![[Open access]](http://journals.iucr.org/e/graphics/free.gif)
![[Contents scheme]](lh5510contents.gif)
Acta Cryst. (2012). E68, m1226-m1227
[ doi:10.1107/S1600536812036677 ]
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif){kind=small}
(C-C) = 0.016 ÅNo syntax errors found
Alert level B Crystal system given = triclinic PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.2 Ratio
| Author Response: The high variation in Ueq of carbon atoms is caused by dynamic disorder of some organic molecules. Due to presence of heavy Mo atoms the disorder could not be resolved. |
Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.12 Rint given 0.127 PLAT213_ALERT_2_C Atom O24 has ADP max/min Ratio ..... 3.2 prola PLAT213_ALERT_2_C Atom C112 has ADP max/min Ratio ..... 3.5 prola PLAT213_ALERT_2_C Atom O5S has ADP max/min Ratio ..... 3.1 prola PLAT213_ALERT_2_C Atom C45 has ADP max/min Ratio ..... 3.4 prola PLAT213_ALERT_2_C Atom C95 has ADP max/min Ratio ..... 3.4 prola PLAT213_ALERT_2_C Atom C103 has ADP max/min Ratio ..... 3.1 prola PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.3 Ratio
| Author Response: The high variation in Ueq of carbon atoms is caused by dynamic disorder of some organic molecules. Due to presence of heavy Mo atoms the disorder could not be resolved. |
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.7 Ratio
| Author Response: The high variation in Ueq of carbon atoms is caused by dynamic disorder of some organic molecules. Due to presence of heavy Mo atoms the disorder could not be resolved. |
PLAT230_ALERT_2_C Hirshfeld Test Diff for N4 -- C45 .. 5.3 su PLAT234_ALERT_4_C Large Hirshfeld Difference C82 -- C83 .. 0.25 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference N2 -- C21 .. 0.19 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference N2 -- C25 .. 0.21 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference N11 -- C115 .. 0.22 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C22 -- C23 .. 0.22 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C112 -- C113 .. 0.19 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C32 -- C33 .. 0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C102 -- C103 .. 0.19 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C81 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C21 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N9 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.2 PLAT303_ALERT_2_C Full Occupancy H-Atom H1S with # Connections 2.00 PLAT303_ALERT_2_C Full Occupancy H-Atom H2S with # Connections 2.00 PLAT303_ALERT_2_C Full Occupancy H-Atom H3S with # Connections 2.00 PLAT303_ALERT_2_C Full Occupancy H-Atom H4S with # Connections 2.00 PLAT303_ALERT_2_C Full Occupancy H-Atom H9S with # Connections 2.00 PLAT303_ALERT_2_C Full Occupancy H-Atom H10S with # Connections 2.00 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0159 Ang PLAT412_ALERT_2_C Short Intra XH3 .. XHn H22B .. H25A .. 1.85 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Mo23 1.49 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Mo18 1.45 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Mo14 1.43 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Mo20 1.29 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Mo7 1.28 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Mo16 1.27 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Mo2 1.17 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Mo6 1.11 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Mo1 1.11 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 5 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 34 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 7 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00100 Deg. PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C25 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C54 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 177 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 15
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 41 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 33 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 11 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check
Copyright © International Union of Crystallography
IUCr Webmaster