checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2010sl0008a
Bond precision: Wavelength=
Cell: a= b= c=
alpha= beta= gamma=
Temperature: ?
Calculated Reported
Volume
Space group
Hall group
Moiety formula
Sum formula
Mr
Dx,g cm-3
Z
Mu (mm-1)
F000
F000'
h,k,lmax
Nref
Tmin,Tmax
Tmin'
Correction method= Not given
Data completeness= Theta(max)=
R(reflections)= wR2(reflections)=
S = Npar=

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. RFACR01_ALERT_3_B The value of the weighted R factor is > 0.35 Weighted R factor given 0.350
Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.12 Rint given 0.138 STRVA01_ALERT_2_C Chirality of atom sites is inverted? From the CIF: _refine_ls_abs_structure_Flack 1.000 From the CIF: _refine_ls_abs_structure_Flack_su 2.000
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 F3 N1 Atom count from the _atom_site data: C13 H8 F3 N1
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 2 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 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 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


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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