Empirical Formula

C6H4CrKO14Sr

Formula weight

478.81

Temperature (K)

100 (1)

Wavelength (Å)

0.71073

Crystal system

Orthorhombic

Space group

Fdd2

a (Å)

14.110 (4)

b (Å)

36.074 (11)

c (Å)

11.034(3)

α (˚)

90

β (˚)

90

γ (˚)

90

Volume (Å3)

5616 (3)

Z

16

Dcalc (g/cm3)

2.265

Absorption coefficient (mm−1)

4.944

F (000)

3728.0

Crystal size (mm)

0.281 × 0.085 × 0.038

2θ Range for data collection (˚)

2.258 ? 59.906

Index ranges

−19 ≤ h ≤ 19; −50 ≤ k ≤ 50; −15 ≤ l ≤ 15

Reflections collected

36173

Independent reflections (Rint; Rsigma)

4070 (0.0399; 0.0214)

Absorption correction

Semi-empirical

Max. and min. transmission

0.834 and 0.337

Refinement method

Full-matrix least squares on F2

Data/restraints/parameters

4070/7/235

Goodness-of-fit on F2

1.086

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

R1 = 0.0293, wR2 = 0.0720

R indices (all data)

R1 = 0.0300, wR2 = 0.0723

Largest diff. peak and hole (eÅ−3)

1.19 and −0.68

Flack parameter

0.001 (3)