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Acta Cryst. (2006). E62, m3570-m3572 [ doi:10.1107/S1600536806050586 ]
![[mu]](/logos/entities/mu_rmgif.gif)
-4,4'-Bipyridine-![[kappa]](/logos/entities/kappa_rmgif.gif)
2N:N'-bis{[N-(2-aminoethyl)-1,3-propyldiamine-3N,N',N'']aquacopper(II)} tetrakis(perchlorate)
Online 30 November 2006
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(C-C) = 0.009 Å
- Disorder in solvent or counterion
- R factor = 0.061
- wR factor = 0.160
- Data-to-parameter ratio = 11.0
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.97
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ?
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C1
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C2
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C8
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Cu1
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl2
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl1
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.64
PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 41.00 Perc.
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9
PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C6 - C7 ... 1.43 Ang.
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 9
N4 -CU1 -N2 -C6 97.10 1.60 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 21
N2 -CU1 -N4 -C10 -50.80 1.80 1.555 1.555 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 1.407(5), Rep 1.408(2) ...... 2.50 su-Ra
CL1 -O2 1.555 1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 40.10 Deg.
O4 -CL1 -O4' 1.555 1.555 1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 18.10 Deg.
O5 -CL1 -O5' 1.555 1.555 1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 36.50 Deg.
O3 -CL1 -O3' 1.555 1.555 1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 29.30 Deg.
O9 -CL2 -O8' 1.555 1.555 1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 39.60 Deg.
O7 -CL2 -O7' 1.555 1.555 1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 38.10 Deg.
O8 -CL2 -O9' 1.555 1.555 1.555
Alert level G
FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the
_chemical_formula_sum and _chemical_formula_moiety. This is
usually due to the moiety formula being in the wrong format.
Atom count from _chemical_formula_sum: C20 H42 Cl4 Cu2 N8 O18
Atom count from _chemical_formula_moiety:C20 H42 Cl8 Cu2 N8 O34
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
24 ALERT level C = Check and explain
3 ALERT level G = General alerts; check
5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
14 ALERT type 2 Indicator that the structure model may be wrong or deficient
1 ALERT type 3 Indicator that the structure quality may be low
7 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
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