[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m38
[ doi:10.1107/S160053681204994X ]

Butan-1-aminium tetrachloridoferrate(III)-18-crown-6 (1/1)

Y. Zhang


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT223_ALERT_4_C Large Solvent/Anion H Ueq(max)/Ueq(min) ... 3.1 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C1 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C2 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C5 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O3 PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors of C7 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of Fe1 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C9 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0110 Ang PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C7 - C8 ... 1.42 Ang. PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C8 - C9 ... 1.42 Ang. PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C9 - C10 ... 1.39 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 49.766 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.756 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 7.569 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.365 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.759 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 5
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 ............ 2 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT794_ALERT_5_G Note: Tentative Bond Valency for Fe1 (III) 3.32
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 19 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 3 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 7 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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