Acta Cryst. (2008). E64, m1291-m1292  [ doi:10.1107/S1600536808029449 ]

Aqua(3-carboxybenzoato-O¹)(nitrato-O)(dipyrido[3,2-a:2',3'-c]phenazine-²N⁴,N⁵)copper(II)

Y. An, X.-F. Li, L.-H. Dong and Y.-S. Yin

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.007 Å
• R factor = 0.060
• wR factor = 0.199
• Data-to-parameter ratio = 14.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         N5     

Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O7     
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          7      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.99      
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Labels ..........          2      
PLAT731_ALERT_1_C Bond    Calc     0.85(5), Rep   0.841(19) ......       2.63 su-Ra
              O1W  -H1WA    1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.85(5), Rep   0.841(19) ......       2.63 su-Ra
              O1W  -H1#     1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.85(5), Rep   0.841(19) ......       2.63 su-Ra
              O1W  -H1#     1.555   1.555                                      
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              C26 H17 Cu N5 O8                                                 

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         39      
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
   1 ALERT level B = Potentially serious problem
   9 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   6 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
   2 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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