Acta Cryst. (2005). E61, o2179-o2180  [ doi:10.1107/S1600536805018374 ]

1,4-Bis(dibromomethylidene)cyclohexane: crystal packing with BrBr and Br contacts

P. G. Jones, J. Kämpen, P. Bubenitschek and H. Hopf

Online 17 June 2005

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.011 Å
• R factor = 0.041
• wR factor = 0.105
• Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found



Alert level A
ABSTM02_ALERT_3_A  Crystal and compound unsuitable for non-numerical
               corrections. Product of mu and tmid > 3.0
             Value of mu given =    14.961 tmid =     0.300
PLAT060_ALERT_3_A Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       5.22       
PLAT065_ALERT_3_A Crystal Requires Numerical Correction mu*tmid ..       4.49       

Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.96       

Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.11       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         11       
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br2    ..  Br2     ..       3.50 Ang.  

   3 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   0 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
   5 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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