Acta Cryst. (2005). E61, m596-m597  [ doi:10.1107/S1600536805005350 ]

catena-Poly[hexamethylenediaminium [ferrate(III)--hydroxo-²O:O-di--sulfato-⁴O:O'] monohydrate]

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

Online 26 February 2005

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.004 Å
• R factor = 0.035
• wR factor = 0.100
• Data-to-parameter ratio = 16.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97       
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          8       

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   C6 H21 Fe1 N2 O10 S2
            Atom count from _chemical_formula_moiety:C6 H20 Fe1 N2 O10 S2

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   2 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
   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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