CCDC N˚

1,988,875

Empirical formula

C9H24NCrO14

Formula weight

422.29

Temperature (K)

100 (1)

Wavelength (Å)

0.71073

Crystal system

Orthorhombic

Space group

Cmc21

a (Å)

7.4329 (3)

b (Å)

9.9356 (5)

c (Å)

23.6756 (1)

α (˚)

90.0

β (˚)

90.0

γ (˚)

90.0

Volume 3)

1748.5 (1)

Z, Z’

4, 1/2

Absorption coefficient (mm−1)

0.726

F(000)

884

Crystal size (mm)

0.21 × 0.17 × 0.15

Theta range for data collection (˚)

3.4 - 37.7

Index ranges

−12 < h < 12, −16 < k < 17, −39 < l < 40

Total reflections

25774

Unique reflections (Rint)

4831(0.025)

Refinement method

Full-matrix least squares on F2

Data/restraints/parameters

4831/2/153

Goodness-of-fit (GOF) on F2

1.06

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

R1 = 0.0220, wR2 = 0.0571

R indices (all data)

R1 = 0.0228, wR2 = 0.0578

max and Dρmin (e/Å3)

0.31 and −0.81

Flack parameter

0.00 (4)