Acta Cryst. (2004). E60, m151-m152  [ doi:10.1107/S1600536803029738 ]

The rhombohedral polymorph of scandium formate

A. B. Ilyukhin and S. P. Petrosyants

Online 10 January 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (O-C) = 0.001 Å
• R factor = 0.027
• wR factor = 0.078
• Data-to-parameter ratio = 23.2

checkCIF/PLATON results

No syntax errors found




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...          1       

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:   C3 H3 O6 Sc1
            Atom count from _chemical_formula_moiety:

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 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
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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