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. Author manuscript; available in PMC: 2014 Oct 1.
Published in final edited form as: J Biol Inorg Chem. 2013 Jul 24;18(7):779–790. doi: 10.1007/s00775-013-1024-2

Table 1.

Crystal, intensity collection and refinement data

[RuII(η6-p-cymene)Cl2(KTZ)] (3)
Lattice Monoclinic
Formula C37 H44 Cl6 N4 O4 Ru
Formula weight 922.53
Space group P21/c
a / Å 13.3597(6)
b / Å 24.4419(12)
c / Å 12.9754(6)
α / ° 90.00
β / ° 109.3120(10)
γ / ° 90.00
V / Å3 3998.5(3)
Z 4
Temperature (K) 125(2)
Radiation (λ, Å) 0.71073
ρ (cald.) Mg/m3 1.532
Absn. Coeff. / mm−1 0.837
F(000) 1888
Crystal size / mm 0.19 × 0.14 × 0.03
θ range, deg. 2.35 to 29.1°
Reflections collected 63473
Indep. reflections 12207 (Rint = 0.0951)
R1 [I/ > 2σ(I)] 0.0676
w R 2 0.1625
R1 (all data) 0.1237
wR2 (all data) 0.1820
GOF 1.010