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. Author manuscript; available in PMC: 2015 Jan 11.
Published in final edited form as: Dalton Trans. 2007 Apr 16;(21):2150–2162. doi: 10.1039/b702938a

Table 6.

X-Ray data collection and refinement details

Complex [Cu–2]2·3NaClO4·CH3OH [Cu–H2]ClO4·CH3OH [Cu–H22](ClO4)2·2H2O [Cu–4]·NaClO4·3H2O
Formula C37H68Cl3Cu2N8Na3O21 C19H37ClCuN4O9 C18H38Cl2CuN4O14 C16H34ClCuN4NaO11
Formula weight 1263.41 564.52 668.96 580.45
Temperature/K 213(2) 213(2) 213(2) 218(2)
Wavelength/Å 0.71073 0.71073 0.71073 0.71073
Crystal system Orthorhombic Orthorhombic Monoclinic Triclinic
Space group Pna2(1) Pca2(1) P2(1)/n P1
a/ Å 15.6342(17) 27.6657(19) 8.7623(5) 8.0242(5)
b/ Å 34.587(4) 7.9539(6) 17.9633(10) 9.3141(6)
c/ Å 9.4238(10) 10.7296(7) 17.2184(10) 5.3597(10)
α/ ° 90.00 90.00 90.00 96.6070(10)
β/ ° 90.00 90.00 93.2180(10) 97.3590(10)
γ/ ° 90.00 90.00 90.00 92.5420(10)
Volume/Å3 5095.9(10) 2361.1(3) 2705.9(3) 1128.90(13)
μ/mm−1 1.103 1.096 1.079 1.172
Z 4 4 4 2
Refl. collected 10941 15470 18531 8321
Ind. refl. [Rint] 9862 4095 5315 4894
R1,wR2[I > 2σ(I)] 0.0538, 0.1291 0.0246, 0.0605 0.0404, 0.1005 0.0372, 0.1000
R1,wR2(all data) 0.0612, 0.1355 0.0261, 0.0614 0.0521, 0.1075 0.0358, 0.1011
Goodness of fit 1.070 1.028 1.027 1.054