Acta Cryst. (2005). E61, i38-i40  [ doi:10.1107/S1600536805005088 ]

Ammonium chlorite, NH₄ClO₂, at 150  K

A. I. Smolentsev and D. Y. Naumov

Online 26 February 2005

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (Cl-O) = 0.001 Å
• R factor = 0.016
• wR factor = 0.040
• Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl     ..  O       ..       3.16 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl     ..  O       ..       3.16 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl     ..  O       ..       3.18 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl     ..  O       ..       3.18 Ang.  

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           28.15
           From the CIF: _reflns_number_total                203
           Count of symmetry unique reflns          133
           Completeness (_total/calc)            152.63%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured        70
           Fraction of Friedel pairs measured     0.526
           Are heavy atom types Z>Si present          yes

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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

Copyright © International Union of Crystallography
IUCr Webmaster