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Acta Cryst. (2012). E68, m1176
[ doi:10.1107/S1600536812035283 ]

catena-Poly[[[{1-[(E)-phenyl(pyridin-2-yl-[kappa]N)methylidene]semicarbazidato-[kappa]2N1,O}copper(II)]-[mu]-dicyanamido-[kappa]2N1:N5] monohydrate]

R. J. Kunnath, M. R. Prathapachandra Kurup and S. W. Ng


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for N13
Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N9 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N10 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C27 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C28 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C29 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C30 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0066 Ang PLAT420_ALERT_2_C D-H Without Acceptor N4 - H41 ... ? PLAT420_ALERT_2_C D-H Without Acceptor N8 - H81 ... ? PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -1.856 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 8
Alert level G PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 2 PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 8 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 9.82 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 100 Perc. PLAT311_ALERT_2_G Isolated Disordered Oxygen Atom (No H's ?) ..... O1W' PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 6 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1 (II) 2.42 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu2 (II) 2.41 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 12 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 4
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 12 ALERT level C = Check. Ensure it is not caused by an omission or oversight 16 ALERT level G = General information/check it is not something unexpected 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 12 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 5 ALERT type 5 Informative message, check

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