Moiety formula

Empirical formula

Formula weight

Temperature

Wavelength

Crystal system

Space group

Unit cell dimensions

Volume

Z

Density (calculated)

Absorption coefficient

F(000)

Crystal size

Theta range for data collection

Index ranges

Reflections collected

Independent reflections

Completeness to theta = 67.00˚

Absorption correction

Max. and min. transmission

Refinement method

Data/restraints/parameters

Goodness-of-fit on F²

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

R indices (all data)

Largest diff. peak and hole

C₂₄H₂₈N_8/O₆Zn’2(NO₃)·2H₂O

C₂₄H₃₂N₁₀ O₁₄Zn

749.99

100(2) K

1.54178 Å

Triclinic

P-1

a = 7.1352(2) Å α = 82.2320(10)˚.

b = 10.0806(3) Å β = 78.3580(10)˚.

c = 11.3575(3) Å γ = 77.7330(10)˚.

778.20(4) ų

1

1.6 g/cm³

1.857 mm⁻¹

388

0.21 × 0.09 × 0.03 mm³

3.99 to 72.07˚.

−8 ≤ h ≤ 8, −12 ≤ k ≤ 12, −13 ≤ l ≤14

8067

2962 [R(int) = 0.0199]

97.4%

Semi-empirical from equivalents

0.9464 and 0.761667

Full-matrix least-squares on F²

2962/0/251

1.037

R1 = 0.0279, wR2 = 0.0725

R1 = 0.0303, wR2 = 0.0740

0.43 and −0.22 e.Å⁻³