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Acta Cryst. (2013). E69, m376-m377  [ doi:10.1107/S1600536813015456 ]

cis-(1,4,8,11-Tetraazacyclotetradecane-[kappa]N4)bis(thiocyanato-[kappa]N)chromium(III) thiocyanate

D. Moon, J.-H. Choi, K. S. Ryoo and Y. P. Hong


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Alert level C PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 24 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 4
Alert level G ABSMU01_ALERT_1_G Calculation of _exptl_absorpt_correction_mu not performed for this radiation type. PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 4 PLAT230_ALERT_2_G Hirshfeld Test Diff for S2 -- C12 .. 7.1 su PLAT230_ALERT_2_G Hirshfeld Test Diff for S3 -- C11 .. 10.9 su PLAT230_ALERT_2_G Hirshfeld Test Diff for N5 -- C11 .. 6.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cr1 -- N5 .. 5.3 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cr1 -- N6 .. 6.2 su PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 PLAT793_ALERT_4_G The Model has Chirality at N1 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at N2 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at N3 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at N4 (Verify) .... S PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 10 PLAT984_ALERT_1_G The Cr-f'= 0.338 Deviates from the B&C-Value 0.334
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 15 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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 7 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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