Table 1 Crystallographic Data for 1–3.

Empirical formula

C₃₄H₁₃Co₂N₄O₈

C₄₆H₅₂Co₄N₄O₁₆

C₃₄H₃₂Co₂N₄O₈

Formula weight

723.34

1152.63

742.49

Temperature (K)

296(2)

296(2)

296(2)

Wavelength (Å)

0.71073 Å

0.71073 Å

0.71073 Å

Space group

P 2₁/n

P 2₁/n

P -1

a (Å)

9.1670(3)

10.5398(3)

10.5529(3)

b (Å)

27.1849(8)

28.1874(7)

13.0494(3)

c (Å)

13.5929(4)

16.7751(4)

13.7009(3)

α (°)

90.00

90.00

69.9765(15)

β (°)

95.6332(16)

106.4395(12)

67.3583(14)

γ (°)

90.00

90.00

80.2724(16)

Volume (ų)

3371.05(18)

4780.0(2)

1634.57(7)

Z

4

4

2

Density (calc.) (mg/m³)

1.425

1.602

1.509

Absorption coeff. (mm⁻¹)

1.039

1.439

1.073

Crystal size (mm)

0.08 × 0.14 × 0.34

0.05 × 0.10 × 0.18

0.02 × 0.05 × 0.14

Reflections collected

91224

86389

56080

Independent reflections

5828 [R(int) = 0.0387]

11918 [R(int) = 0.0755]

8111 [R(int) = 0.0952]

Data/restraints/parameters

5828/120/529

11918/0/631

8111/0/433

Goodness-of-fit on F²

1.061

1.000

1.014

Final R indices [I > 2σ(I)]

R₁ = 0.0757, wR₂ = 0.1903

R₁ = 0.0516, wR₂ = 0.1139

R₁ = 0.0465, wR₂ = 0.0896

R indices (all data)

R₁ = 0.0829, wR₂ = 0.1972

R₁ = 0.0925, wR₂ = 0.1277

R₁ = 0.1049, wR₂ = 0.1078

Largest diff. peak and hole (e.Å⁻³)

1.542 and −1.442

0.910 and −0.479

0.359 and −0.315

CCDC number

1561941

1561902

1561903