Acta Cryst. (2004). E60, m381-m383  [ doi:10.1107/S1600536804005070 ]

Tetra-n-butylamine(carbonato-²O,O')cobalt(III) n-butylcarbamate dihydrate

T. D. Keene, M. B. Hursthouse and D. J. Price

Online 20 March 2004

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean (C-C) = 0.003 Å
• R factor = 0.041
• wR factor = 0.108
• Data-to-parameter ratio = 21.2

checkCIF/PLATON results

No syntax errors found




Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
            Tmin and Tmax reported:      0.634     0.953
            Tmin' and Tmax expected:      0.906     0.953
            RR' =      0.700
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.70       

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.59 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.38 Ratio 
PLAT420_ALERT_2_C D-H Without Acceptor       N5     -   H5     ...          ?       

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

   1 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
   3 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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