[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o301
[ doi:10.1107/S1600536813002195 ]

The charge-transfer complex 1-aminoanthraquinone-7,7',8,8'-tetracyanoquinodimethane (1/1)

A. B. de Oliveira, J. Beck, J. Daniels, J. N. Santos and B. R. S. Feitosa


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.12 Rint given 0.147 PLAT230_ALERT_2_C Hirshfeld Test Diff for C24 -- C25 .. 5.1 su PLAT245_ALERT_2_C U(iso) H10 Smaller than U(eq) C10 by ... 0.013 AngSq PLAT353_ALERT_3_C Long N-H Bond (0.87A) N1 - HN2 ... 1.02 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 5 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 4 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C5 -C7 1.45 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C21 - C22 ... 1.43 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C21 - C23 ... 1.44 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C24 - C25 ... 1.43 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C24 - C26 ... 1.43 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2
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 10 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 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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