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Acta Cryst. (2013). E69, i51  [ doi:10.1107/S1600536813019235 ]

Pentazirconium copper tribismuth

A. Balinska, I. Tarasiuk and V. Pavlyuk


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.12 Rint given 0.136 PLAT731_ALERT_1_C Bond Calc 2.9319(19), Rep 2.9319(6) ...... 3 su-Ra BI1 -ZR1 1.555 3.665 # 1 PLAT731_ALERT_1_C Bond Calc 2.932(2), Rep 2.9319(6) ...... 3 su-Ra BI1 -ZR1 1.555 14.666 # 2 PLAT731_ALERT_1_C Bond Calc 3.1896(5), Rep 3.1896(2) ...... 3 su-Ra BI1 -ZR2 1.555 2.555 # 5 PLAT731_ALERT_1_C Bond Calc 3.1896(5), Rep 3.1896(2) ...... 3 su-Ra BI1 -ZR2 1.555 14.666 # 6 PLAT731_ALERT_1_C Bond Calc 3.1896(5), Rep 3.1896(2) ...... 3 su-Ra BI1 -ZR2 1.555 1.555 # 7 PLAT731_ALERT_1_C Bond Calc 3.1896(5), Rep 3.1896(2) ...... 3 su-Ra BI1 -ZR2 1.555 13.665 # 8 PLAT731_ALERT_1_C Bond Calc 2.9319(17), Rep 2.9319(6) ...... 3 su-Ra ZR1 -BI1 1.555 3.655 # 12 PLAT731_ALERT_1_C Bond Calc 2.9319(18), Rep 2.9319(6) ...... 3 su-Ra ZR1 -BI1 1.555 14.566 # 13 PLAT731_ALERT_1_C Bond Calc 3.1896(6), Rep 3.1896(2) ...... 3 su-Ra ZR2 -BI1 1.555 15.555 # 22 PLAT731_ALERT_1_C Bond Calc 3.1896(7), Rep 3.1896(2) ...... 4 su-Ra ZR2 -BI1 1.555 14.666 # 23 PLAT731_ALERT_1_C Bond Calc 3.1896(6), Rep 3.1896(2) ...... 3 su-Ra ZR2 -BI1 1.555 3.655 # 24 PLAT731_ALERT_1_C Bond Calc 3.1896(5), Rep 3.1896(2) ...... 3 su-Ra ZR2 -BI1 1.555 2.654 # 25 PLAT731_ALERT_1_C Bond Calc 3.1896(5), Rep 3.1896(2) ...... 3 su-Ra ZR2 -BI1 1.555 13.665 # 26 PLAT731_ALERT_1_C Bond Calc 3.613(2), Rep 3.6126(9) ...... 2 su-Ra ZR2 -ZR1 1.555 2.654 # 30 PLAT732_ALERT_1_C Angle Calc 68.66(3), Rep 68.66(1) ...... 3.33 su-Ra ZR2 -BI1 -ZR1 1.555 1.555 1.555 # 35 PLAT925_ALERT_1_C The Reported and Calculated Rho(max) Differ by . 1.75 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.25 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.73 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.18 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.83 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.80 eA-3
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 2 Units PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: ZR1 -- ZR2 .. 3.61 Ang. PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: ZR1 -- ZR2 .. 3.61 Ang. PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: ZR1 -- ZR2 .. 3.61 Ang. PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: ZR1 -- ZR2 .. 3.61 Ang. PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: ZR2 -- ZR1 .. 3.61 Ang. PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: ZR2 -- ZR1 .. 3.61 Ang. PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: ZR2 -- ZR1 .. 3.61 Ang. PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: ZR2 -- ZR1 .. 3.61 Ang. PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... ! Check
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 22 ALERT level C = Check. Ensure it is not caused by an omission or oversight 14 ALERT level G = General information/check it is not something unexpected 27 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 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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