[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m669
[ doi:10.1107/S1600536813031218 ]

2-[(Ferrocen-1-yl)(hy­droxy)meth­yl]prop-2-ene­nitrile

S. Selvanayagam, K. Ravikumar, S. Kathiravan and R. Raghunathan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... Fe1 Check PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.2 Note PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 22 PLAT976_ALERT_2_C Negative Residual Density at 0.75A from O1' . -0.45 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 2 Why ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.03000 Deg. PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 6 Note PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 3 Note PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 143
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 6 ALERT level G = General information/check it is not something unexpected 1 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 3 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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