(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1137-m1138 [ doi:10.1107/S1600536804017076 ]

-1,5-Dicyanamido-bis[chloro(1,4,7-triazacyclononane)copper(II)] perchlorate

Z.-D. Wang, W. Han, S.-P. Yan, D.-Z. Liao, Z.-H. Jiang and P. Cheng

Online 17 July 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
R factor = 0.043
wR factor = 0.103
Data-to-parameter ratio = 17.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N2     -   C3      ..       5.15 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         N5     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         N6     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         C4     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C7     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C8     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Cl3     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         25     
            N1  -CU1 -N4  -C7    -67.00  3.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         26     
            N3  -CU1 -N4  -C7    -15.00  3.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         27     
            N2  -CU1 -N4  -C7     66.00  3.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         28     
            CL1 -CU1 -N4  -C7    176.00  3.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         29     
            N9  -CU2 -N6  -C8    -19.00  3.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         49     
            N6  -CU2 -N9  -C13   -78.80  1.80   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         53     
            N6  -CU2 -N9  -C12    46.30  1.90   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         72     
            CU1 -N4  -C7  -N5    159.00  4.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         73     
            C8  -N5  -C7  -N4    164.00  5.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         74     
            CU2 -N6  -C8  -N5   -178.00100.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         75     
            C7  -N5  -C8  -N6    174.00  5.00   1.555   1.555   1.555   1.555   

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  20 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
   6 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
  13 ALERT type 4 Improvement, methodology, query or suggestion