E-3·CHCl₃^c

Z-3·CH₂Cl₂·3H₂O^c

Chemical formula

C₄₀H₃₈Cl₃N₃O₄P₂Ru

C₄₀H₄₅Cl₂N₃O₇P₂Ru

Formula wight

894.09

913.70

T (K)

150(2)

150(2)

Cryst syst

Triclinic

Triclinic

Space group

P-1

P-1

a (Å)

10.0598(4)

10.6381(3)

b (Å)

11.1706(5)

13.4634(5)

c (Å)

18.1664(8)

14.9736(5)

α (˚)

94.4290(10)

82.3056(12)

β (˚)

100.8570(10)

76.1364(11)

γ (˚)

95.5070(10)

77.9221(11)

V (ų)

1986.13(15)

2028.09(12)

Z

2

2

D_calc (Mg m⁻³)

1.495

1.496

μ (mm⁻¹)

0.722

0.650

Θrange for data collection (˚)

1.147 to 27.500

2.184 to 27.500

Limiting indices

−13 ≤ h ≤ 13

−14 ≤ k ≤ 142

−23 ≤ l ≤ 23

−13 ≤ h ≤ 13

−17 ≤ k ≤ 17

−19 ≤ l ≤ 19

Unique reflections

24,865

18,537

Reflections used [I > 2σ(I)]

9114

9315

R_int

0.0522

0.0165

Max. and min. transmission

0.765, 0.640

0.7456, 0.6934

GOF^a on F²

1.026

1.055

Final R indices [I > 2σ(I)]

^bR1 = 0.0495,

wR2 = 0.1147

R1 =0.0452,

wR2 = 0.1213

R indices (all data)

R1 = 0.0645

wR2 = 0.1228

R1 = 0.0498

wR2 = 0.1262