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. 2016 Mar 8;72(Pt 4):470–476. doi: 10.1107/S2056989016003662

Table 4. Experimental details.

Crystal data
Chemical formula [Co(N3)2(C10H9N3)2]2SO4·2H2O
M r 1102.88
Crystal system, space group Monoclinic, C2/c
Temperature (K) 293
a, b, c (Å) 19.9014 (4), 8.7044 (2), 27.1181 (5)
β (°) 90.753 (1)
V3) 4697.25 (17)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.83
Crystal size (mm) 0.26 × 0.17 × 0.09
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2009)
T min, T max 0.808, 0.875
No. of measured, independent and observed [I > 2σ(I)] reflections 50250, 6893, 3940
R int 0.096
(sin θ/λ)max−1) 0.705
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.043, 0.094, 0.90
No. of reflections 6893
No. of parameters 331
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.49, −0.52

Computer programs: APEX2 and SAINT (Bruker, 2009), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015) and X-SEED (Barbour, 2001).