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. 2016 Apr 5;72(Pt 5):628–631. doi: 10.1107/S2056989016005375
Na—O5i 2.2524 (16) C1—H1 0.91 (3)
Na—O13ii 2.2661 (16) C2—O2 1.417 (2)
Na—O12iii 2.3728 (15) C2—C3 1.530 (2)
Na—O1 2.3791 (16) C2—H2 0.93 (3)
Na—O2 2.3800 (15) C3—O3 1.4136 (19)
Na—O11 2.5265 (16) C3—C4 1.523 (2)
Na—C1 3.0515 (19) C3—H3 0.94 (3)
Na—S1 3.3114 (10) C4—O4 1.417 (2)
Na—S1ii 3.3864 (9) C4—C5 1.512 (2)
Na—S1iii 3.3866 (10) C4—H4 0.98 (3)
S1—O12 1.4435 (14) C5—O5 1.415 (2)
S1—O13 1.4496 (13) C5—H5A 0.97 (3)
S1—O11 1.4562 (13) C5—H5B 0.97 (4)
S1—C1 1.8034 (17) O1—H1O 0.74 (4)
S1—Naiv 3.3865 (9) O2—H2O 0.88 (4)
S1—Nav 3.3866 (10) O3—H3O 0.87 (3)
O12—Nav 2.3728 (15) O4—H4O 0.86 (4)
O13—Naiv 2.2661 (16) O5—Navi 2.2524 (16)
C1—O1 1.406 (2) O5—H5O 0.80 (5)
C1—C2 1.523 (2)
O5i—Na—O13ii 96.36 (6) O11—S1—Naiv 141.71 (5)
O5i—Na—O12iii 105.63 (6) C1—S1—Naiv 90.25 (6)
O13ii—Na—O12iii 93.66 (6) Na—S1—Naiv 121.70 (3)
O5i—Na—O1 101.70 (6) O12—S1—Nav 35.88 (6)
O13ii—Na—O1 161.60 (6) O13—S1—Nav 96.24 (6)
O12iii—Na—O1 78.19 (5) O11—S1—Nav 94.58 (6)
O5i—Na—O2 161.20 (6) C1—S1—Nav 141.61 (6)
O13ii—Na—O2 92.49 (6) Na—S1—Nav 140.21 (3)
O12iii—Na—O2 90.27 (5) Naiv—S1—Nav 91.60 (2)
O1—Na—O2 71.30 (5) S1—O11—Na 109.54 (7)
O5i—Na—O11 91.52 (6) S1—O12—Nav 123.24 (8)
O13ii—Na—O11 107.60 (5) S1—O13—Naiv 130.10 (9)
O12iii—Na—O11 151.12 (6) O1—C1—C2 108.62 (13)
O1—Na—O11 75.63 (5) O1—C1—S1 107.39 (11)
O2—Na—O11 69.96 (5) C2—C1—S1 112.68 (11)
O5i—Na—C1 115.69 (6) O1—C1—Na 49.01 (8)
O13ii—Na—C1 142.37 (6) C2—C1—Na 81.73 (9)
O12iii—Na—C1 95.93 (5) S1—C1—Na 81.65 (6)
O1—Na—C1 26.49 (4) O1—C1—H1 113.8 (17)
O2—Na—C1 51.26 (5) C2—C1—H1 110.4 (17)
O11—Na—C1 55.35 (5) S1—C1—H1 104.0 (16)
O5i—Na—S1 96.73 (5) Na—C1—H1 162.5 (17)
O13ii—Na—S1 130.25 (5) O2—C2—C1 111.14 (13)
O12iii—Na—S1 127.92 (5) O2—C2—C3 105.16 (13)
O1—Na—S1 51.16 (3) C1—C2—C3 111.34 (13)
O2—Na—S1 65.10 (4) O2—C2—H2 113.6 (17)
O11—Na—S1 24.48 (3) C1—C2—H2 109.9 (17)
C1—Na—S1 32.60 (3) C3—C2—H2 105.4 (16)
O5i—Na—S1ii 115.37 (5) O3—C3—C4 112.49 (13)
O13ii—Na—S1ii 19.11 (4) O3—C3—C2 109.19 (13)
O12iii—Na—S1ii 89.97 (4) C4—C3—C2 109.33 (13)
O1—Na—S1ii 142.89 (4) O3—C3—H3 110.7 (18)
O2—Na—S1ii 73.74 (4) C4—C3—H3 109.1 (17)
O11—Na—S1ii 103.67 (4) C2—C3—H3 105.7 (17)
C1—Na—S1ii 124.58 (4) O4—C4—C5 112.34 (15)
S1—Na—S1ii 121.70 (3) O4—C4—C3 110.35 (14)
O5i—Na—S1iii 86.16 (5) C5—C4—C3 112.70 (14)
O13ii—Na—S1iii 88.41 (4) O4—C4—H4 106.7 (16)
O12iii—Na—S1iii 20.89 (4) C5—C4—H4 105.9 (15)
O1—Na—S1iii 89.30 (4) C3—C4—H4 108.5 (16)
O2—Na—S1iii 110.71 (4) O5—C5—C4 111.02 (15)
O11—Na—S1iii 163.98 (4) O5—C5—H5A 112.1 (17)
C1—Na—S1iii 111.76 (4) C4—C5—H5A 108.1 (17)
S1—Na—S1iii 140.21 (3) O5—C5—H5B 109 (2)
S1ii—Na—S1iii 91.60 (2) C4—C5—H5B 110.9 (19)
O12—S1—O13 114.87 (9) H5A—C5—H5B 106 (3)
O12—S1—O11 112.80 (8) C1—O1—Na 104.51 (10)
O13—S1—O11 110.92 (8) C1—O1—H1O 112 (3)
O12—S1—C1 105.74 (8) Na—O1—H1O 114 (3)
O13—S1—C1 104.52 (8) C2—O2—Na 112.86 (10)
O11—S1—C1 107.22 (7) C2—O2—H2O 109 (2)
O12—S1—Na 142.43 (6) Na—O2—H2O 108 (2)
O13—S1—Na 102.56 (6) C3—O3—H3O 108 (2)
O11—S1—Na 45.97 (6) C4—O4—H4O 111 (3)
C1—S1—Na 65.75 (6) C5—O5—Navi 134.32 (12)
O12—S1—Naiv 93.81 (6) C5—O5—H5O 108 (3)
O13—S1—Naiv 30.79 (6) Navi—O5—H5O 118 (3)
O12—S1—O11—Na −142.14 (7) O12—S1—C1—Na 140.92 (7)
O13—S1—O11—Na 87.39 (8) O13—S1—C1—Na −97.46 (7)
C1—S1—O11—Na −26.15 (9) O11—S1—C1—Na 20.34 (7)
Naiv—S1—O11—Na 87.43 (9) Naiv—S1—C1—Na −125.05 (4)
Nav—S1—O11—Na −174.14 (5) Nav—S1—C1—Na 142.05 (6)
O13—S1—O12—Nav 64.12 (12) O1—C1—C2—O2 −55.53 (17)
O11—S1—O12—Nav −64.32 (11) S1—C1—C2—O2 63.32 (15)
C1—S1—O12—Nav 178.80 (9) Na—C1—C2—O2 −13.98 (11)
Na—S1—O12—Nav −110.68 (9) O1—C1—C2—C3 61.35 (16)
Naiv—S1—O12—Nav 87.47 (9) S1—C1—C2—C3 −179.80 (11)
O12—S1—O13—Naiv 50.59 (13) Na—C1—C2—C3 102.90 (12)
O11—S1—O13—Naiv 179.96 (9) O2—C2—C3—O3 175.85 (13)
C1—S1—O13—Naiv −64.81 (12) C1—C2—C3—O3 55.39 (16)
Na—S1—O13—Naiv −132.66 (9) O2—C2—C3—C4 −60.69 (16)
Nav—S1—O13—Naiv 82.62 (10) C1—C2—C3—C4 178.85 (14)
O12—S1—C1—O1 −176.87 (11) O3—C3—C4—O4 58.72 (17)
O13—S1—C1—O1 −55.25 (13) C2—C3—C4—O4 −62.77 (18)
O11—S1—C1—O1 62.54 (12) O3—C3—C4—C5 −67.77 (18)
Na—S1—C1—O1 42.21 (9) C2—C3—C4—C5 170.74 (14)
Naiv—S1—C1—O1 −82.85 (10) O4—C4—C5—O5 66.8 (2)
Nav—S1—C1—O1 −175.75 (7) C3—C4—C5—O5 −167.74 (14)
O12—S1—C1—C2 63.56 (13) C2—C1—O1—Na 60.41 (13)
O13—S1—C1—C2 −174.82 (12) S1—C1—O1—Na −61.72 (10)
O11—S1—C1—C2 −57.02 (13) C1—C2—O2—Na 19.43 (15)
Na—S1—C1—C2 −77.36 (11) C3—C2—O2—Na −101.16 (12)
Naiv—S1—C1—C2 157.59 (11) C4—C5—O5—Navi −108.80 (17)
Nav—S1—C1—C2 64.69 (15)