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. 2014 Nov 18;47(Pt 6):2090–2099. doi: 10.1107/S1600576714022006

Table 1. Unit-cell lattice parameters determined by automatic mode for the diffraction pattern under the conditions discussed in Fig. 5 .

The values for and were held constant at 90 for all cases and are thus not listed. With the space group correctly identified, the deviation of unit-cell length c from its actual value changes from over 6 to less than 0.1. Values in italics indicate the difference from the value reported by Loo et al. (2010).

Unit cell a () b () c () ()
Loo et al. (2010) 12.9665 8.5663 14.3105 90.2706
(a) Orthorhombic 12.9273 8.5019 7.4413 90
difference 0.0392 0.0644 6.8692 0.2706
(b) Monoclinic 12.8449 8.4915 7.4339 90.0216
difference 0.1216 0.0748 6.8766 0.2490
(c) P21/c 12.9092 8.5252 14.3963 90.4946
difference 0.0573 0.0411 0.0858 0.2240