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. Author manuscript; available in PMC: 2013 Mar 14.
Published in final edited form as: Dalton Trans. 2012 Jan 26;41(10):3046–3052. doi: 10.1039/c2dt11811d

Table 1.

Crystal data and structure refinement for molecular rectangle 5.

Empirical formula C36.50 H37.50 F12 N2.50 O5 P2 Ru2
Formula weight 1083.27
Temperature 100(2) K
Wavelength 0.90000 Å
Crystal system Monoclinic
Space group P21/n
Unit cell dimensions a = 8.630(2) Å α = 90°
b = 35.969(7) Å β = 97.55(3)°
c = 13.430(3) Å γ = 90°
Volume 4132.7(14) Å3
Z 4
Dcalculated 1.741 g/cm3
Abs. coefficient 1.697 mm−1
Goodness-of-fit on F2 1.023
Final R indices [I>2sigma(I)] R1 = 0.0550, wR2 = 0.1557
R indices (all data) R1 = 0.0679, wR2 = 0. 1656
Largest diff. peak and hole 1.040 and −1.025 e.Å−3