Acta Cryst. (2008). E64, m784  [ doi:10.1107/S1600536808012609 ]

catena-Poly[[bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one-N⁴]cadmium(II)]-di--azido-⁴N¹:N³]

Y. Guo, H. Cai, J. Li and G. Wan

Online 7 May 2008

Key indicators

• Single-crystal X-ray study
• T = 294 K
• Mean (C-C) = 0.005 Å
• R factor = 0.032
• wR factor = 0.070
• Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.760     1.000
            Tmin(prime) and Tmax expected:      0.800     0.881
            RR(prime) =      0.838
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.83      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.88      
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        N15     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        N18     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        N19     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        N21     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Cd1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        N14     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        N20     
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          2     
            N24 -CD1 -N1  -C1    -47.70  0.80   1.455   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          7     
            N24 -CD1 -N1  -C2    127.00  0.70   1.455   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         13     
            N19 -CD1 -N4  -C13    15.40  1.20   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         18     
            N19 -CD1 -N4  -C12  -137.30  1.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         25     
            N13 -CD2 -N7  -C24    -2.90  1.20   1.655   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         30     
            N13 -CD2 -N7  -C23   147.60  0.90   1.655   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         39     
            N18 -CD2 -N10 -C34    50.30  1.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         44     
            N18 -CD2 -N10 -C35  -126.00  0.80   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         49     
            CD2 -N13 -N14 -N15   173.00  4.00   1.455   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         50     
            N13 -N14 -N15 -CD1   149.00  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 ... #         55     
            N16 -CD1 -N15 -N14   125.50  0.60   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         59     
            N15 -CD1 -N16 -N17   108.50  0.60   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         61     
            CD1 -N16 -N17 -N18  -116.00 12.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         62     
            N16 -N17 -N18 -CD2  -161.00 11.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         66     
            N10 -CD2 -N18 -N17   -83.50  0.90   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         71     
            N4  -CD1 -N19 -N20   -66.10  1.20   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         73     
            CD1 -N19 -N20 -N21    18.00  0.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         74     
            N19 -N20 -N21 -CD2  -145.00  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 ... #         79     
            N22 -CD2 -N21 -N20  -119.00  0.60   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         81     
            N21 -CD2 -N22 -N23  -111.20  0.60   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         85     
            CD2 -N22 -N23 -N24   115.00 14.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         86     
            N22 -N23 -N24 -CD1    16.00  0.00   1.555   1.555   1.555   1.655  

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.881
            Tmax scaled      0.881 Tmin scaled      0.670

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  32 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
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
  23 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster