1∙2H₂O

Empirical formula

C₃₀H₃₀CoN₄O₈S₂

Formula weight

697.63

Temperature (K)

100 (2)

Wavelength (Å)

0.71073

Crystal system

Orthorhombic

Space group

Pbca

Unit cell dimensions

a = 4.9828 (3) Å, b = 21.6367 (12) Å,

c = 27.5969 (15) Å, α = β = γ = 90˚

Volume, Z

2975.3(3) Å3

Calculated density (Kg/m³)

1.557

Crystal size (mm³)

0.120 x 0.080 x 0.040

Goodness-of-fit on F2

1.055

Reflections collected

52135

Independent reflection

5308 [R(int) = 0.0718]

R indices (all data)

R1 = 0.0725, wR2 = 0.1006