[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1138
[ doi:10.1107/S1600536812028917 ]

[1-(5-Bromo-2-oxidobenzylidene)thiosemicarbazidato-[kappa]3O,N1,S](pyridine-[kappa]N)nickel(II)

F. R. S. Pederzolli, L. Bresolin, J. Beck, J. Daniels and A. B. de Oliveira


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.962 PLAT420_ALERT_2_C D-H Without Acceptor N3 - H2 ... ? PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 58 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 63 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 5
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.93 mm PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ni1 -- S1 .. 5.0 su PLAT434_ALERT_2_G Short Inter HL..HL Contact Br1 .. Br1 . 3.54 Ang. PLAT434_ALERT_2_G Short Inter HL..HL Contact Br1 .. Br1 . 3.54 Ang.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 2 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 4 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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