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. 2015 Nov 4;71(Pt 12):1436–1438. doi: 10.1107/S2056989015020010

Table 2. Experimental details.

Crystal data
Chemical formula [Fe(PO4)(N2H4)]
M r 182.87
Crystal system, space group Orthorhombic, P c c n
Temperature (K) 293
a, b, c (Å) 6.3114 (13), 7.6680 (15), 8.6485 (18)
V3) 418.55 (15)
Z 4
Radiation type Mo Kα
μ (mm−1) 3.89
Crystal size (mm) 0.05 × 0.03 × 0.03
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2013)
T min, T max 0.668, 0.746
No. of measured, independent and observed [I > 3σ(I)] reflections 13820, 601, 457
R int 0.065
(sin θ/λ)max−1) 0.717
 
Refinement
R[F 2 > 3σ(F 2)], wR(F 2), S 0.020, 0.027, 1.46
No. of reflections 601
No. of parameters 47
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.40, −0.33

Computer programs: APEX2and SAINT (Bruker, 2013), SUPERFLIP (Palatinus & Chapuis, 2007), JANA2006 (Petříček et al., 2014) and DIAMOND (Brandenburg & Putz, 2010).