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Acta Cryst. (2005). E61, m1550-m1552  [ doi:10.1107/S1600536805021744 ]


I. Medina, J. T. Mague and M. J. Fink

Online 13 July 2005

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level A PLAT601_ALERT_2_A Structure Contains Solvent Accessible VOIDS of . 419.00 A   3
Author Response: As noted in the Experimental section, solvent of crystallization (benzene and/or pentane) was found but was so severely disordered about the 3-fold axis that its identity could not be confidently determined nor could it be modeled in any satisfactory manner. The disordered electron density was therefore removed with PLATON SQUEEZE.

Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) I1 - Cu1 .. 14.27 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) I2 - Cu1 .. 12.29 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) I2 - Cu2 .. 14.14 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) I2 - Cu1_a .. 15.32 su
1 ALERT level A = In general: serious problem 4 ALERT level B = Potentially serious problem 0 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 5 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 0 ALERT type 4 Improvement, methodology, query or suggestion

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