Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805020933/fl6172sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805020933/fl6172Isup2.hkl |
CCDC reference: 282347
Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 2000); software used to prepare material for publication: SHELXL97.
[Be(C13H8NO1.265S0.735)2] | F(000) = 1870 |
Mr = 452.99 | Dx = 1.388 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 4822 reflections |
a = 24.3956 (16) Å | θ = 2.4–26.8° |
b = 12.0400 (8) Å | µ = 0.22 mm−1 |
c = 14.7848 (10) Å | T = 293 K |
β = 93.529 (1)° | Block, yellow |
V = 4334.4 (5) Å3 | 0.34 × 0.27 × 0.13 mm |
Z = 8 |
Bruker APEX area-detector diffractometer | 4712 independent reflections |
Radiation source: fine-focus sealed tube | 3742 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.018 |
φ and ω scans | θmax = 27.0°, θmin = 1.7° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −31→23 |
Tmin = 0.928, Tmax = 0.971 | k = −15→13 |
12955 measured reflections | l = −18→18 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.047 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.130 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0566P)2 + 2.6031P] where P = (Fo2 + 2Fc2)/3 |
4712 reflections | (Δ/σ)max = 0.001 |
305 parameters | Δρmax = 0.36 e Å−3 |
8 restraints | Δρmin = −0.40 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
O1 | 0.47858 (12) | 0.58375 (13) | 0.1364 (4) | 0.0541 (2) | 0.266 (2) |
S1 | 0.46009 (3) | 0.55704 (5) | 0.14499 (5) | 0.0541 (2) | 0.734 (2) |
O2 | 0.7211 (2) | 0.7989 (5) | 0.15980 (15) | 0.0713 (3) | 0.266 (2) |
S2 | 0.72799 (3) | 0.84852 (7) | 0.16272 (5) | 0.0713 (3) | 0.734 (2) |
N1 | 0.55417 (6) | 0.62086 (12) | 0.08805 (10) | 0.0517 (4) | |
N2 | 0.66510 (6) | 0.68251 (13) | 0.11497 (10) | 0.0537 (4) | |
O3 | 0.63153 (5) | 0.47742 (11) | 0.05207 (10) | 0.0621 (4) | |
O4 | 0.62221 (6) | 0.65937 (12) | −0.05033 (9) | 0.0649 (4) | |
C1 | 0.59834 (8) | 0.39869 (15) | 0.07663 (12) | 0.0543 (4) | |
C2 | 0.61489 (9) | 0.28711 (17) | 0.07363 (15) | 0.0681 (5) | |
H2A | 0.6492 | 0.2700 | 0.0533 | 0.082* | |
C3 | 0.58173 (12) | 0.20310 (19) | 0.09990 (17) | 0.0796 (7) | |
H3A | 0.5939 | 0.1301 | 0.0973 | 0.096* | |
C4 | 0.53041 (12) | 0.22473 (19) | 0.13024 (18) | 0.0843 (7) | |
H4A | 0.5084 | 0.1670 | 0.1487 | 0.101* | |
C5 | 0.51245 (10) | 0.33192 (19) | 0.13275 (15) | 0.0710 (6) | |
H5A | 0.4777 | 0.3466 | 0.1523 | 0.085* | |
C6 | 0.54527 (7) | 0.42062 (15) | 0.10655 (12) | 0.0530 (4) | |
C7 | 0.52583 (4) | 0.53307 (15) | 0.10995 (11) | 0.0507 (4) | |
C8 | 0.47316 (8) | 0.69800 (7) | 0.13273 (12) | 0.0555 (4) | |
C9 | 0.43747 (9) | 0.7820 (2) | 0.15123 (16) | 0.0743 (6) | |
H9A | 0.4032 | 0.7670 | 0.1728 | 0.089* | |
C10 | 0.45414 (11) | 0.8883 (2) | 0.13676 (18) | 0.0841 (7) | |
H10A | 0.4311 | 0.9472 | 0.1493 | 0.101* | |
C11 | 0.50494 (11) | 0.90969 (19) | 0.10364 (18) | 0.0824 (7) | |
H11A | 0.5152 | 0.9829 | 0.0937 | 0.099* | |
C12 | 0.54038 (9) | 0.82602 (17) | 0.08521 (16) | 0.0680 (5) | |
H12A | 0.5743 | 0.8414 | 0.0627 | 0.082* | |
C13 | 0.52445 (7) | 0.71744 (15) | 0.10094 (13) | 0.0534 (4) | |
C14 | 0.64618 (8) | 0.75193 (17) | −0.07067 (14) | 0.0593 (5) | |
C15 | 0.63925 (10) | 0.7944 (2) | −0.15937 (16) | 0.0745 (6) | |
H15A | 0.6171 | 0.7561 | −0.2023 | 0.089* | |
C16 | 0.66397 (12) | 0.8896 (2) | −0.18368 (19) | 0.0906 (8) | |
H16A | 0.6584 | 0.9158 | −0.2427 | 0.109* | |
C17 | 0.69737 (13) | 0.9482 (2) | −0.1217 (2) | 0.1009 (9) | |
H17A | 0.7145 | 1.0130 | −0.1392 | 0.121* | |
C18 | 0.70504 (11) | 0.9106 (2) | −0.0348 (2) | 0.0884 (7) | |
H18A | 0.7275 | 0.9505 | 0.0066 | 0.106* | |
C19 | 0.67976 (8) | 0.81323 (17) | −0.00691 (15) | 0.0625 (5) | |
C20 | 0.68776 (7) | 0.77191 (15) | 0.08408 (11) | 0.0587 (5) | |
C21 | 0.71583 (8) | 0.74603 (14) | 0.24178 (11) | 0.0655 (5) | |
C22 | 0.73726 (11) | 0.7467 (3) | 0.3294 (2) | 0.0938 (9) | |
H22A | 0.7612 | 0.8018 | 0.3514 | 0.113* | |
C23 | 0.72112 (14) | 0.6607 (3) | 0.38268 (19) | 0.0993 (10) | |
H23A | 0.7343 | 0.6576 | 0.4430 | 0.119* | |
C24 | 0.68628 (11) | 0.5796 (2) | 0.34959 (18) | 0.0865 (8) | |
H24A | 0.6760 | 0.5231 | 0.3880 | 0.104* | |
C25 | 0.66623 (9) | 0.57959 (18) | 0.26152 (15) | 0.0667 (5) | |
H25A | 0.6431 | 0.5231 | 0.2393 | 0.080* | |
C26 | 0.68108 (7) | 0.66569 (16) | 0.20587 (13) | 0.0545 (4) | |
Be1 | 0.61908 (10) | 0.6047 (2) | 0.04584 (17) | 0.0547 (6) |
U11 | U22 | U33 | U12 | U13 | U23 | |
O1 | 0.0421 (4) | 0.0549 (4) | 0.0656 (4) | −0.0101 (3) | 0.0052 (3) | 0.0022 (3) |
S1 | 0.0421 (4) | 0.0549 (4) | 0.0656 (4) | −0.0101 (3) | 0.0052 (3) | 0.0022 (3) |
O2 | 0.0621 (4) | 0.0622 (5) | 0.0885 (5) | −0.0198 (4) | −0.0033 (3) | −0.0044 (4) |
S2 | 0.0621 (4) | 0.0622 (5) | 0.0885 (5) | −0.0198 (4) | −0.0033 (3) | −0.0044 (4) |
N1 | 0.0476 (8) | 0.0490 (8) | 0.0582 (9) | −0.0047 (6) | 0.0007 (6) | −0.0050 (7) |
N2 | 0.0448 (8) | 0.0567 (9) | 0.0597 (9) | −0.0061 (7) | 0.0049 (6) | −0.0047 (7) |
O3 | 0.0532 (7) | 0.0550 (8) | 0.0788 (9) | −0.0035 (6) | 0.0088 (6) | −0.0080 (6) |
O4 | 0.0672 (8) | 0.0674 (9) | 0.0599 (8) | −0.0156 (7) | 0.0021 (6) | −0.0023 (6) |
C1 | 0.0567 (10) | 0.0498 (10) | 0.0549 (10) | −0.0062 (8) | −0.0085 (8) | −0.0051 (8) |
C2 | 0.0696 (13) | 0.0574 (12) | 0.0755 (13) | 0.0048 (10) | −0.0104 (10) | −0.0071 (10) |
C3 | 0.0990 (18) | 0.0496 (12) | 0.0876 (16) | −0.0044 (11) | −0.0168 (14) | 0.0011 (11) |
C4 | 0.0998 (19) | 0.0565 (13) | 0.0955 (17) | −0.0237 (12) | −0.0033 (14) | 0.0069 (12) |
C5 | 0.0687 (13) | 0.0680 (13) | 0.0756 (14) | −0.0187 (10) | −0.0016 (10) | 0.0018 (10) |
C6 | 0.0532 (10) | 0.0510 (10) | 0.0535 (10) | −0.0088 (8) | −0.0067 (8) | 0.0004 (8) |
C7 | 0.0433 (9) | 0.0598 (11) | 0.0481 (9) | −0.0060 (7) | −0.0037 (7) | −0.0025 (8) |
C8 | 0.0538 (10) | 0.0557 (10) | 0.0567 (10) | −0.0067 (8) | −0.0002 (8) | −0.0033 (8) |
C9 | 0.0578 (12) | 0.0852 (17) | 0.0806 (14) | 0.0026 (11) | 0.0112 (10) | −0.0128 (12) |
C10 | 0.0802 (16) | 0.0697 (15) | 0.1027 (18) | 0.0163 (12) | 0.0087 (13) | −0.0199 (13) |
C11 | 0.0962 (18) | 0.0498 (12) | 0.1018 (18) | −0.0052 (11) | 0.0111 (14) | −0.0097 (12) |
C12 | 0.0646 (12) | 0.0555 (12) | 0.0849 (14) | −0.0094 (9) | 0.0132 (10) | −0.0063 (10) |
C13 | 0.0508 (10) | 0.0510 (10) | 0.0583 (10) | −0.0016 (8) | 0.0016 (8) | −0.0069 (8) |
C14 | 0.0497 (10) | 0.0645 (12) | 0.0650 (11) | −0.0004 (9) | 0.0132 (8) | 0.0009 (9) |
C15 | 0.0685 (13) | 0.0863 (16) | 0.0697 (13) | 0.0032 (11) | 0.0126 (10) | 0.0099 (12) |
C16 | 0.0910 (18) | 0.0960 (19) | 0.0871 (17) | 0.0071 (15) | 0.0243 (15) | 0.0265 (15) |
C17 | 0.110 (2) | 0.0804 (18) | 0.115 (2) | −0.0190 (16) | 0.0313 (18) | 0.0255 (17) |
C18 | 0.0889 (17) | 0.0770 (16) | 0.1007 (19) | −0.0271 (13) | 0.0165 (14) | 0.0018 (14) |
C19 | 0.0544 (11) | 0.0601 (12) | 0.0742 (13) | −0.0095 (9) | 0.0143 (9) | 0.0008 (10) |
C20 | 0.0438 (9) | 0.0608 (11) | 0.0719 (12) | −0.0106 (8) | 0.0074 (8) | −0.0099 (9) |
C21 | 0.0539 (11) | 0.0616 (12) | 0.0799 (13) | 0.0022 (9) | −0.0058 (10) | −0.0071 (10) |
C22 | 0.0834 (17) | 0.0869 (18) | 0.106 (2) | 0.0217 (14) | −0.0375 (15) | −0.0381 (16) |
C23 | 0.113 (2) | 0.110 (2) | 0.0710 (16) | 0.0535 (19) | −0.0199 (15) | −0.0144 (16) |
C24 | 0.0883 (17) | 0.0976 (19) | 0.0747 (15) | 0.0349 (15) | 0.0140 (13) | 0.0143 (14) |
C25 | 0.0600 (12) | 0.0643 (12) | 0.0767 (14) | 0.0066 (9) | 0.0121 (10) | 0.0017 (10) |
C26 | 0.0438 (9) | 0.0581 (11) | 0.0617 (11) | 0.0025 (8) | 0.0034 (8) | −0.0079 (8) |
Be1 | 0.0478 (12) | 0.0549 (13) | 0.0616 (14) | −0.0072 (10) | 0.0049 (10) | −0.0071 (11) |
O1—C7 | 1.3818 (10) | C8—C13 | 1.383 (3) |
O1—C8 | 1.3826 (10) | C9—C10 | 1.364 (3) |
S1—C8 | 1.7385 (5) | C9—H9A | 0.9300 |
S1—C7 | 1.7398 (5) | C10—C11 | 1.384 (4) |
O2—C20 | 1.3813 (10) | C10—H10A | 0.9300 |
O2—C21 | 1.3823 (10) | C11—C12 | 1.366 (3) |
S2—C21 | 1.7377 (5) | C11—H11A | 0.9300 |
S2—C20 | 1.7392 (5) | C12—C13 | 1.388 (3) |
N1—C7 | 1.314 (2) | C12—H12A | 0.9300 |
N1—C13 | 1.390 (2) | C14—C15 | 1.408 (3) |
N1—Be1 | 1.748 (3) | C14—C19 | 1.418 (3) |
N2—C20 | 1.305 (2) | C15—C16 | 1.354 (4) |
N2—C26 | 1.391 (2) | C15—H15A | 0.9300 |
N2—Be1 | 1.744 (3) | C16—C17 | 1.381 (4) |
O3—C1 | 1.312 (2) | C16—H16A | 0.9300 |
O3—Be1 | 1.564 (3) | C17—C18 | 1.364 (4) |
O4—C14 | 1.302 (2) | C17—H17A | 0.9300 |
O4—Be1 | 1.573 (3) | C18—C19 | 1.399 (3) |
C1—C2 | 1.404 (3) | C18—H18A | 0.9300 |
C1—C6 | 1.418 (3) | C19—C20 | 1.436 (3) |
C2—C3 | 1.366 (3) | C21—C22 | 1.366 (3) |
C2—H2A | 0.9300 | C21—C26 | 1.371 (3) |
C3—C4 | 1.381 (4) | C22—C23 | 1.374 (4) |
C3—H3A | 0.9300 | C22—H22A | 0.9300 |
C4—C5 | 1.364 (3) | C23—C24 | 1.365 (4) |
C4—H4A | 0.9300 | C23—H23A | 0.9300 |
C5—C6 | 1.404 (3) | C24—C25 | 1.363 (3) |
C5—H5A | 0.9300 | C24—H24A | 0.9300 |
C6—C7 | 1.436 (2) | C25—C26 | 1.385 (3) |
C8—C9 | 1.373 (3) | C25—H25A | 0.9300 |
C7—O1—C8 | 120.5 (2) | C8—C13—C12 | 119.00 (16) |
C8—S1—C7 | 87.27 (10) | C8—C13—N1 | 113.30 (15) |
C20—O2—C21 | 121.4 (2) | C12—C13—N1 | 127.70 (18) |
C21—S2—C20 | 87.73 (10) | O4—C14—C15 | 119.7 (2) |
C7—N1—C13 | 110.63 (14) | O4—C14—C19 | 122.77 (18) |
C7—N1—Be1 | 120.03 (14) | C15—C14—C19 | 117.5 (2) |
C13—N1—Be1 | 129.31 (15) | C16—C15—C14 | 121.7 (2) |
C20—N2—C26 | 111.01 (14) | C16—C15—H15A | 119.2 |
C20—N2—Be1 | 120.60 (15) | C14—C15—H15A | 119.2 |
C26—N2—Be1 | 128.33 (15) | C15—C16—C17 | 120.7 (3) |
C1—O3—Be1 | 127.10 (15) | C15—C16—H16A | 119.6 |
C14—O4—Be1 | 127.89 (16) | C17—C16—H16A | 119.6 |
O3—C1—C2 | 119.91 (19) | C18—C17—C16 | 119.7 (2) |
O3—C1—C6 | 122.84 (17) | C18—C17—H17A | 120.1 |
C2—C1—C6 | 117.24 (18) | C16—C17—H17A | 120.1 |
C3—C2—C1 | 121.5 (2) | C17—C18—C19 | 121.2 (3) |
C3—C2—H2A | 119.2 | C17—C18—H18A | 119.4 |
C1—C2—H2A | 119.2 | C19—C18—H18A | 119.4 |
C2—C3—C4 | 121.2 (2) | C18—C19—C14 | 119.2 (2) |
C2—C3—H3A | 119.4 | C18—C19—C20 | 122.0 (2) |
C4—C3—H3A | 119.4 | C14—C19—C20 | 118.82 (16) |
C5—C4—C3 | 119.1 (2) | N2—C20—O2 | 98.7 (2) |
C5—C4—H4A | 120.4 | N2—C20—C19 | 125.26 (12) |
C3—C4—H4A | 120.4 | O2—C20—C19 | 135.78 (18) |
C4—C5—C6 | 121.5 (2) | N2—C20—S2 | 115.92 (14) |
C4—C5—H5A | 119.2 | C19—C20—S2 | 118.74 (14) |
C6—C5—H5A | 119.2 | C22—C21—C26 | 124.22 (18) |
C5—C6—C1 | 119.45 (18) | C22—C21—O2 | 141.0 (2) |
C5—C6—C7 | 120.82 (18) | C26—C21—O2 | 94.2 (2) |
C1—C6—C7 | 119.74 (15) | C22—C21—S2 | 124.20 (19) |
N1—C7—O1 | 100.09 (17) | C26—C21—S2 | 111.56 (14) |
N1—C7—C6 | 124.72 (11) | C21—C22—C23 | 115.7 (2) |
O1—C7—C6 | 135.16 (16) | C21—C22—H22A | 122.2 |
N1—C7—S1 | 116.65 (13) | C23—C22—H22A | 122.2 |
C6—C7—S1 | 118.63 (13) | C24—C23—C22 | 121.8 (2) |
C9—C8—O1 | 141.77 (19) | C24—C23—H23A | 119.1 |
C9—C8—C13 | 122.74 (14) | C22—C23—H23A | 119.1 |
O1—C8—C13 | 95.46 (17) | C25—C24—C23 | 121.4 (3) |
C9—C8—S1 | 125.16 (16) | C25—C24—H24A | 119.3 |
C13—C8—S1 | 112.10 (13) | C23—C24—H24A | 119.3 |
C10—C9—C8 | 117.5 (2) | C24—C25—C26 | 118.4 (2) |
C10—C9—H9A | 121.3 | C24—C25—H25A | 120.8 |
C8—C9—H9A | 121.3 | C26—C25—H25A | 120.8 |
C9—C10—C11 | 120.8 (2) | C21—C26—C25 | 118.41 (18) |
C9—C10—H10A | 119.6 | C21—C26—N2 | 113.65 (16) |
C11—C10—H10A | 119.6 | C25—C26—N2 | 127.93 (18) |
C12—C11—C10 | 121.7 (2) | O3—Be1—O4 | 116.29 (17) |
C12—C11—H11A | 119.2 | O3—Be1—N2 | 112.09 (16) |
C10—C11—H11A | 119.2 | O4—Be1—N2 | 103.89 (15) |
C11—C12—C13 | 118.3 (2) | O3—Be1—N1 | 105.34 (15) |
C11—C12—H12A | 120.8 | O4—Be1—N1 | 111.82 (16) |
C13—C12—H12A | 120.8 | N2—Be1—N1 | 107.21 (15) |
Be1—O3—C1—C2 | 176.37 (18) | O4—C14—C19—C18 | 178.5 (2) |
Be1—O3—C1—C6 | −3.4 (3) | C15—C14—C19—C18 | −1.2 (3) |
O3—C1—C2—C3 | 179.07 (19) | O4—C14—C19—C20 | −0.1 (3) |
C6—C1—C2—C3 | −1.1 (3) | C15—C14—C19—C20 | −179.83 (18) |
C1—C2—C3—C4 | 0.2 (3) | C26—N2—C20—O2 | 5.1 (4) |
C2—C3—C4—C5 | 0.9 (4) | Be1—N2—C20—O2 | −177.5 (3) |
C3—C4—C5—C6 | −1.0 (4) | C26—N2—C20—C19 | −179.78 (18) |
C4—C5—C6—C1 | 0.1 (3) | Be1—N2—C20—C19 | −2.4 (3) |
C4—C5—C6—C7 | −179.7 (2) | C26—N2—C20—S2 | −3.0 (2) |
O3—C1—C6—C5 | −179.23 (17) | Be1—N2—C20—S2 | 174.43 (13) |
C2—C1—C6—C5 | 1.0 (3) | C21—O2—C20—N2 | −10.5 (6) |
O3—C1—C6—C7 | 0.6 (3) | C21—O2—C20—C19 | 175.2 (3) |
C2—C1—C6—C7 | −179.22 (17) | C21—O2—C20—S2 | 146.4 (13) |
C13—N1—C7—O1 | −0.3 (3) | C18—C19—C20—N2 | 179.3 (2) |
Be1—N1—C7—O1 | −178.4 (3) | C14—C19—C20—N2 | −2.2 (3) |
C13—N1—C7—C6 | −178.42 (16) | C18—C19—C20—O2 | −7.7 (6) |
Be1—N1—C7—C6 | 3.4 (3) | C14—C19—C20—O2 | 170.9 (5) |
C13—N1—C7—S1 | 1.80 (19) | C18—C19—C20—S2 | 2.6 (3) |
Be1—N1—C7—S1 | −176.33 (13) | C14—C19—C20—S2 | −178.87 (15) |
C8—O1—C7—N1 | 0.7 (5) | C21—S2—C20—N2 | 3.42 (16) |
C8—O1—C7—C6 | 178.6 (3) | C21—S2—C20—O2 | −22.1 (8) |
C8—O1—C7—S1 | −172.8 (13) | C21—S2—C20—C19 | −179.57 (17) |
C5—C6—C7—N1 | 178.90 (18) | C20—O2—C21—C22 | −178.1 (3) |
C1—C6—C7—N1 | −0.9 (3) | C20—O2—C21—C26 | 10.5 (6) |
C5—C6—C7—O1 | 1.5 (5) | C20—O2—C21—S2 | −146.5 (13) |
C1—C6—C7—O1 | −178.4 (4) | C20—S2—C21—C22 | 178.5 (2) |
C5—C6—C7—S1 | −1.3 (2) | C20—S2—C21—C26 | −2.82 (16) |
C1—C6—C7—S1 | 178.85 (13) | C20—S2—C21—O2 | 22.0 (8) |
C8—S1—C7—N1 | −2.17 (14) | C26—C21—C22—C23 | −1.0 (4) |
C8—S1—C7—O1 | 4.9 (9) | O2—C21—C22—C23 | −170.7 (6) |
C8—S1—C7—C6 | 178.04 (15) | S2—C21—C22—C23 | 177.44 (19) |
C7—O1—C8—C9 | −178.8 (3) | C21—C22—C23—C24 | 0.5 (4) |
C7—O1—C8—C13 | −0.8 (5) | C22—C23—C24—C25 | 0.7 (4) |
C7—O1—C8—S1 | 172.9 (13) | C23—C24—C25—C26 | −1.4 (3) |
C7—S1—C8—C9 | −178.56 (19) | C22—C21—C26—C25 | 0.4 (3) |
C7—S1—C8—O1 | −4.9 (9) | O2—C21—C26—C25 | 173.9 (3) |
C7—S1—C8—C13 | 1.89 (15) | S2—C21—C26—C25 | −178.28 (15) |
O1—C8—C9—C10 | 177.8 (5) | C22—C21—C26—N2 | −179.5 (2) |
C13—C8—C9—C10 | 0.3 (3) | O2—C21—C26—N2 | −6.0 (4) |
S1—C8—C9—C10 | −179.24 (18) | S2—C21—C26—N2 | 1.9 (2) |
C8—C9—C10—C11 | 0.8 (4) | C24—C25—C26—C21 | 0.9 (3) |
C9—C10—C11—C12 | −0.7 (4) | C24—C25—C26—N2 | −179.32 (19) |
C10—C11—C12—C13 | −0.3 (4) | C20—N2—C26—C21 | 0.7 (2) |
C9—C8—C13—C12 | −1.3 (3) | Be1—N2—C26—C21 | −176.50 (17) |
O1—C8—C13—C12 | −179.8 (3) | C20—N2—C26—C25 | −179.16 (19) |
S1—C8—C13—C12 | 178.26 (16) | Be1—N2—C26—C25 | 3.7 (3) |
C9—C8—C13—N1 | 179.07 (18) | C1—O3—Be1—O4 | −119.3 (2) |
O1—C8—C13—N1 | 0.6 (3) | C1—O3—Be1—N2 | 121.37 (18) |
S1—C8—C13—N1 | −1.4 (2) | C1—O3—Be1—N1 | 5.1 (2) |
C11—C12—C13—C8 | 1.3 (3) | C14—O4—Be1—O3 | −134.04 (19) |
C11—C12—C13—N1 | −179.1 (2) | C14—O4—Be1—N2 | −10.4 (3) |
C7—N1—C13—C8 | −0.2 (2) | C14—O4—Be1—N1 | 104.9 (2) |
Be1—N1—C13—C8 | 177.67 (17) | C20—N2—Be1—O3 | 133.83 (18) |
C7—N1—C13—C12 | −179.8 (2) | C26—N2—Be1—O3 | −49.2 (2) |
Be1—N1—C13—C12 | −1.9 (3) | C20—N2—Be1—O4 | 7.5 (2) |
Be1—O4—C14—C15 | −172.59 (19) | C26—N2—Be1—O4 | −175.59 (16) |
Be1—O4—C14—C19 | 7.7 (3) | C20—N2—Be1—N1 | −111.04 (18) |
O4—C14—C15—C16 | −179.2 (2) | C26—N2—Be1—N1 | 65.9 (2) |
C19—C14—C15—C16 | 0.6 (3) | C7—N1—Be1—O3 | −5.0 (2) |
C14—C15—C16—C17 | 0.4 (4) | C13—N1—Be1—O3 | 177.28 (16) |
C15—C16—C17—C18 | −0.8 (4) | C7—N1—Be1—O4 | 122.22 (18) |
C16—C17—C18—C19 | 0.1 (4) | C13—N1—Be1—O4 | −55.5 (2) |
C17—C18—C19—C14 | 0.9 (4) | C7—N1—Be1—N2 | −124.53 (17) |
C17—C18—C19—C20 | 179.4 (2) | C13—N1—Be1—N2 | 57.7 (2) |