(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m328-m330 [ doi:10.1107/S1600536802010048 ]

Aquatetrakis(2-methylpyrazine-N)(nitrato-O)copper(II) nitrate

T. Otieno, A. T. Pinkston, N. C. Johnson and S. Parkin

Online 14 June 2002

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.005 Å
Disorder in main residue
R factor = 0.049
wR factor = 0.129
Data-to-parameter ratio = 12.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #      3
                   N5  -CU  -N1  -C4   -179.00100.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #      8
                   N5  -CU  -N1  -C1     -5.00  4.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     21
                   N7  -CU  -N3  -C9    -41.50  0.90   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     26
                   N7  -CU  -N3  -C6    137.40  0.70   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     43
                   N1  -CU  -N5  -C14   103.00  4.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     48
                   N1  -CU  -N5  -C11   -77.00  4.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     61
                   N3  -CU  -N7  -C19   156.10  0.70   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     66
                   N3  -CU  -N7  -C16   -24.20  0.90   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     89
                   O1  -CU  -O1N2-N1N2 -159.30  0.70   1.555   1.555   1.555   1.555


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 9 Alert Level C = Please check