Acta Cryst. (2006). E62, m3026-m3028  [ doi:10.1107/S1600536806038980 ]

Bis(guanidinium) diaquapentanitrato-¹⁰O,O'-praseodymate(III)

A. Rohde and W. Urland

Online 25 October 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (N-C) = 0.005 Å
• R factor = 0.020
• wR factor = 0.052
• Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found






Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Pr     -   O11     ..      10.00 su   
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Pr     -   O21     ..      12.97 su   
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Pr     -   O22     ..      10.16 su   
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Pr     -   O32     ..      12.75 su   

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT213_ALERT_2_C Atom O12     has ADP max/min Ratio .............       3.30 prola
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pr     -   O31     ..       8.14 su   
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         Pr     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        N11     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         C1     
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1A2   ..  O23     ..       2.63 Ang. 
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          6      

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   8 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 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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