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[Contents scheme]

Acta Cryst. (2012). E68, m1193
[ doi:10.1107/S1600536812035817 ]

trans-Dichloridotetrapyrazineruthenium(II) dichloromethane disolvate

V. N. Nesterov, W. Khan, A. E. Rangel and B. W. Smucker


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.68 PLAT480_ALERT_4_C Long H...A H-Bond Reported H3A .. CL1 .. 2.88 Ang.
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 27.04 From the CIF: _reflns_number_total 1399 Count of symmetry unique reflns 890 Completeness (_total/calc) 157.19% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 509 Fraction of Friedel pairs measured 0.572 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 2 Units PLAT164_ALERT_4_G Nr. of Refined C-H H-Atoms in Heavy-Atom Struct. 1 PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ru1 -- N1 .. 5.3 su
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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