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. 2013 Jul 24;69(Pt 8):m469–m470. doi: 10.1107/S1600536813019739
C1—N1 1.154 (4) O2'—C7' 1.410 (10)
C1—S1 1.618 (4) O3'—C10' 1.405 (10)
C2—N2 1.136 (7) O3'—C9' 1.410 (10)
C2—S2A 1.631 (9) O4'—C12' 1.403 (9)
C2—S2 1.632 (10) O4'—C11' 1.414 (10)
C3—N3 1.058 (8) O5'—C14' 1.403 (10)
C3—S3i 1.695 (10) O5'—C13' 1.409 (10)
C3—S3 1.695 (10) O6'—C15' 1.406 (10)
C3—S3A 1.714 (12) O6'—C4' 1.409 (10)
O1—C6 1.393 (9) C4'—C5' 1.497 (10)
O1—C5 1.394 (8) C4'—H4'1 0.9700
O2—C7 1.411 (8) C4'—H4'2 0.9700
O2—C8 1.420 (8) C5'—H5'1 0.9700
O3—C9 1.406 (8) C5'—H5'2 0.9700
O3—C10 1.410 (8) C6'—C7' 1.501 (10)
O4—C11 1.398 (7) C6'—H6'1 0.9700
O4—C12 1.411 (9) C6'—H6'2 0.9700
O5—C13 1.402 (8) C7'—H7'1 0.9700
O5—C14 1.413 (9) C7'—H7'2 0.9700
O6—C15 1.407 (8) C8'—C9' 1.500 (10)
O6—C4 1.414 (8) C8'—H8'1 0.9700
C4—C5 1.504 (8) C8'—H8'2 0.9700
C4—H4A 0.9700 C9'—H9'1 0.9700
C4—H4B 0.9700 C9'—H9'2 0.9700
C5—H5A 0.9700 C10'—C11' 1.500 (10)
C5—H5B 0.9700 C10'—H10C 0.9700
C6—C7 1.499 (9) C10'—H10D 0.9700
C6—H6A 0.9700 C11'—H11C 0.9700
C6—H6B 0.9700 C11'—H11D 0.9700
C7—H7A 0.9700 C12'—C13' 1.506 (10)
C7—H7B 0.9700 C12'—H12C 0.9700
C8—C9 1.501 (8) C12'—H12D 0.9700
C8—H8A 0.9700 C13'—H13C 0.9700
C8—H8B 0.9700 C13'—H13D 0.9700
C9—H9A 0.9700 C14'—C15' 1.499 (10)
C9—H9B 0.9700 C14'—H14C 0.9700
C10—C11 1.507 (8) C14'—H14D 0.9700
C10—H10A 0.9700 C15'—H15C 0.9700
C10—H10B 0.9700 C15'—H15D 0.9700
C11—H11A 0.9700 N1—Zn1 1.938 (3)
C11—H11B 0.9700 N2—Zn1 1.948 (6)
C12—C13 1.501 (8) N3—Zn1 1.964 (7)
C12—H12A 0.9700 N4—H4E 0.873 (10)
C12—H12B 0.9700 N4—H4F 0.874 (10)
C13—H13A 0.9700 N4—H4G 0.878 (10)
C13—H13B 0.9700 N4—H4H 0.878 (10)
C14—C15 1.497 (9) S3—S3i 0.957 (17)
C14—H14A 0.9700 Zn1—N1i 1.938 (3)
C14—H14B 0.9700 O1W—H1W 0.900 (11)
C15—H15A 0.9700 O1W—H2W 0.899 (10)
C15—H15B 0.9700 O1W—H3W 0.61 (7)
O1'—C6' 1.401 (10) O2W—H1W 0.9 (5)
O1'—C5' 1.411 (10) O2W—H3W 0.900 (10)
O2'—C8' 1.401 (10) O2W—H4W 0.898 (11)
N1—C1—S1 178.1 (4) O6'—C4'—H4'1 110.1
N2—C2—S2A 174.3 (16) C5'—C4'—H4'1 110.1
N2—C2—S2 168 (2) O6'—C4'—H4'2 110.1
N3—C3—S3i 162.2 (5) C5'—C4'—H4'2 110.1
N3—C3—S3 162.2 (5) H4'1—C4'—H4'2 108.4
N3—C3—S3A 158.9 (13) O1'—C5'—C4' 108.5 (17)
C6—O1—C5 109.4 (8) O1'—C5'—H5'1 110.0
C7—O2—C8 112.2 (8) C4'—C5'—H5'1 110.0
C9—O3—C10 112.3 (7) O1'—C5'—H5'2 110.0
C11—O4—C12 111.0 (8) C4'—C5'—H5'2 110.0
C13—O5—C14 111.2 (9) H5'1—C5'—H5'2 108.4
C15—O6—C4 113.1 (9) O1'—C6'—C7' 112 (2)
O6—C4—C5 108.9 (7) O1'—C6'—H6'1 109.3
O6—C4—H4A 109.9 C7'—C6'—H6'1 109.3
C5—C4—H4A 109.9 O1'—C6'—H6'2 109.3
O6—C4—H4B 109.9 C7'—C6'—H6'2 109.3
C5—C4—H4B 109.9 H6'1—C6'—H6'2 108.0
H4A—C4—H4B 108.3 O2'—C7'—C6' 104.5 (18)
O1—C5—C4 108.7 (9) O2'—C7'—H7'1 110.8
O1—C5—H5A 110.0 C6'—C7'—H7'1 110.8
C4—C5—H5A 110.0 O2'—C7'—H7'2 110.8
O1—C5—H5B 110.0 C6'—C7'—H7'2 110.8
C4—C5—H5B 110.0 H7'1—C7'—H7'2 108.9
H5A—C5—H5B 108.3 O2'—C8'—C9' 110.9 (17)
O1—C6—C7 108.6 (8) O2'—C8'—H8'1 109.5
O1—C6—H6A 110.0 C9'—C8'—H8'1 109.5
C7—C6—H6A 110.0 O2'—C8'—H8'2 109.5
O1—C6—H6B 110.0 C9'—C8'—H8'2 109.5
C7—C6—H6B 110.0 H8'1—C8'—H8'2 108.0
H6A—C6—H6B 108.4 O3'—C9'—C8' 107.9 (14)
O2—C7—C6 109.5 (9) O3'—C9'—H9'1 110.1
O2—C7—H7A 109.8 C8'—C9'—H9'1 110.1
C6—C7—H7A 109.8 O3'—C9'—H9'2 110.1
O2—C7—H7B 109.8 C8'—C9'—H9'2 110.1
C6—C7—H7B 109.8 H9'1—C9'—H9'2 108.4
H7A—C7—H7B 108.2 O3'—C10'—C11' 107.8 (15)
O2—C8—C9 109.8 (7) O3'—C10'—H10C 110.1
O2—C8—H8A 109.7 C11'—C10'—H10C 110.1
C9—C8—H8A 109.7 O3'—C10'—H10D 110.1
O2—C8—H8B 109.7 C11'—C10'—H10D 110.1
C9—C8—H8B 109.7 H10C—C10'—H10D 108.5
H8A—C8—H8B 108.2 O4'—C11'—C10' 110.3 (12)
O3—C9—C8 110.4 (8) O4'—C11'—H11C 109.6
O3—C9—H9A 109.6 C10'—C11'—H11C 109.6
C8—C9—H9A 109.6 O4'—C11'—H11D 109.6
O3—C9—H9B 109.6 C10'—C11'—H11D 109.6
C8—C9—H9B 109.6 H11C—C11'—H11D 108.1
H9A—C9—H9B 108.1 O4'—C12'—C13' 109.3 (18)
O3—C10—C11 107.8 (8) O4'—C12'—H12C 109.8
O3—C10—H10A 110.2 C13'—C12'—H12C 109.8
C11—C10—H10A 110.2 O4'—C12'—H12D 109.8
O3—C10—H10B 110.2 C13'—C12'—H12D 109.8
C11—C10—H10B 110.2 H12C—C12'—H12D 108.3
H10A—C10—H10B 108.5 O5'—C13'—C12' 105.6 (15)
O4—C11—C10 109.8 (9) O5'—C13'—H13C 110.6
O4—C11—H11A 109.7 C12'—C13'—H13C 110.6
C10—C11—H11A 109.7 O5'—C13'—H13D 110.6
O4—C11—H11B 109.7 C12'—C13'—H13D 110.6
C10—C11—H11B 109.7 H13C—C13'—H13D 108.8
H11A—C11—H11B 108.2 O5'—C14'—C15' 112 (2)
O4—C12—C13 107.1 (9) O5'—C14'—H14C 109.1
O4—C12—H12A 110.3 C15'—C14'—H14C 109.1
C13—C12—H12A 110.3 O5'—C14'—H14D 109.1
O4—C12—H12B 110.3 C15'—C14'—H14D 109.1
C13—C12—H12B 110.3 H14C—C14'—H14D 107.9
H12A—C12—H12B 108.6 O6'—C15'—C14' 106.6 (19)
O5—C13—C12 110.9 (11) O6'—C15'—H15C 110.4
O5—C13—H13A 109.5 C14'—C15'—H15C 110.4
C12—C13—H13A 109.5 O6'—C15'—H15D 110.4
O5—C13—H13B 109.5 C14'—C15'—H15D 110.4
C12—C13—H13B 109.5 H15C—C15'—H15D 108.6
H13A—C13—H13B 108.0 C1—N1—Zn1 168.0 (4)
O5—C14—C15 108.4 (9) C2—N2—Zn1 173.6 (6)
O5—C14—H14A 110.0 C3—N3—Zn1 157.0 (7)
C15—C14—H14A 110.0 H4E—N4—H4F 109 (5)
O5—C14—H14B 110.0 H4E—N4—H4G 119 (5)
C15—C14—H14B 110.0 H4F—N4—H4G 107 (5)
H14A—C14—H14B 108.4 H4E—N4—H4H 92 (5)
O6—C15—C14 109.4 (11) H4F—N4—H4H 120 (5)
O6—C15—H15A 109.8 H4G—N4—H4H 110 (5)
C14—C15—H15A 109.8 S3i—S3—C3 73.6 (3)
O6—C15—H15B 109.8 N1—Zn1—N1i 115.4 (2)
C14—C15—H15B 109.8 N1—Zn1—N2 107.82 (13)
H15A—C15—H15B 108.2 N1i—Zn1—N2 107.82 (13)
C6'—O1'—C5' 112.8 (17) N1—Zn1—N3 108.70 (13)
C8'—O2'—C7' 106.5 (15) N1i—Zn1—N3 108.70 (13)
C10'—O3'—C9' 111.7 (14) N2—Zn1—N3 108.2 (2)
C12'—O4'—C11' 114.2 (14) H1W—O1W—H2W 120 (2)
C14'—O5'—C13' 107.7 (17) H2W—O1W—H3W 152 (10)
C15'—O6'—C4' 111.2 (18) H1W—O2W—H4W 152 (10)
O6'—C4'—C5' 108 (2) H3W—O2W—H4W 121 (2)
C15—O6—C4—C5 174.9 (8) O1'—C6'—C7'—O2' −68 (3)
C6—O1—C5—C4 173.1 (8) C7'—O2'—C8'—C9' −175.8 (18)
O6—C4—C5—O1 61.5 (10) C10'—O3'—C9'—C8' −178.1 (15)
C5—O1—C6—C7 174.5 (8) O2'—C8'—C9'—O3' 64 (2)
C8—O2—C7—C6 −176.9 (8) C9'—O3'—C10'—C11' −174.2 (15)
O1—C6—C7—O2 −63.5 (11) C12'—O4'—C11'—C10' 174.0 (14)
C7—O2—C8—C9 −174.4 (8) O3'—C10'—C11'—O4' −62.7 (18)
C10—O3—C9—C8 176.1 (8) C11'—O4'—C12'—C13' 171.2 (15)
O2—C8—C9—O3 64.5 (10) C14'—O5'—C13'—C12' −174.0 (16)
C9—O3—C10—C11 −179.8 (8) O4'—C12'—C13'—O5' 68 (2)
C12—O4—C11—C10 −178.8 (9) C13'—O5'—C14'—C15' −175.8 (19)
O3—C10—C11—O4 −65.3 (10) C4'—O6'—C15'—C14' 179.3 (18)
C11—O4—C12—C13 179.6 (8) O5'—C14'—C15'—O6' −62 (2)
C14—O5—C13—C12 −175.7 (9) S3i—C3—N3—Zn1 67 (3)
O4—C12—C13—O5 67.7 (11) S3—C3—N3—Zn1 −67 (3)
C13—O5—C14—C15 −179.8 (8) S3A—C3—N3—Zn1 180.0
C4—O6—C15—C14 −174.1 (8) N3—C3—S3—S3i 156 (3)
O5—C14—C15—O6 −63.7 (11) S3A—C3—S3—S3i −62.2 (12)
C15'—O6'—C4'—C5' 176.4 (18) C1—N1—Zn1—N1i 170.5 (15)
C6'—O1'—C5'—C4' 175.5 (17) C1—N1—Zn1—N2 −69.0 (17)
O6'—C4'—C5'—O1' 62 (2) C1—N1—Zn1—N3 48.1 (17)
C5'—O1'—C6'—C7' 176.4 (18) C3—N3—Zn1—N1 −116.85 (12)
C8'—O2'—C7'—C6' −177.5 (18) C3—N3—Zn1—N1i 116.85 (12)