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[Contents scheme]

Acta Cryst. (2013). E69, m542-m543
[ doi:10.1107/S1600536813024768 ]

[mu]-(2,6-Bis{[3-(dimethylamino)propyl]iminomethyl}-4-methylphenolato)-[mu]-hydroxido-bis[(thiocyanato-[kappa]N)copper(II)]

M. G. Meera, P. K. Selvaraj, B. Viswanathan and V. Ramkumar


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT021_ALERT_4_B Ratio Unique / Expected Reflections too High ... 3.390
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for N2 -- C9 .. 5.5 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C2 -- C11 .. 5.5 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C6 -- C9 .. 5.9 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C13 -- C14 .. 6.5 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu1 -- N3 .. 5.1 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu1 -- N6 .. 6.2 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu2 -- N5 .. 6.9 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O11 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N5 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N6 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N4 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C7 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C8 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 36
Alert level G PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 4 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT128_ALERT_4_G Note: Alternate Setting of Space-group P21/c . P21/n PLAT230_ALERT_2_G Hirshfeld Test Diff for S4 -- C7 .. 5.0 su PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 79 S4 -C7 -N5 -CU2 103.00 13.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 84 S3 -C8 -N6 -CU1 117.00 30.00 1.555 1.555 1.555 1.555 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2 PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! Info PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 57 % PLAT931_ALERT_5_G Check Twin Law ( )[ 1 0 1] Estimated BASF 0.22
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 16 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 16 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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