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Acta Cryst. (2013). E69, m144
[ doi:10.1107/S1600536813003395 ]

(E)-1-Ferrocenyl-3-[2-(2-hydroxyethoxy)phenyl]prop-2-en-1-one

S. Paramasivam, S. Purushothaman, P. R. Seshadri and R. Raghunathan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C17 -- C18 .. 6.0 su
Author Response: Caused by strongly vibrating C17 and C18 atoms which are bound in cyclopentadienyl ring.
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C17     
Author Response: The high U(eq) value compared to neighbors for the C17 and C18 atoms of the cyclopentadienyl ring can be ascribed to the large thermal vibration of the tail of the anion at room temperature.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Fe1     
Author Response: The Low U(eq) value compared to neighbors for the Fe1 and C17 atoms which are bound with the cyclopentadienyl ring can be ascribed to the large thermal vibration of the tail of the anion at room temperature.
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          4      

Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 12
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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