CCDC N˚

CCDC-839359

Empirical formula

C10H28CoN16O14

Formula weight

655.42

Temperature (K)

296 (2)

Wavelength (Å)

0.71073

Crystal system

triclinic

Space group

P-1

Unit cell dimensions

a (Å)

9.46 (4)

b (Å)

11.84 (5)

c (Å)

12.81 (5)

α (˚)

104.94 (6)

β (˚)

99.29 (5)

γ (˚)

106.73 (5)

Volume (Å3)

1284 (9)

Z

2

Density (calculated, g∙cm−3)

1.696

Absorption coefficient (mm−1)

0.765

F(000)

678

Crystal size (mm)

0.50 × 0.12 × 0.10

Theta range for data collection (˚)

1.70 - 25.00

Limiting indices

−11 ≤ h ≤ 11

−14 ≤ k ≤ 8

−15 ≤ l ≤ 15

Reflections collected

6152

Independent reflections

4429 [R(int) = 0.1281]

Absorption correction

Semi-empirical from equivalents

Refinement method

Full-matrix least-squares on F2

Data/restraints/parameters

4429/0/379

Goodness-of-fit on F2

1.008

Final R indices [I > 2σ(I)]

R1 = 0.0324, wR2 = 0.0657

R indices (all data)

R1 = 0.0379, wR2 = 0.0685

Largest difference peak and hole (eÅ−3)

4.812 and −3.307

Extinction coefficient

0.000 (9)

Completeness to θ = 25.00, %

97.9