Table 2. Comparison of the positions of anomalous sites found by SHELXD and the refined positions of P atoms.

The occupancies and B factors (in Ų) are given for the refined P-atom sites and the relative occupancies are given for anomalous scatterer sites estimated by SHELXD. The distances (in Å) between the positions of the P atoms and the anomalous sites are also listed, as well as the distances between two P-atom sites in disordered, alternative conformations. SHELXD peaks Q12, Q15 and those following Q15 correspond to noise.

Atom	Occupancy	B factor	Anomalous peak	Peak height	Distance Q—P	Distance Pa—Pb
P2	1.00	8.14	Q1	1.00	0.21
P3a	0.77	8.51	Q6	0.52	0.39	1.57
P3b	0.23	9.80	Q6	0.52	1.28	1.57
P4	1.00	12.63	Q4	0.74	0.18
P5a	0.65	13.63	Q11	0.38	0.40	2.49
P5b	0.35	15.71	Q14	0.33	0.38	2.49
P6	1.00	15.88	Q9	0.49	0.08
P7	1.00	8.89	Q2	0.81	0.16
P8a	0.65	8.39	Q3	0.78	0.23	0.57
P8b	0.35	9.81	Q3	0.78	0.35	0.57
P9a	0.26	8.51	Q7	0.51	1.20	1.46
P9b	0.74	11.39	Q7	0.51	0.38	1.46
P10	1.00	15.10	Q8	0.49	0.29
P11a	0.39	8.41	Q13	0.34	0.30	1.57
P11b	0.61	12.15	Q10	0.41	0.65	1.57
P12a	0.62	9.26	Q5	0.53	0.50	0.84
P12b	0.38	8.86	Q5	0.53	0.39	0.84