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Acta Cryst. (2004). E60, m1487-m1489 [ doi:10.1107/S160053680402327X ]
Bis[(acetato-![[kappa]](/logos/entities/kappa_rmgif.gif)
O)bis(2,2'-bipyridine-2N,N')copper(II)] 4-carboxyphenoxyacetate hexahydrate
S. Gao, L.-H. Huo, C.-S. Gu, H. Zhao and S. W. Ng
Online 25 September 2004
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(C-C) = 0.004 Å
- R factor = 0.046
- wR factor = 0.106
- Data-to-parameter ratio = 16.1
checkCIF/PLATON results
No syntax errors found
Alert level B
ABSTM02_ALERT_3_B The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
Tmin and Tmax reported: 0.490 0.851
Tmin' and Tmax expected: 0.706 0.847
RR' = 0.690
Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large ............. 0.69
PLAT417_ALERT_2_B Short Inter D-H..H-D H3W2 .. H3W2 .. 1.58 Ang.
Alert level C
CELLV02_ALERT_1_C The supplied cell volume s.u. differs from that
calculated from the cell parameter s.u.'s by > 2
Calculated cell volume su = 10.64
Cell volume su given = 7.00
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for N6 - C34 .. 5.31 su
PLAT230_ALERT_2_C Hirshfeld Test Diff for O9 - C53 .. 5.26 su
PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for O2
PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for O4
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C1
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C23
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.10
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 10
N3 -CU1 -N1 -C3 70.90 1.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 14
N3 -CU1 -N1 -C7 -107.70 1.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 26
N1 -CU1 -N3 -C17 -2.10 1.10 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 30
N1 -CU1 -N3 -C13 -178.00 41.00 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 42
N7 -CU2 -N5 -C29 151.40 0.50 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 46
N7 -CU2 -N5 -C25 -26.80 0.70 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 58
N5 -CU2 -N7 -C39 -43.70 0.70 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 62
N5 -CU2 -N7 -C35 128.40 0.60 1.555 1.555 1.555 1.555
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 12
PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.840(10) ...... 3.00 su-Rat
O1W -H1W1 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.86(3), Rep 0.860(10) ...... 3.00 su-Rat
O1W -H1W2 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.84(3), Rep 0.840(10) ...... 3.00 su-Rat
O3W -H3W1 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.85(4), Rep 0.840(10) ...... 4.00 su-Rat
O4W -H4W1 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.860(10) ...... 3.00 su-Rat
O5W -H5W1 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat
O5W -H5W2 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat
O6W -H6W1 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat
O6W -H6W2 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.86(3), Rep 0.860(10) ...... 3.00 su-Rat
O1W -H2# 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.840(10) ...... 3.00 su-Rat
O1W -H1# 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.84(3), Rep 0.840(10) ...... 3.00 su-Rat
O3W -H5# 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(4), Rep 0.840(10) ...... 4.00 su-Rat
O4W -H7# 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.860(10) ...... 3.00 su-Rat
O5W -H9# 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat
O5W -H10# 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat
O6W -H11# 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat
O6W -H12# 1.555 1.555
PLAT736_ALERT_1_C H...A Calc 1.91(3), Rep 1.900(10) ...... 3.00 su-Rat
H2# -O5 1.555 1.555
PLAT736_ALERT_1_C H...A Calc 2.08(3), Rep 2.080(10) ...... 3.00 su-Rat
H1# -O3W 1.555 1.555
PLAT736_ALERT_1_C H...A Calc 2.00(3), Rep 2.000(10) ...... 3.00 su-Rat
H5# -O9 1.555 1.556
PLAT736_ALERT_1_C H...A Calc 1.95(4), Rep 1.950(10) ...... 4.00 su-Rat
H10# -O1W 1.555 2.666
PLAT736_ALERT_1_C H...A Calc 1.91(3), Rep 1.910(10) ...... 3.00 su-Rat
H11# -O9 1.555 1.555
PLAT736_ALERT_1_C H...A Calc 1.97(4), Rep 1.970(10) ...... 4.00 su-Rat
H12# -O2W 1.555 1.554
0 ALERT level A = In general: serious problem
3 ALERT level B = Potentially serious problem
41 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
25 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
8 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
9 ALERT type 4 Improvement, methodology, query or suggestion
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