晶体参数

晶体数据

Empirical formula

C₂₂H₂₆N₂O₈Sn

Formula weight

565.14

Temperature

273(2) K

Wavelength

0.71073 Å

Crystal system, Space group

Monoclinic, Cc

Unit cell dimensions

a = 15.604(5) Å, alpha = 90˚

b = 7.007(2) Å, b = 103.599(5)˚

c = 22.816(7) Å, g = 90˚

Volume

2424.7(13) ų

Z, Calculated density

4, 1.548 Mg/m³

Absorption coefficient

1.102 mm⁻¹

F(000)

1144

Crystal size

0.15 ´ 0.10 ´ 0.06 mm

Theta range for data collection

1.84˚~25.05˚

Limiting indices

−18 ≤ h ≤ 16, −7 ≤ k ≤ 8, −19 ≤ l ≤ 27

Total/Independent reflections

6069/2149 [R(int) = 0.0219]

Completeness to theta = 25.02

99.9%

Absorption correction

None

Max. and min. transmission

0.9368 and 0.8522

Refinement method

Full-matrix least-squares on F3

Data/restraints/parameters

2149/162/152

Goodness-of-fit

1.058

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

R1 = 0.0373, wR2 = 0.0964

R indices (all data)

R1 = 0.0419, wR2 = 0.1006

Largest diff. Peak and hole

0.781 and −0.588 e.ų