Acta Cryst. (2006). E62, i74-i76  [ doi:10.1107/S1600536806006489 ]

Rb₂Cd₃(SO₄)₃(OH)₂·2H₂O: structural stability at 500 K

D. Swain and T. N. Guru Row

Online 28 February 2006

Key indicators

• Single-crystal X-ray study
• T = 500 K
• Mean (S-O) = 0.011 Å
• R factor = 0.058
• wR factor = 0.138
• Data-to-parameter ratio = 12.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for         O5     
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         S2     

Alert level C
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.89       
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Cd2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         S1     

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           27.29
           From the CIF: _reflns_number_total               1616
           Count of symmetry unique reflns          951
           Completeness (_total/calc)            169.93%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       665
           Fraction of Friedel pairs measured     0.699
           Are heavy atom types Z>Si present        yes

   0 ALERT level A = In general: serious problem
   2 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
   5 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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