[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m283
[ doi:10.1107/S1600536813010441 ]

catena-Poly[[tetraaquacadmium]-[mu]-5,5'-(1,4-phenylene)di(tetrazol-2-ido)-[kappa]2N2:N2']

Q. Dang and H. Caiyun


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cd1 -- O2 .. 8.0 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Cd1 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.1 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C8 H12 Cd N8 O4 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 6.296 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 2 PLAT975_ALERT_2_C Positive Residual Density at 0.99A from O1 . 0.45 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 1.09A from O2 . 0.43 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.52A from O2 . -0.45 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.60A from O2 . -0.42 eA-3
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n 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 Cd1 (II) 1.87 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 57 Perc. PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 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 9 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 5 ALERT type 5 Informative message, check

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