[Open access]

Acta Cryst. (2012). E68, i71
[ doi:10.1107/S1600536812037038 ]

Pb6Co9(TeO6)5

C. Artner and M. Weil


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT971_ALERT_2_A Large Calcd. Non-Metal Positive Residual Density 3.52 eA-3
Author Response: From the SHELX output ALL relevant remaining electron density is found NEAR the Pb atoms (as expected, see CIF). Probably another problem with respect to differences between PLATON and SHELXL.

Alert level C PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: PB1 -- PB2 .. 3.58 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: PB1 -- PB2 .. 3.58 Ang. PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 Co9 O30 Pb6 Te5 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 6 PLAT924_ALERT_1_C The Reported and Calculated Rho(min) Differ by . 1.04 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.50 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.04 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.74 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.54 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.73A from O1 . 1.08 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.81A from O6 . -1.33 eA-3
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 37.57 From the CIF: _reflns_number_total 2262 Count of symmetry unique reflns 1386 Completeness (_total/calc) 163.20% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 876 Fraction of Friedel pairs measured 0.632 Are heavy atom types Z>Si present yes PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in 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) Pb1 -- Te2 .. 38.4 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Pb2 -- Te1 .. 36.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Te1 -- Co1 .. 6.8 su
1 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 11 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 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 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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