[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m67
[ doi:10.1107/S1600536812050908 ]

Diaquabis[4-(1H-imidazol-2-yl)pyridine-[kappa]N]bis(nitrato-[kappa]O)cadmium

C.-Y. Zhang, T. Wang and C.-M. Jin


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for O1
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.961 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Cd1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N4 PLAT480_ALERT_4_C Long H...A H-Bond Reported H4A .. O3 .. 2.65 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.258 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 10 PLAT976_ALERT_2_C Negative Residual Density at 0.81A from O2 . -0.40 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cd1 -- O1 .. 30.2 su PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 16 N1 -CD1 -N1 -C1 72.00 15.00 3.766 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 21 N1 -CD1 -N1 -C5 -114.00 15.00 3.766 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 38 O1 -CD1 -O1 -N4 29.00 12.00 3.766 1.555 1.555 1.555 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 88 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 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 4 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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