[Open access]

Acta Cryst. (2013). E69, i26
[ doi:10.1107/S1600536813008507 ]

Pentacobalt(II) divanadium(III) tetrakis(diphosphate), Co5V2(P2O7)4

A. Bronova, R. Glaum and C. Litterscheid


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C SHFSU01_ALERT_2_C The absolute value of parameter shift to su ratio > 0.05 Absolute value of the parameter shift to su ratio given 0.058 Additional refinement cycles may be required. PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.967 PLAT080_ALERT_2_C Maximum Shift/Error ............................ 0.06 PLAT213_ALERT_2_C Atom Co1 has ADP max/min Ratio ..... 3.1 prola PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 Co10 O56 P16 V4 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.085 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT975_ALERT_2_C Positive Residual Density at 0.59A from O11 . 0.76 eA-3
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 13 Perc. PLAT791_ALERT_4_G Note: The Model has Chirality at P1 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at P2 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at P3 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at P4 (Verify) S PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 52 PLAT952_ALERT_5_G Reported and Calculated Lmax Values Differ by .. 2
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 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 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

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