Crystal data

Chemical formula

Ba0.5Ag2[Cr(C2O4)3]・5H2O

Mr

690.55

Crystal system, space group

Monoclinic, C2/c

Temperature (K)

293(2)

a, b, c (Å)

18.179(3), 14.743(2), 12.278(2)

β (˚)

113.821(3)

V(Å3)

3010.34(90)

Z

8

Dcalc (Mg/m3)

2.979

Radiation type

MoKα

μ (mm−1)

4.38

F(000)

2468

Crystal size (mm)

0.20 × 0.18 × 0.12

Data collection and refinement

Diffractometer

Bruker AXS SMART Xcalibur 3 diffractometer

Absorption correction

Multi-scan with SADABS

θ Range for data collection (˚)

1.84 - 28.40

Index ranges

−23 < h < 23, −19 < k < 17, −16 < l < 16

Reflections collected

15502

Independent reflections (Rint)

4870 (0.0532)

Completeness to θ = 28.40˚ (%)

98.9

Max. and min. transmission

0.661 and 0.472

Refinement method

Full-matrix least squares on F2

Data/restraints/parameters

4870/1/247

Goodness-of-fit on F2

1.012

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

R1 = 0.0433, wR2 = 0.0901

R indices (all data)

R1 = 0.0532, wR2 = 0.0976

Largest diff. peak and hole (eÅ−3)

2.499 and −1.879