Acta Cryst. (2004). E60, i127-i130  [ doi:10.1107/S1600536804023232 ]

Reinvestigation of the Pb₂[B₅O₉]Br structure based on single-crystal data

O. V. Yakubovich, N. N. Mochenova, O. V. Dimitrova and W. Massa

Online 9 October 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (O-B) = 0.019 Å
• R factor = 0.034
• wR factor = 0.080
• Data-to-parameter ratio = 29.2

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT220_ALERT_2_A Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       5.67 Ratio 

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           31.00
           From the CIF: _reflns_number_total               2544
           Count of symmetry unique reflns         1488
           Completeness (_total/calc)            170.97%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1056
           Fraction of Friedel pairs measured     0.710
           Are heavy atom types Z>Si present          yes

   1 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   0 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
   1 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

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