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[Contents scheme]

Acta Cryst. (2012). E68, m1455-m1456
[ doi:10.1107/S1600536812044959 ]

(3-Acetyl-5-carboxylato-4-methyl-1H-pyrazol-1-ido-[kappa]2N1,O5)aqua[(pyridin-2-yl)methanamine-[kappa]2N,N']copper(II)

S. Malinkin, V. A. Pavlenko, E. Gumienna-Kontecka, E. V. Prisyazhnaya and T. S. Iskenderov


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.23 PLAT417_ALERT_2_C Short Inter D-H..H-D H1N4 .. H2O4 .. 2.11 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cu1 -- O1 .. 5.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cu1 -- N1 .. 6.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cu1 -- N3 .. 7.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cu1 -- N4 .. 7.3 su PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C6 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 6 N3 -CU1 -N1 -N2 -105.30 1.20 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 10 N3 -CU1 -N1 -C2 77.80 1.20 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 15 N1 -CU1 -N3 -C12 107.50 1.20 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 19 N1 -CU1 -N3 -C8 -77.60 1.20 1.555 1.555 1.555 1.555 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1 (II) 2.21 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 644
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 ALERT level G = General information/check it is not something unexpected 0 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 2 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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