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Acta Cryst. (2010). E66, m1201-m1202  [ doi:10.1107/S1600536810034513 ]

[[mu]-N,N,N',N'-Tetrakis(2-pyridylmethyl)pentane-1,5-diamine]bis[dichloridocopper(II)] sesquihydrate

M. Bartholomä, H. Cheung, K. Darling and J. Zubieta

Online 4 September 2010


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Alert level C PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 7 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT731_ALERT_1_C Bond Calc 0.84(6), Rep 0.84(2) ...... 3.00 su-Ra O1 -H1WA 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.84(6), Rep 0.84(2) ...... 3.00 su-Ra O1 -H1WB 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.84(6), Rep 0.84(2) ...... 3.00 su-Ra O1 -H1WB 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.84(6), Rep 0.84(2) ...... 3.00 su-Ra O1 -H1WA 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 2.48(7), Rep 2.47(3) ...... 2.33 su-Ra H1WA -CL4 1.555 1.565 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 44
Alert level G PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 16.20 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 5 PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 25.00 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 11 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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