| empirical formula |
C14H14O10S2Zn2
|
| formula weight |
537.11 |
| temperature/K |
100(2) |
| crystal system |
monoclinic |
| space group |
Cc |
|
a/Å |
10.44615(15) |
|
b/Å |
15.5309(2) |
|
c/Å |
11.69200(18) |
| α/° |
90 |
| β/° |
93.0473(14) |
| γ/° |
90 |
| volume/Å3
|
1894.21(5) |
| Z |
4 |
| ρcalc g/cm3
|
1.883 |
| μ/mm–1
|
2.804 |
|
F(000) |
1080.0 |
| crystal size/mm3
|
0.20 ×
0.11 × 0.09 |
| radiation |
MoKα (λ = 0.71073 Å) |
| 2Θ
range for data collection/° |
4.704 to 52.724 |
| index ranges |
–13 ≤ h ≤ 13, −19
≤ k ≤ 19, −14 ≤ l ≤ 14 |
| reflections collected |
38929 |
| independent reflections |
3869 [Rint = 0.0490, Rsigma = 0.0251] |
| data/restraints/parameters |
3869/26/257 |
| goodness-of-fit on F2
|
1.053 |
| final R indexes [I ≥2σ
(I)] |
R1 = 0.0236, wR2 = 0.0584 |
| final R indexes [all data] |
R1 = 0.0241, wR2 =
0.0588 |
| largest diff. peak/hole/e Å–3
|
0.86/–0.69 |
| flack parameter |
–0.007(5) |