[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2642
[ doi:10.1107/S1600536812033892 ]

4,6-Dibromoisophthalic acid monohydrate

B. Ye


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C2 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.3 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0109 Ang PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C8 H4 Br2 O4 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 23.560 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.528 PLAT975_ALERT_2_C Positive Residual Density at 1.07A from OW . 0.53 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 1.08A from OW . 0.41 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 3 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 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 2 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

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