(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, m1304-m1306 [ doi:10.1107/S1600536805017757 ]

Bis[4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato]manganese(III) nitrate

N. Wang

Online 10 June 2005

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.006 Å
Disorder in solvent or counterion
R factor = 0.046
wR factor = 0.125
Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         N5     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      43.00 Perc. 
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br1    ..  Br2     ..       3.53 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  C7     ..  O5'     ..       2.97 Ang.  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         14     
            N3  -MN1 -N1  -C8    166.00  3.00   1.555   1.555   1.555   1.555   

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