Acta Cryst. (2008). E64, m1429  [ doi:10.1107/S1600536808032911 ]

trans-Dichloridobis(2,2-dimethylpropane-1,3-diamine-²N,N')chromium(III) perchlorate

J.-H. Choi, S. H. Lee and U. Lee

Online 18 October 2008

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.005 Å
• Disorder in solvent or counterion
• R factor = 0.051
• wR factor = 0.146
• Data-to-parameter ratio = 19.8

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   298.000
            Value of melting point given =     0.000
SHFSU01_ALERT_2_C  Test not performed. _refine_ls_shift/su_max and
            _refine_ls_shift/esd_max not present.
            Absolute value of the parameter shift to su ratio given   0.001
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cr     --  Cl1     ..       5.98 su   
PLAT420_ALERT_2_C D-H Without Acceptor       N2     -   H2BN   ...          ?      
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for         O1     
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for         O2     
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for         O3     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       Cl3A     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       Cl3B     
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Labels ..........          8      

Alert level G
PLAT302_ALERT_4_G Anion/Solvent Disorder .........................      29.00 Perc.

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   7 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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