[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m544
[ doi:10.1107/S1600536813024914 ]

Tetrakis(acetonitrile)copper(I) hydrogen oxalate-oxalic acid-acetonitrile (1/0.5/0.5)

A. T. Royappa, J. R. Stepherson, O. D. Vu, A. D. Royappa, C. L. Stern and P. Müller


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.972 PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? Check PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C11 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.620 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 83
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? Check PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT128_ALERT_4_G Note: Alternate Setting of Space-group P21/c . P21/n PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 6 % PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 3 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 18 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 87 %
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 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 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: A. Timothy Royappa conceived the idea for the project and helped synthesize the title compound; Jacob R. Stepherson, Oliver D. Vu and Andrew D. Royappa assisted with the synthesis of the title compound; Charlotte L. Stern collected the X-ray diffraction data and carried out the initial structure solution and refinement; Peter Mueller refined the disorder in the structure.

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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