checkCIF/PLATON report (basic structural check)
No syntax errors found. CIF dictionary
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Datablock: 2010sl0003a
| Bond precision: |
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Wavelength= |
| Cell: |
a= |
b= |
c= |
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alpha= |
beta= |
gamma= |
| Temperature: |
? |
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Calculated |
Reported |
| Volume |
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| Space group |
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| Hall group |
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| Moiety formula |
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| Sum formula |
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| Mr |
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| Dx,g cm-3 |
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| Z |
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| Mu (mm-1) |
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| F000 |
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| F000' |
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| h,k,lmax |
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| Nref |
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| Tmin,Tmax |
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| Tmin' |
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| Correction method= Not given |
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| Data completeness= |
Theta(max)= |
| R(reflections)= |
wR2(reflections)= |
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 B
CHEMS01_ALERT_1_B The sum formula contains elements in the wrong order.
H precedes F
Sequence must be alphabetical for inorganic structures.
Alert level G
FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the
_chemical_formula_sum and the formula from the _atom_site* data.
Atom count from _chemical_formula_sum:C13 F4 N1
Atom count from the _atom_site data: C13 H7 F4 N1
0 ALERT level A = In general: serious problem
1 ALERT level B = Potentially serious problem
0 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
1 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
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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.
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