(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, m378-m380 [ doi:10.1107/S1600536803011036 ]

Bis[tris(1,3-diaminopropane)manganese(II)] octasulfidotetraantimonate(III) dihydrate

L. Engelke and W. Bensch

Online 31 May 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.032
wR factor = 0.092
Data-to-parameter ratio = 30.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



PLAT_735  Alert B D-H     Calc     0.85(5), Rep   0.848(10) ....       5.00 su-Ratio
                     O1   -H1O     1.555   1.555

PLAT_735  Alert B D-H     Calc     0.84(7), Rep   0.849(10) ....       7.00 su-Ratio
                     O1   -H2O     1.555   1.555


 Alert Level C:



WEIGH_01  Alert C Extra text has been found in the                              
          _refine_ls_weighting_scheme field. This should be in the              
          _refine_ls_weighting_details field.                                   
          Weighting scheme given as calc w = 1/[\s^2^(Fo^2^)+(0.0455P)^2^+2.987 
          Weighting scheme identified as calc                                   

PLAT_420  Alert C D-H Without Acceptor       N(1)   -   H(1A)             ?

PLAT_420  Alert C D-H Without Acceptor       N(1)   -   H(1B)             ?

PLAT_420  Alert C D-H Without Acceptor       N(2)   -   H(2A)             ?

PLAT_420  Alert C D-H Without Acceptor       N(3)   -   H(3B)             ?

PLAT_420  Alert C D-H Without Acceptor       N(4)   -   H(4A)             ?

PLAT_420  Alert C D-H Without Acceptor       N(6)   -   H(6B)             ?


 0 Alert Level A = Potentially serious problem

 2 Alert Level B = Potential problem

 7 Alert Level C = Please check