Acta Cryst. (2009). E65, m27  [ doi:10.1107/S1600536808038233 ]

Triaqua(2,2'-bipyridine)(5-nitroisophthalato-O)nickel(II) monohydrate

Y. Liu, Q. He, X. Zhang, Z. Xue and C. Lv

Online 10 December 2008

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.005 Å
• R factor = 0.043
• wR factor = 0.122
• Data-to-parameter ratio = 12.2

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   293.000
            Value of melting point given =     0.000
PLAT245_ALERT_2_C U(iso) H7W     Smaller than U(eq) O4W     by ...       0.04 AngSq
PLAT245_ALERT_2_C U(iso) H8W     Smaller than U(eq) O4W     by ...       0.04 AngSq

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         12      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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