[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3216-o3217
[ doi:10.1107/S160053681204370X ]


S. Samshuddin, B. Narayana, H. S. Yathirajan, T. Gerber, E. Hosten and R. Betz

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT480_ALERT_4_C Long H...A H-Bond Reported H26 .. F1 .. 2.56 Ang.
Author Response: contact is discussed in manuscript
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.035      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         16      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1      

Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.13
Author Response: no missed twinning but the quality of the crystals was troublesome - despite many attempts and efforts in recrystallization
PLAT793_ALERT_4_G The Model has Chirality at C3      (Verify) ....          S      
Author Response: chirality in agreement with the one found in the ORTEP plot
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         25      

0 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 4 ALERT level G = General information/check it is not something unexpected 0 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 4 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 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, Hemmige Yathirajan & Badiadka Narayana - synthesis, research and project settled around compound; Eric Hosten - mounting and selecting of crystals which was very time-consuming due to quality of sample; Thomas Gerber - initiator of this cooperation and supervisor of Xray facility; Richard Betz - structure solution and refinement as well as write up of this 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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