[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m271-m272
[ doi:10.1107/S1600536813010234 ]

Di-[mu]-cyanido-tetracyanido(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)[N-(quinolin-8-yl)quinoline-2-carboxamidato]diiron(III)nickel(II) 2.07-hydrate

Y. Yang, H. Zhou and X. Shen


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT420_ALERT_2_B D-H Without Acceptor >O1W - >H1WA ... ? PLAT420_ALERT_2_B D-H Without Acceptor >O1W - >H1WB ... ? PLAT420_ALERT_2_B D-H Without Acceptor >O2W - >H2WB ... ? PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 12
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.970 PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. ? PLAT230_ALERT_2_C Hirshfeld Test Diff for C21 -- C22 .. 6.7 su PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.278 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 67 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 7 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 ? PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- N5 .. 6.2 su PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 100 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 PLAT793_ALERT_4_G The Model has Chirality at N7 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at N8 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C25 (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 7 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 98
0 ALERT level A = Most likely a serious problem - resolve or explain 4 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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