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Acta Cryst. (2014). E70, o6-o7  [ doi:10.1107/S1600536813032145 ]


R. M. Carballo, S. Hernández-Ortega, N. Padilla-Montaño, R. Reyes-Martínez and G. Mirón-López

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checkCIF/PLATON results

No syntax errors found

Alert level A ABSTY03_ALERT_1_A The _exptl_absorpt_correction_type has been given as none. However a value has been given for _exptl_absorpt_process_details. From the CIF: _exptl_absorpt_process_details multi-scan
Alert level B Crystal system given = triclinic PLAT230_ALERT_2_B Hirshfeld Test Diff for C26 -- C27 .. 9.0 su
Author Response: ... C-C bond distance is found within the described parameters and the difference between C-C bonds of the benzene ring is due to the thermal vibration without be disordered.

Alert level C ABSTY03_ALERT_1_C The _exptl_absorpt_correction_type has been given as none. However values have been given for Tmin and Tmax. Remove these if an absorption correction has not been applied. From the CIF: _exptl_absorpt_correction_T_min 0.861 From the CIF: _exptl_absorpt_correction_T_max 0.908 PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C38 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 17 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 Note PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00100 Deg. PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 2 Note PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 27
1 ALERT level A = Most likely a serious problem - resolve or explain 1 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 3 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 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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