No syntax errors found. CIF dictionaryDatablock: 2008lsh092
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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 REFLT01_ALERT_1_B The number of symmetry-independent reflections cannot exceed the total number of reflections measured Number of symmetry-independent reflections = 5990 Total number of reflections = 5984 RFACG01_ALERT_3_B The value of the R factor is > 0.15 R factor given 0.157 RFACR01_ALERT_3_B The value of the weighted R factor is > 0.35 Weighted R factor given 0.380
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 0 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 0 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 journalsPlease refer to the Notes for Authors of the relevant journal for any special instructions relating to CIF submission. |