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Acta Cryst. (2005). E61, m1478-m1480  [ doi:10.1107/S1600536805020866 ]

catena-Poly[[bis(ethane-1,2-diaminium) [ferrate(III)-[mu]-hydroxo-[kappa]2O:O-di-[mu]-sulfato-[kappa]4O:O']] sulfate monohydrate]

Y.-L. Fu, Z.-W. Xu, J.-L. Ren and S. W. Ng

Online 6 July 2005


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Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 8 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 14 PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.840(10) ...... 3.00 su-Rat O1W -H1W2 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat N1 -H1N1 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.96(3), Rep 0.950(10) ...... 3.00 su-Rat C1 -H1A 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.840(10) ...... 3.00 su-Rat O1W -H2# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat N1 -H3# 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 1.98(3), Rep 1.990(10) ...... 3.00 su-Rat H2# -O7 1.555 1.545
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion
checkCIF publication errors
Alert level A PUBL023_ALERT_1_A There is a mismatched ^ on line 131 [Fe(OH)(SO~4~)~2~]~n~ chain whose Fe^III atoms are bridged by the hydroxo and If you require a ^ then it should be escaped with a \, i.e. \^ Otherwise there must be a matching closing ~, e.g. ^12^C
1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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