(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m352-m353 [ doi:10.1107/S1600536804004234 ]

cis-Dibromobis(4,4'-dimethyl-2,2'-bipyridine)manganese(II)

J. Sakamoto, N. Yoshikawa, H. Takashima, K. Tsukahara, N. Kanehisa, Y. Kai and K. Matsumura

Online 13 March 2004

Key indicators

Single-crystal X-ray study
T = 200 K
Mean (C-C) = 0.004 Å
R factor = 0.062
wR factor = 0.116
Data-to-parameter ratio = 16.6

checkCIF/PLATON results

No syntax errors found




Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
            Tmin and Tmax reported:      0.293     0.458
            Tmin' and Tmax expected:      0.446     0.458
            RR' =      0.657
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.62       
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.67 Ratio 

Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT350_ALERT_3_C Short   C-H Bond (0.96A)   C2     -   H2     ...       0.82 Ang.  
PLAT350_ALERT_3_C Short   C-H Bond (0.96A)   C8     -   H8     ...       0.81 Ang.  
PLAT733_ALERT_1_C Torsion Calc    -49.9(5), Rep    -49.9(2) ......       2.50 su-Rat
              N1  -MN1 -N1  -C5     1.555   1.555   4.555   4.555               

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 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
   1 ALERT type 4 Improvement, methodology, query or suggestion