[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m298-m299
[ doi:10.1107/S1600536813011628 ]

Pyridinium bis(pyridine-[kappa]N)tetrakis(thiocyanato-[kappa]N)ferrate(III)

S. I. Shylin, I. A. Gural'skiy, M. Haukka, A. A. Kapshuk and E. V. Prisyazhnaya


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for S3 -- C13 .. 7.1 su
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for S1 -- C11 .. 7.0 su PLAT230_ALERT_2_C Hirshfeld Test Diff for S2 -- C12 .. 6.1 su PLAT230_ALERT_2_C Hirshfeld Test Diff for S4 -- C14 .. 5.4 su PLAT480_ALERT_4_C Long H...A H-Bond Reported H7AA .. S2 .. 2.94 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 33 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 1 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 6
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 1 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 1 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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