Chemical formula

FeCl4(C5N2H6)(C5N2H5)

Formula weight (g∙mol1)

455.78

Temperature (K)

298

Crystal system; Space group

Monoclinic; P21/c

a (Å); b (Å); c (Å); β (˚)

7.598 (3); 13.694 (4); 17.105 (5)E:\vss\word_html\Word_xml\bin\Debug\docTempWords\zid5b _cell_length_c; 97.203 (6)

Volume (Å3); Z

1765.7 (10); 4

Sample size (mm)

0.42 × 0.28 × 0.21

Radiation, λ, (Å)

λ = 0.71073

μ (mm1)

1.76

F000

908

θ Range (˚)

2.4 ≤ θ ≤ 27.2

Scan mode

ω-2θ

Absorption correction

psi-scan

Tmin, Tmax

0.694, 0.999

Number of reflections measured;

Independent reflections; Rint

4747

3806; 0.038

Reflections with [I > 2σ (I)]

1934

R (F2); ωR (F2); S (GOOF)

0.051; 0.140; 0.98

Δρmax, Δρmin (e Å−3)

0.50; −0.34