[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m333
[ doi:10.1107/S1600536813013317 ]

Bis(but-2-enoato-[kappa]O)triphenylbismuth(V)

P. V. Andreev, N. V. Somov, O. S. Kalistratova, A. V. Gushchin and E. V. Chuprunov


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A EXPT108_ALERT_1_A The magnitudes of the crystal dimensions do not match the min, mid and max definitions
Author Response: This crystal is almost shaped sphere, the "_exptl_crystal_size_rad " is only meaningful.

Alert level B Crystal system given = triclinic PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 11
Alert level C PLAT234_ALERT_4_C Large Hirshfeld Difference C15 -- C16 .. 0.17 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O1B PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C16 PLAT480_ALERT_4_C Long H...A H-Bond Reported H4B1 .. C2A .. 2.85 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 20
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 ? 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) Bi -- O2A .. 9.8 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Bi -- O2B .. 7.8 su PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C4B PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 6 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 3
1 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 10 ALERT level G = General information/check it is not something unexpected 3 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 3 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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