Ang. 
Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  La2    --  O7_d    ..       5.10 su   
PLAT417_ALERT_2_C Short Inter D-H..H-D       H12A   ..  H13A    ..       2.13 Ang. 
PLAT153_ALERT_1_C The su's on the Cell Axes   are Equal (x 100000)         30 Ang. 
Alert level G
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        200 Deg. 
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) .       1.47 Ratio
   1 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   2 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 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 2009src1292 - ellipsoid plot





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