(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, m349-m350 [ doi:10.1107/S160053680500156X ]

Tris(1,10-phenanthroline-N,N')manganese(II) bis(perchlorate) chloroform disolvate

G.-H. Cui and J.-R. Li

Online 22 January 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
R factor = 0.073
wR factor = 0.205
Data-to-parameter ratio = 14.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98       
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT199_ALERT_1_C Check the Reported cell_measurement_temperature         293       
PLAT200_ALERT_1_C Check the Reported cell_ambient_temperature ....        293       
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl1     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl2     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C37     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C38     
PLAT333_ALERT_2_C Large Average Benzene C-C Dist.  C4     -C12           1.43 Ang.  
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8       
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl5    ..  O1      ..       3.22 Ang.  
PLAT731_ALERT_1_C Bond    Calc   1.298(19), Rep    1.298(9) ......       2.11 su-Rat
              CL2  -O5      1.555   1.555                                       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          5       
              C H Cl3                                                           

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

   5 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
   2 ALERT type 3 Indicator that the structure quality may be low
   5 ALERT type 4 Improvement, methodology, query or suggestion