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Acta Cryst. (2013). E69, m526
[ doi:10.1107/S1600536813023076 ]

Tricarbonylchlorido(6',7'-dihydro-5'H-spiro[cyclopentane-1,6'-dipyrido[3,2-d:2',3'-f][1,3]diazepine]-[kappa]2N1,N11)rhenium(I)

O. R. Clegg, L. P. Harding, J. W. Miller and C. R. Rice


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B Crystal system given = orthorhombic PLAT924_ALERT_1_B The Reported and Calculated Rho(min) Differ by . 2.08 eA-3
Author Response: The Reported and Calculated values may differ slightly due to a differing peak interpolation algorithm.

Alert level C PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.879 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 5 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.08 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.93 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Re1 1.02 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 2 PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 8.42 PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Re1 -- Cl1 .. 8.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Re1 -- C16 .. 5.8 su PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 14
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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