Empirical formula

C24 H28 Co N10 O12

Formula weight

707.49

Temperature

100(2) K

Wavelength

1.54178 Å

Crystal system

Monoclinic

Space group

P2(1)/n

Unit cell dimensions

a = 7.2108(4) Å

α = 90˚.

b = 16.6020(9) Å

β = 103.972(4)˚.

c = 13.0389(6) Å

γ = 90˚.

Volume

1514.75(14) Å

Z

2

Density (calculated)

1.551 Mg/m3

Absorption coefficient

5.143 mm−1

F(000)

730

Crystal size

0.21 × 0.19 × 0.06 mm3

Theta range for data collection

4.39˚ to 72.32˚

Index ranges

−8 ≤ h ≤ 8, −20 ≤ k ≤ 19, −16 ≤ l ≤ 14

Reflections collected

8289

Independent reflections

2855 [R(int) = 0.0363]

Completeness to theta = 67.00˚

97.0%

Absorption correction

Semi-empirical from equivalents

Max. and min. transmission

0.7478 and 0.570574

Refinement method

Full-matrix least-squares on F2

Data/restraints/parameters

2855/0/234

Goodness-of-fit on F2

1.115

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

R1 = 0.0406, wR2 = 0.0870

R indices (all data)

R1 = 0.0465, wR2 = 0.0891

Largest diff. peak and hole

0.327 and −0.279 e·Å−3