Acta Cryst. (2006). E62, m126-m128  [ doi:10.1107/S1600536806014176 ]

Nonaaquayttrium(III) tris(bromate)

A. Abbasi and L. Eriksson

Online 26 April 2006

Key indicators

• Single-crystal X-ray study
• T = 291 K
• Mean (r-O) = 0.005 Å
• Disorder in main residue
• R factor = 0.029
• wR factor = 0.089
• Data-to-parameter ratio = 9.9

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT430_ALERT_2_A Short Inter D...A Contact  O4     ..  O4      ..       2.04 Ang.  

PLAT430_ALERT_2_A Short Inter D...A Contact  O4     ..  O4      ..       2.04 Ang.  

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT076_ALERT_1_C Occupancy       0.50 less than 1.0 for Sp.pos  .         O4       
PLAT088_ALERT_3_C Poor Data / Parameter Ratio ....................       9.88       
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.62 Ratio 
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for          Y     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         Br     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       7.00 Perc. 
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br     ..  O4      ..       3.09 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br     ..  O4      ..       3.09 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br     ..  O4      ..       3.09 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br     ..  O4      ..       3.09 Ang.  

   2 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  11 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
   9 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

Copyright © International Union of Crystallography
IUCr Webmaster