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. 2018 Jul 10;74(Pt 8):1075–1078. doi: 10.1107/S2056989018009611

Table 3. Experimental details.

Crystal data
Chemical formula [Mn(C2H3O2)(C18H18N4)(CH4O)](C24H20B)
M r 755.60
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 173
a, b, c (Å) 11.3885 (8), 11.7598 (7), 15.6703 (10)
α, β, γ (°) 82.041 (5), 70.671 (6), 85.870 (5)
V3) 1960.5 (2)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.38
Crystal size (mm) 0.44 × 0.38 × 0.26
 
Data collection
Diffractometer Rigaku Oxford Diffraction
Absorption correction Multi-scan (CrysAlis PRO; Agilent, 2014)
T min, T max 0.836, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 24707, 12901, 9324
R int 0.029
(sin θ/λ)max−1) 0.763
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.047, 0.122, 1.03
No. of reflections 12901
No. of parameters 492
No. of restraints 3
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.36, −0.30

Computer programs: CrysAlis PRO (Agilent, 2014), SHELXT (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ) and OLEX2 (Dolomanov et al., 2009).