Acta Cryst. (2007). E63, m1641-m1642  [ doi:10.1107/S1600536807020442 ]

_LL-Bis(-L-cysteinato)-1:2³S:N,S;1:3³S:N,S-tetrakis(ethylenediamine)-2⁴N,N';3⁴N,N'-dicobalt(III)silver(I) tris(perchlorate) pentahydrate

M. Tamura, N. Yoshinari, A. Igashira-Kamiyama and T. Konno

Online 10 May 2007

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.006 Å
• Disorder in solvent or counterion
• R factor = 0.023
• wR factor = 0.060
• Data-to-parameter ratio = 7.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.98      
PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) .....       7.29      
PLAT153_ALERT_1_C The su's on the Cell Axes   are Equal (x 100000)        200 Ang. 
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for         O7     
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for         O9     
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        O12     
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        O13     
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        O14     
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         O8     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        O10     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      40.00 Perc.
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........        O10     
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........        O12     
PLAT432_ALERT_2_C Short Inter X...Y Contact  O3     ..  C6      ..       2.97 Ang. 

Alert level G
REFLT03_ALERT_4_G  WARNING: Large fraction of Friedel related reflns may
                     be needed to determine absolute structure
           From the CIF: _diffrn_reflns_theta_max           27.50
           From the CIF: _reflns_number_total               2346
           Count of symmetry unique reflns         2346
           Completeness (_total/calc)            100.00%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present        yes
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C2     = .          R      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         13      

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

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

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