Table 1 Crystal data and structural refinement for 1 and 2.

Empirical Formula

C₂₂H₂₈N₆B₂F₈Ni

C₂₂H₂₅Cl₂N₆NiO₈

Formula Weight

608.83

634.11

Temperature (K)

296(2)

296(2)

Wavelength (Å)

0.71073

0.71073

Crystal System

triclinic

triclinic

Space Group

P-1

P-1

a (Å)

8.2720(3)

8.3309(3)

b (Å)

10.0320(3)

10.1513(3)

c (Å)

16.1128(5)

16.2660(5)

α (º)

86.663(1)

86.568(1)

β (º)

87.204(1)

86.593(1)

γ (º)

84.311(1)

83.398(1)

V (ų)

1327.03(7)

1362.12(8)

Z

2

2

ρ_calc (g/cm³)

1.524

1.546

µ (mm^− 1)

0.81

0.965

Reflns collected/unique

46,995/6601

37,998/6762

GOF on F²

1.017

1.049

R_int, R_sigma

0.078, 0.0457

0.0269, 0.0175

R₁, wR₂ [I > 2σ(I)]

0.0451, 0.0909

0.0501, 0.1446

R₁, wR₂ (all data)

0.0770, 0.1047

0.0561, 0.1512

Max./min. residual (e Å⁻³)

0.49/−0.29

0.89/−0.68

CCDC No.

2,130,820

2,130,819