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. 2020 Oct 30;76(Pt 11):1794–1798. doi: 10.1107/S205698902001419X

Table 2. Experimental details.

Crystal data
Chemical formula (C10H10N3)2[Ni(CN)4]
M r 507.21
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 273
a, b, c (Å) 7.1046 (4), 9.1467 (4), 9.3833 (4)
α, β, γ (°) 100.182 (2), 98.729 (2), 97.444 (2)
V3) 585.49 (5)
Z 1
Radiation type Mo Kα
μ (mm−1) 0.86
Crystal size (mm) 0.35 × 0.23 × 0.19
 
Data collection
Diffractometer Oxford Diffraction Xcalibur with Sapphire CCD detector
Absorption correction Multi-scan (CrysAlis RED; Oxford Diffraction, 2009)
T min, T max 0.914, 0.962
No. of measured, independent and observed [I > 2σ(I)] reflections 16272, 3572, 2659
R int 0.052
(sin θ/λ)max−1) 0.715
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.048, 0.134, 1.07
No. of reflections 3572
No. of parameters 161
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.01, −0.34

Computer programs: CrysAlis CCD and CrysAlis RED (Oxford Diffraction, 2009), SHELXS97 (Sheldrick, 2015a ), SHELXL2014/7 (Sheldrick, 2015b ), DIAMOND (Brandenburg, 2006) and publCIF (Westrip, 2010).