CCDC N˚

1981174

Empirical formula

C10H20CrNO10

Formula weight

366.27

Temperature (K)

293 (2)

Wavelength (Å)

0.71073

Crystal system

Orthorhombic

Space group

Pbcn

Unit cell dimensions

a = 11.1776 (10) (Å)

b = 7.6105 (10) (Å)

c = 17.5654 (2) (Å)

α = 90.0˚

β = 90.0˚

γ = 90.0˚

Volume (Å3)

1494.24 (3)

Z, Z

4, 1/2

Density (calculated) mg/m3

1.628

Absorption coefficient (mm−1)

0.817

F(000)

764

Crystal size (mm3)

0.172 × 0.144 × 0.055

Theta range for data collection (˚)

2.319 - 28.714

Index ranges

−15 ≤ h ≤ 15, −9 ≤ k ≤ 10, −23 ≤ l ≤ 23

Reflections collected

26,559

Independent reflections

1936 (R(int) = 0.029)

Completness to theta = 25.242˚

100.0%

Refinement method

Full-matrix least squares on F2

Data/restraints/parameters

1936/3/151

Goodness-of-fit on F2

1.100

Final R indices [I > 2 sigma(I)]

R1 = 0.0275, wR2 = 0.0810

R indices (all data)

R1 = 0325, wR2 = 0.0862

Extinction coefficient

0.0059 (8)

Largest diff. peak and hole (e/Å3)

0.386 and −0.487