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Acta Cryst. (2012). E68, o76-o77  [ doi:10.1107/S160053681105255X ]


S. Samshuddin, R. J. Butcher, S. O. Yildirim, M. Akkurt, B. Narayana and H. S. Yathirajan

Online 10 December 2011

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level A PLAT601_ALERT_2_A Structure Contains Solvent Accessible VOIDS of . 206 A   3
Author Response: In the crystal structure, there is an 206 \%A^3^ void, but the low electron density (0.26 e.\%A^-3^) in the difference Fourier map suggests no solvent molecule occupying this void.

Alert level C PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C7 - C8 ... 1.33 Ang. PLAT417_ALERT_2_C Short Inter D-H..H-D H3C .. H3C .. 2.14 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 7 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 296
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 40 Perc. PLAT432_ALERT_2_G Short Inter X...Y Contact C6B .. C6B .. 3.01 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 10 PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
1 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: S. Samshuddin, B. Narayana and H.S. Yathirajan - did the synthesis, crystalized the title compound and prepared the chemical sections of the manuscript. R. J. Butcher and S. Ozturk Y\?ild\?ir\?im - collected the XRD data, and solved and refined the crystal structure. M. Akkurt - checked the structure, drawn the scheme and figures, and prepared the manuscript.

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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