Acta Cryst. (2003). E59, i145-i146  [ doi:10.1107/S1600536803021536 ]

Diamminehexabromodiscandium(III)

G. Meyer, N. Cesur and I. Pantenburg

Online 7 October 2003

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (Sc-N) = 0.008 Å
• R factor = 0.040
• wR factor = 0.096
• Data-to-parameter ratio = 37.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.99       

Alert level C
GOODF01_ALERT_2_C  The least squares goodness of fit parameter lies
            outside the range 0.80 <> 2.00
            Goodness of fit given =      0.789
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT155_ALERT_4_C The Triclinic Unitcell is NOT Reduced ..........          ?
PLAT156_ALERT_4_C Axial System Input Cell not Standard ...........          ?
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H1A    ...          ?       
PLAT420_ALERT_2_C D-H Without Acceptor       N2     -   H2A    ...          ?       

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   2 ALERT type 4 Improvement, methodology, query or suggestion

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