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Acta Cryst. (2005). E61, o1528-o1530  [ doi:10.1107/S1600536805021239 ]

Di-[mu]-aqua-bis({N-[(2-dimethylamino-[kappa]N)ethyl]-N,N',N'-trimethylethane-1,2-diamine-[kappa]2N,N'}sodium(I)) diiodide

E. Jeanneau, S. Mishra and L. G. Hubert-Pfalzgraf

Online 13 July 2005


checkCIF/PLATON results

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Datablock: I



Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.11 PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 12 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 11 PLAT410_ALERT_2_C Short Intra H...H Contact H52 .. H52 .. 1.97 Ang. PLAT731_ALERT_1_C Bond Calc 0.82(5), Rep 0.820(14) ...... 3.57 su-Rat O2 -H7 1.555 6.555 PLAT731_ALERT_1_C Bond Calc 0.82(5), Rep 0.820(14) ...... 3.57 su-Rat O2 -H7 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.98(4), Rep 0.977(19) ...... 2.11 su-Rat C5 -H51 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.96(4), Rep 0.960(19) ...... 2.11 su-Rat C8 -H83 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.96(5), Rep 0.961(19) ...... 2.63 su-Rat C9 -H91 1.555 1.555 PLAT732_ALERT_1_C Angle Calc 108(4), Rep 108.6(17) ...... 2.35 su-Rat H81 -C8 -H82 1.555 1.555 1.555 PLAT732_ALERT_1_C Angle Calc 110(4), Rep 109.3(17) ...... 2.35 su-Rat H81 -C8 -H83 1.555 1.555 1.555 PLAT732_ALERT_1_C Angle Calc 109(4), Rep 109.1(17) ...... 2.35 su-Rat H91 -C9 -H93 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 14 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 10 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

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