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[Contents scheme]

Acta Cryst. (2013). E69, m212-m213
[ doi:10.1107/S1600536813006867 ]

Tris(2,2'-bipyridine)copper(II) pentacyanidonitrosoferrate(II) methanol disolvate monohydrate

J. A. Rusanova, O. V. Nesterova, R. I. Zubatyuk and O. V. Kozachuk


Key indicators

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.950
Author Response: some frames were affected by crystal slippage and were removed. The lower percentage of data may affect the precision of the structure.

Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for N3 -- C11 .. 7.0 su PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0064 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 7.484 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 9 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 333
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cu1 -- N1 .. 5.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- C7A .. 7.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- C9A .. 6.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- C10A .. 7.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- C11A .. 9.5 su PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 8 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1 (II) 2.97 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 71
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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