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Acta Cryst. (2013). E69, m469-m470  [ doi:10.1107/S1600536813019739 ]

Diammonium tetrakis(isothiocyanato)zincate-1,4,10,13,16-hexaoxacyclooctadecane-water (1/2/1)

K. Showrilu, K. Rajarajan and M. NizamMohideen


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.94 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Zn1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT975_ALERT_2_C Positive Residual Density at 0.57A from O1W . 0.41 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 53 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 40 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? Check PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT230_ALERT_2_G Hirshfeld Test Diff for S1 -- C1 .. 5.5 su PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for O1 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for O2 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for O5 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for O1' PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 64 % PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 33 % PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 12 PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 276
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 16 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 13 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 2 ALERT type 5 Informative message, check

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