[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1407
[ doi:10.1107/S160053681204367X ]

Dibromido(2,9-dimethyl-1,10-phenanthroline-[kappa]2N,N')cobalt(II) acetonitrile monosolvate

S. A. Shirvan, M. Aghajeri, S. Haydari Dezfuli, F. Khazali and A. Borsalani


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1 PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density -2.70 eA-3 PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density -2.70 eA-3 PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density -2.64 eA-3
Alert level C PLAT213_ALERT_2_C Atom C4 has ADP max/min Ratio ..... 3.4 prola PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0141 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 9.146 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.020 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 21 PLAT924_ALERT_1_C The Reported and Calculated Rho(min) Differ by . 1.68 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.75 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.56 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.56 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.29 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.12 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C1 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C12 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 4 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 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 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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