Crystal data

Complex 1

F₆FOS

Chemical formula

C₄₁H₂₆Co₂F₆O₄P₂

C₂₉H₂₀F₆P₂

Formula weight

876.46

544.41

Crystal system, space group

Triclinic, P-1 (#2)

Triclinic, P-1 (#2)

Temperature (K)

−113

−113

a, b, c (Å)

11.472 (2), 18.752 (3), 19.004 (3)

9.818 (2), 10.028 (2), 13.505 (4)

α, β, γ (˚)

68.083 (6), 84.063 (9), 81.256 (8)

80.307 (10), 82.954 (10), 73.805 (10)

V (ų)

3743.8 (11)

1254.6 (5)

Z

4

2

Radiation type

MoKα (I = 0.71070 Å)

MoKα (I = 0.71070 Å)

μ (mm⁻¹)

1.0438

0.2350

Crystal size (mm)

0.12 × 0.05 × 0.04

0.32 × 0.21 × 0.10

Data collection

Diffractometer

Rigaku Saturn CCD area detector

Rigaku Saturn CCD area detector

Absorption correction

Multi-scan (CrystalClear; Rigaku, 1999)

Multi-scan (CrystalClear; Rigaku, 1999)

T_min, T_max

0.855, 0.959

0.573, 0.977

No. of measured, independent and observed [I > 2σ (I)] reflections

27592, 15685, 8015

9167, 5304, 2742

R_int

0.059

0.078

(sinθ/λ)_max (Å⁻¹)

0.650

0.650

Refinement

R[F²> 2σ (F²)], wR (F²), S

0.0793, 0.1849, 1.004

0.0565, 0.1390, 1.033

No. of reflections

15685

5304

No. of parameters

1045

354

H-atom treatment

H atoms treated by a mixture of independent and constrained refinement

H-atom parameters constrained

_max, Δρ_min (e Å⁻³)

1.68, −0.68

0.48, 0.52