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Acta Cryst. (2012). E68, m23-m24  [ doi:10.1107/S1600536811052214 ]

(12,17-Diethoxycarbonyl-11,18-dimethyl-2,3:6,7-dibutanocorrphycenato)copper(II)-12,17-diethoxycarbonyl-11,18-dimethyl-2:3,6:7-dibutanocorrphycene (3/97)

Y. Ohgo, Y. Yokoyama, D. Hashizume, S. Neya and M. Nakamura

Online 10 December 2011


Key indicators

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Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for C34 -- C35 .. 8.0 su
Alert level C PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. ? PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.91 PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C34 - C35 ... 1.43 Ang. PLAT420_ALERT_2_C D-H Without Acceptor N1 - >H1 ... ? PLAT420_ALERT_2_C D-H Without Acceptor N3 - >H3 ... ? PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 9 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 34 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.61 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.13 PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 4 Units PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00200 Deg. PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 0 Perc. PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 9 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 3 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 2 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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