Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805017757/sj6100sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805017757/sj6100Isup2.hkl |
CCDC reference: 277788
Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.
[Mn(C13H10BrN2O)2]NO3 | Dx = 1.734 Mg m−3 |
Mr = 697.23 | Mo Kα radiation, λ = 0.71073 Å |
Tetragonal, P42/n | Cell parameters from 8655 reflections |
Hall symbol: -P 4bc | θ = 2.3–21.7° |
a = 17.608 (3) Å | µ = 3.53 mm−1 |
c = 17.224 (3) Å | T = 298 K |
V = 5340.2 (16) Å3 | Block, brown |
Z = 8 | 0.23 × 0.21 × 0.17 mm |
F(000) = 2768 |
Bruker SMART CCD area-detector diffractometer | 6135 independent reflections |
Radiation source: fine-focus sealed tube | 3995 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.067 |
ω scans | θmax = 27.5°, θmin = 1.6° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −22→22 |
Tmin = 0.466, Tmax = 0.548 | k = −22→22 |
60512 measured reflections | l = −22→22 |
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)] = 0.046 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.125 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0504P)2 + 7.176P] where P = (Fo2 + 2Fc2)/3 |
6135 reflections | (Δ/σ)max < 0.001 |
380 parameters | Δρmax = 0.90 e Å−3 |
36 restraints | Δρmin = −0.66 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) | |
Mn1 | 0.49193 (3) | 0.67507 (3) | 0.23975 (3) | 0.03109 (14) | |
Br1 | 0.64021 (4) | 0.67760 (4) | 0.63262 (3) | 0.0830 (2) | |
Br2 | 0.59045 (3) | 0.64660 (3) | −0.17137 (3) | 0.06481 (17) | |
O1 | 0.58272 (16) | 0.70387 (16) | 0.28947 (17) | 0.0498 (7) | |
O2 | 0.54479 (16) | 0.60704 (15) | 0.17321 (16) | 0.0478 (7) | |
O3 | 0.3606 (17) | 0.8085 (18) | 0.0208 (19) | 0.105 (7) | 0.51 (5) |
O4 | 0.4357 (17) | 0.9011 (8) | 0.0417 (13) | 0.111 (6) | 0.51 (5) |
O5 | 0.4428 (16) | 0.8397 (16) | −0.0612 (10) | 0.092 (6) | 0.51 (5) |
O3' | 0.365 (2) | 0.7977 (19) | −0.0047 (18) | 0.091 (6) | 0.49 (5) |
O4' | 0.4057 (15) | 0.8877 (15) | 0.0624 (12) | 0.109 (7) | 0.49 (5) |
O5' | 0.4578 (16) | 0.862 (2) | −0.0454 (18) | 0.136 (10) | 0.49 (5) |
N1 | 0.47677 (18) | 0.59266 (18) | 0.30850 (19) | 0.0409 (7) | |
N2 | 0.39661 (19) | 0.63972 (19) | 0.19428 (19) | 0.0447 (8) | |
N3 | 0.50885 (18) | 0.75980 (17) | 0.17439 (18) | 0.0411 (8) | |
N4 | 0.43491 (18) | 0.74906 (18) | 0.30143 (19) | 0.0420 (8) | |
N5 | 0.4109 (2) | 0.8498 (3) | 0.0021 (3) | 0.0657 (11) | |
C1 | 0.5570 (2) | 0.6395 (2) | 0.4103 (2) | 0.0428 (9) | |
C2 | 0.5924 (2) | 0.6960 (2) | 0.3643 (2) | 0.0431 (9) | |
C3 | 0.6424 (2) | 0.7455 (2) | 0.4027 (3) | 0.0544 (11) | |
H3 | 0.6676 | 0.7827 | 0.3743 | 0.065* | |
C4 | 0.6549 (3) | 0.7401 (3) | 0.4811 (3) | 0.0581 (12) | |
H4 | 0.6874 | 0.7744 | 0.5054 | 0.070* | |
C5 | 0.6197 (3) | 0.6841 (3) | 0.5242 (3) | 0.0527 (11) | |
C6 | 0.5719 (2) | 0.6340 (2) | 0.4901 (3) | 0.0493 (10) | |
H6 | 0.5490 | 0.5960 | 0.5195 | 0.059* | |
C7 | 0.5056 (2) | 0.5848 (2) | 0.3760 (2) | 0.0445 (10) | |
H7 | 0.4929 | 0.5418 | 0.4046 | 0.053* | |
C8 | 0.4265 (3) | 0.5343 (2) | 0.2774 (3) | 0.0508 (11) | |
H8A | 0.3984 | 0.5104 | 0.3192 | 0.061* | |
H8B | 0.4559 | 0.4956 | 0.2510 | 0.061* | |
C9 | 0.3728 (2) | 0.5717 (2) | 0.2216 (2) | 0.0470 (10) | |
C10 | 0.3051 (3) | 0.5410 (3) | 0.1991 (3) | 0.0626 (13) | |
H10 | 0.2892 | 0.4945 | 0.2190 | 0.075* | |
C11 | 0.2605 (3) | 0.5798 (3) | 0.1465 (3) | 0.0729 (15) | |
H11 | 0.2141 | 0.5598 | 0.1306 | 0.088* | |
C12 | 0.2851 (3) | 0.6476 (3) | 0.1182 (3) | 0.0710 (15) | |
H12 | 0.2560 | 0.6739 | 0.0821 | 0.085* | |
C13 | 0.3530 (3) | 0.6768 (3) | 0.1431 (3) | 0.0576 (12) | |
H13 | 0.3692 | 0.7234 | 0.1240 | 0.069* | |
C14 | 0.5478 (2) | 0.6906 (2) | 0.0617 (2) | 0.0415 (9) | |
C15 | 0.5535 (2) | 0.6183 (2) | 0.0986 (2) | 0.0423 (9) | |
C16 | 0.5720 (3) | 0.5567 (2) | 0.0502 (3) | 0.0557 (11) | |
H16 | 0.5769 | 0.5088 | 0.0723 | 0.067* | |
C17 | 0.5831 (3) | 0.5643 (3) | −0.0278 (3) | 0.0585 (12) | |
H17 | 0.5955 | 0.5221 | −0.0577 | 0.070* | |
C18 | 0.5759 (2) | 0.6351 (3) | −0.0625 (2) | 0.0495 (10) | |
C19 | 0.5596 (2) | 0.6974 (2) | −0.0187 (2) | 0.0459 (10) | |
H19 | 0.5563 | 0.7449 | −0.0422 | 0.055* | |
C20 | 0.5326 (2) | 0.7587 (2) | 0.1044 (2) | 0.0423 (9) | |
H20 | 0.5404 | 0.8049 | 0.0796 | 0.051* | |
C21 | 0.4996 (3) | 0.8324 (2) | 0.2143 (2) | 0.0483 (10) | |
H21A | 0.4820 | 0.8709 | 0.1783 | 0.058* | |
H21B | 0.5478 | 0.8489 | 0.2359 | 0.058* | |
C22 | 0.4428 (2) | 0.8214 (2) | 0.2776 (2) | 0.0452 (10) | |
C23 | 0.4009 (3) | 0.8789 (3) | 0.3093 (3) | 0.0603 (12) | |
H23 | 0.4061 | 0.9283 | 0.2908 | 0.072* | |
C24 | 0.3509 (3) | 0.8633 (3) | 0.3686 (3) | 0.0690 (14) | |
H24 | 0.3221 | 0.9018 | 0.3911 | 0.083* | |
C25 | 0.3445 (3) | 0.7899 (3) | 0.3939 (3) | 0.0655 (13) | |
H25 | 0.3120 | 0.7780 | 0.4347 | 0.079* | |
C26 | 0.3859 (3) | 0.7344 (3) | 0.3589 (3) | 0.0526 (11) | |
H26 | 0.3799 | 0.6845 | 0.3755 | 0.063* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Mn1 | 0.0339 (3) | 0.0276 (3) | 0.0318 (3) | −0.0014 (2) | 0.0009 (2) | 0.0054 (2) |
Br1 | 0.0910 (4) | 0.1053 (5) | 0.0526 (3) | 0.0109 (3) | −0.0146 (3) | −0.0164 (3) |
Br2 | 0.0769 (4) | 0.0714 (3) | 0.0461 (3) | −0.0089 (3) | 0.0071 (2) | −0.0095 (2) |
O1 | 0.0453 (16) | 0.0540 (18) | 0.0502 (17) | −0.0099 (13) | −0.0031 (13) | 0.0125 (14) |
O2 | 0.0541 (17) | 0.0412 (16) | 0.0482 (17) | 0.0065 (13) | 0.0055 (13) | 0.0086 (13) |
O3 | 0.066 (9) | 0.135 (19) | 0.113 (18) | −0.010 (9) | 0.036 (12) | 0.048 (11) |
O4 | 0.121 (10) | 0.088 (7) | 0.123 (9) | 0.016 (6) | −0.036 (7) | 0.000 (6) |
O5 | 0.117 (14) | 0.092 (11) | 0.067 (8) | 0.035 (8) | 0.026 (7) | 0.026 (7) |
O3' | 0.091 (15) | 0.098 (9) | 0.085 (13) | −0.020 (9) | −0.003 (8) | −0.008 (10) |
O4' | 0.094 (12) | 0.135 (13) | 0.100 (10) | 0.029 (9) | −0.023 (8) | −0.047 (9) |
O5' | 0.081 (10) | 0.14 (2) | 0.19 (2) | 0.022 (10) | 0.065 (15) | 0.097 (15) |
N1 | 0.0424 (18) | 0.0374 (18) | 0.0430 (18) | −0.0043 (14) | 0.0018 (15) | 0.0049 (14) |
N2 | 0.0424 (19) | 0.048 (2) | 0.0436 (18) | 0.0001 (15) | 0.0001 (15) | 0.0005 (16) |
N3 | 0.0470 (19) | 0.0331 (17) | 0.0431 (19) | −0.0001 (14) | 0.0024 (15) | 0.0039 (14) |
N4 | 0.0407 (19) | 0.044 (2) | 0.0412 (18) | −0.0039 (15) | 0.0012 (15) | 0.0006 (15) |
N5 | 0.054 (3) | 0.070 (3) | 0.073 (3) | 0.013 (2) | −0.009 (3) | 0.020 (3) |
C1 | 0.043 (2) | 0.041 (2) | 0.045 (2) | 0.0025 (18) | −0.0001 (18) | 0.0030 (18) |
C2 | 0.039 (2) | 0.038 (2) | 0.052 (2) | 0.0022 (17) | 0.0003 (18) | 0.0013 (18) |
C3 | 0.047 (3) | 0.047 (3) | 0.069 (3) | −0.006 (2) | −0.006 (2) | 0.001 (2) |
C4 | 0.047 (3) | 0.059 (3) | 0.069 (3) | 0.001 (2) | −0.013 (2) | −0.017 (2) |
C5 | 0.048 (3) | 0.062 (3) | 0.047 (2) | 0.011 (2) | −0.006 (2) | −0.008 (2) |
C6 | 0.050 (3) | 0.049 (3) | 0.049 (2) | 0.007 (2) | 0.001 (2) | 0.001 (2) |
C7 | 0.048 (2) | 0.039 (2) | 0.046 (2) | 0.0005 (18) | 0.0038 (19) | 0.0063 (18) |
C8 | 0.059 (3) | 0.037 (2) | 0.056 (3) | −0.0104 (19) | −0.002 (2) | 0.0039 (19) |
C9 | 0.048 (2) | 0.045 (2) | 0.048 (2) | −0.0052 (19) | 0.0023 (19) | −0.0033 (19) |
C10 | 0.057 (3) | 0.058 (3) | 0.073 (3) | −0.011 (2) | 0.000 (3) | −0.007 (3) |
C11 | 0.050 (3) | 0.079 (4) | 0.090 (4) | −0.008 (3) | −0.018 (3) | −0.008 (3) |
C12 | 0.061 (3) | 0.075 (4) | 0.077 (4) | 0.006 (3) | −0.021 (3) | 0.003 (3) |
C13 | 0.053 (3) | 0.060 (3) | 0.059 (3) | 0.003 (2) | −0.008 (2) | 0.005 (2) |
C14 | 0.042 (2) | 0.039 (2) | 0.044 (2) | −0.0001 (17) | 0.0021 (17) | 0.0001 (17) |
C15 | 0.040 (2) | 0.042 (2) | 0.045 (2) | −0.0029 (17) | 0.0010 (18) | −0.0010 (18) |
C16 | 0.066 (3) | 0.038 (2) | 0.063 (3) | 0.000 (2) | 0.004 (2) | −0.001 (2) |
C17 | 0.069 (3) | 0.051 (3) | 0.056 (3) | −0.001 (2) | 0.008 (2) | −0.013 (2) |
C18 | 0.050 (3) | 0.054 (3) | 0.044 (2) | −0.007 (2) | 0.0024 (19) | −0.003 (2) |
C19 | 0.046 (2) | 0.043 (2) | 0.048 (2) | −0.0025 (18) | 0.0051 (19) | 0.0023 (19) |
C20 | 0.047 (2) | 0.038 (2) | 0.043 (2) | −0.0007 (18) | 0.0007 (18) | 0.0073 (17) |
C21 | 0.066 (3) | 0.034 (2) | 0.045 (2) | −0.005 (2) | 0.004 (2) | −0.0015 (18) |
C22 | 0.051 (2) | 0.040 (2) | 0.044 (2) | −0.0035 (19) | −0.0023 (19) | −0.0015 (18) |
C23 | 0.069 (3) | 0.042 (2) | 0.070 (3) | 0.005 (2) | 0.003 (3) | −0.007 (2) |
C24 | 0.059 (3) | 0.067 (3) | 0.081 (4) | 0.008 (3) | 0.016 (3) | −0.017 (3) |
C25 | 0.062 (3) | 0.068 (3) | 0.067 (3) | −0.004 (3) | 0.018 (3) | −0.007 (3) |
C26 | 0.054 (3) | 0.050 (3) | 0.054 (3) | −0.007 (2) | 0.007 (2) | −0.001 (2) |
Mn1—O1 | 1.883 (3) | C7—H7 | 0.9300 |
Mn1—N1 | 1.892 (3) | C8—C9 | 1.500 (6) |
Mn1—N3 | 1.893 (3) | C8—H8A | 0.9700 |
Mn1—O2 | 1.901 (3) | C8—H8B | 0.9700 |
Mn1—N2 | 1.954 (3) | C9—C10 | 1.365 (6) |
Mn1—N4 | 1.958 (3) | C10—C11 | 1.380 (7) |
Br1—C5 | 1.905 (4) | C10—H10 | 0.9300 |
Br2—C18 | 1.903 (4) | C11—C12 | 1.360 (8) |
O1—C2 | 1.307 (5) | C11—H11 | 0.9300 |
O2—C15 | 1.309 (5) | C12—C13 | 1.371 (7) |
O3—N5 | 1.191 (10) | C12—H12 | 0.9300 |
O4—N5 | 1.212 (10) | C13—H13 | 0.9300 |
O5—N5 | 1.240 (10) | C14—C19 | 1.405 (6) |
O3'—N5 | 1.229 (11) | C14—C15 | 1.426 (5) |
O4'—N5 | 1.237 (10) | C14—C20 | 1.432 (5) |
O5'—N5 | 1.182 (11) | C15—C16 | 1.406 (6) |
N1—C7 | 1.276 (5) | C16—C17 | 1.366 (6) |
N1—C8 | 1.457 (5) | C16—H16 | 0.9300 |
N2—C13 | 1.338 (5) | C17—C18 | 1.388 (6) |
N2—C9 | 1.354 (5) | C17—H17 | 0.9300 |
N3—C20 | 1.276 (5) | C18—C19 | 1.363 (6) |
N3—C21 | 1.461 (5) | C19—H19 | 0.9300 |
N4—C26 | 1.339 (5) | C20—H20 | 0.9300 |
N4—C22 | 1.344 (5) | C21—C22 | 1.493 (6) |
C1—C6 | 1.404 (6) | C21—H21A | 0.9700 |
C1—C2 | 1.417 (6) | C21—H21B | 0.9700 |
C1—C7 | 1.448 (6) | C22—C23 | 1.368 (6) |
C2—C3 | 1.404 (6) | C23—C24 | 1.377 (7) |
C3—C4 | 1.372 (7) | C23—H23 | 0.9300 |
C3—H3 | 0.9300 | C24—C25 | 1.369 (7) |
C4—C5 | 1.382 (7) | C24—H24 | 0.9300 |
C4—H4 | 0.9300 | C25—C26 | 1.359 (6) |
C5—C6 | 1.354 (6) | C25—H25 | 0.9300 |
C6—H6 | 0.9300 | C26—H26 | 0.9300 |
O1—Mn1—N1 | 92.39 (13) | N1—C8—H8A | 110.1 |
O1—Mn1—N3 | 85.68 (13) | C9—C8—H8A | 110.1 |
N1—Mn1—N3 | 177.65 (14) | N1—C8—H8B | 110.1 |
O1—Mn1—O2 | 91.62 (13) | C9—C8—H8B | 110.1 |
N1—Mn1—O2 | 87.88 (13) | H8A—C8—H8B | 108.4 |
N3—Mn1—O2 | 93.50 (13) | N2—C9—C10 | 121.5 (4) |
O1—Mn1—N2 | 175.77 (13) | N2—C9—C8 | 114.6 (4) |
N1—Mn1—N2 | 83.41 (14) | C10—C9—C8 | 124.0 (4) |
N3—Mn1—N2 | 98.51 (14) | C9—C10—C11 | 119.1 (5) |
O2—Mn1—N2 | 88.75 (13) | C9—C10—H10 | 120.4 |
O1—Mn1—N4 | 90.54 (13) | C11—C10—H10 | 120.4 |
N1—Mn1—N4 | 95.65 (14) | C12—C11—C10 | 119.3 (5) |
N3—Mn1—N4 | 83.05 (14) | C12—C11—H11 | 120.4 |
O2—Mn1—N4 | 175.78 (13) | C10—C11—H11 | 120.4 |
N2—Mn1—N4 | 89.37 (14) | C11—C12—C13 | 119.7 (5) |
C2—O1—Mn1 | 122.0 (3) | C11—C12—H12 | 120.2 |
C15—O2—Mn1 | 123.6 (2) | C13—C12—H12 | 120.2 |
C7—N1—C8 | 120.0 (3) | N2—C13—C12 | 121.6 (5) |
C7—N1—Mn1 | 126.7 (3) | N2—C13—H13 | 119.2 |
C8—N1—Mn1 | 113.4 (3) | C12—C13—H13 | 119.2 |
C13—N2—C9 | 118.9 (4) | C19—C14—C15 | 120.4 (4) |
C13—N2—Mn1 | 126.9 (3) | C19—C14—C20 | 117.5 (4) |
C9—N2—Mn1 | 114.1 (3) | C15—C14—C20 | 122.1 (4) |
C20—N3—C21 | 119.6 (3) | O2—C15—C16 | 119.5 (4) |
C20—N3—Mn1 | 127.0 (3) | O2—C15—C14 | 124.4 (4) |
C21—N3—Mn1 | 113.1 (2) | C16—C15—C14 | 116.1 (4) |
C26—N4—C22 | 118.3 (4) | C17—C16—C15 | 122.8 (4) |
C26—N4—Mn1 | 127.2 (3) | C17—C16—H16 | 118.6 |
C22—N4—Mn1 | 114.3 (3) | C15—C16—H16 | 118.6 |
O5'—N5—O3 | 144.9 (15) | C16—C17—C18 | 119.9 (4) |
O5'—N5—O4 | 90.1 (13) | C16—C17—H17 | 120.0 |
O3—N5—O4 | 124.8 (11) | C18—C17—H17 | 120.0 |
O5'—N5—O3' | 122.1 (12) | C19—C18—C17 | 120.2 (4) |
O4—N5—O3' | 147.8 (12) | C19—C18—Br2 | 119.2 (3) |
O5'—N5—O4' | 122.2 (11) | C17—C18—Br2 | 120.5 (3) |
O3—N5—O4' | 92.8 (13) | C18—C19—C14 | 120.5 (4) |
O3'—N5—O4' | 115.7 (11) | C18—C19—H19 | 119.7 |
O3—N5—O5 | 119.1 (11) | C14—C19—H19 | 119.7 |
O4—N5—O5 | 116.1 (10) | N3—C20—C14 | 124.0 (4) |
O3'—N5—O5 | 96.1 (14) | N3—C20—H20 | 118.0 |
O4'—N5—O5 | 148.1 (13) | C14—C20—H20 | 118.0 |
C6—C1—C2 | 121.0 (4) | N3—C21—C22 | 107.7 (3) |
C6—C1—C7 | 118.0 (4) | N3—C21—H21A | 110.2 |
C2—C1—C7 | 121.0 (4) | C22—C21—H21A | 110.2 |
O1—C2—C3 | 118.7 (4) | N3—C21—H21B | 110.2 |
O1—C2—C1 | 124.6 (4) | C22—C21—H21B | 110.2 |
C3—C2—C1 | 116.7 (4) | H21A—C21—H21B | 108.5 |
C4—C3—C2 | 121.4 (4) | N4—C22—C23 | 121.6 (4) |
C4—C3—H3 | 119.3 | N4—C22—C21 | 114.6 (4) |
C2—C3—H3 | 119.3 | C23—C22—C21 | 123.8 (4) |
C3—C4—C5 | 120.5 (4) | C22—C23—C24 | 119.5 (5) |
C3—C4—H4 | 119.8 | C22—C23—H23 | 120.2 |
C5—C4—H4 | 119.8 | C24—C23—H23 | 120.2 |
C6—C5—C4 | 120.7 (4) | C25—C24—C23 | 118.5 (5) |
C6—C5—Br1 | 120.2 (4) | C25—C24—H24 | 120.7 |
C4—C5—Br1 | 119.0 (3) | C23—C24—H24 | 120.7 |
C5—C6—C1 | 119.7 (4) | C26—C25—C24 | 119.5 (5) |
C5—C6—H6 | 120.1 | C26—C25—H25 | 120.2 |
C1—C6—H6 | 120.1 | C24—C25—H25 | 120.2 |
N1—C7—C1 | 123.2 (4) | N4—C26—C25 | 122.4 (4) |
N1—C7—H7 | 118.4 | N4—C26—H26 | 118.8 |
C1—C7—H7 | 118.4 | C25—C26—H26 | 118.8 |
N1—C8—C9 | 108.0 (3) | ||
N1—Mn1—O1—C2 | −34.1 (3) | C7—C1—C6—C5 | 180.0 (4) |
N3—Mn1—O1—C2 | 144.6 (3) | C8—N1—C7—C1 | 178.9 (4) |
O2—Mn1—O1—C2 | −122.0 (3) | Mn1—N1—C7—C1 | −1.1 (6) |
N4—Mn1—O1—C2 | 61.6 (3) | C6—C1—C7—N1 | 166.2 (4) |
O1—Mn1—O2—C15 | −110.4 (3) | C2—C1—C7—N1 | −15.0 (6) |
N1—Mn1—O2—C15 | 157.3 (3) | C7—N1—C8—C9 | 152.0 (4) |
N3—Mn1—O2—C15 | −24.6 (3) | Mn1—N1—C8—C9 | −28.0 (4) |
N2—Mn1—O2—C15 | 73.8 (3) | C13—N2—C9—C10 | −1.1 (6) |
O1—Mn1—N1—C7 | 21.1 (4) | Mn1—N2—C9—C10 | 176.2 (4) |
O2—Mn1—N1—C7 | 112.6 (4) | C13—N2—C9—C8 | 178.9 (4) |
N2—Mn1—N1—C7 | −158.4 (4) | Mn1—N2—C9—C8 | −3.8 (5) |
N4—Mn1—N1—C7 | −69.7 (4) | N1—C8—C9—N2 | 20.1 (5) |
O1—Mn1—N1—C8 | −158.9 (3) | N1—C8—C9—C10 | −159.9 (4) |
N3—Mn1—N1—C8 | 166 (3) | N2—C9—C10—C11 | 0.9 (7) |
O2—Mn1—N1—C8 | −67.3 (3) | C8—C9—C10—C11 | −179.1 (5) |
N2—Mn1—N1—C8 | 21.6 (3) | C9—C10—C11—C12 | 0.2 (8) |
N4—Mn1—N1—C8 | 110.3 (3) | C10—C11—C12—C13 | −1.0 (9) |
N1—Mn1—N2—C13 | 167.2 (4) | C9—N2—C13—C12 | 0.3 (7) |
N3—Mn1—N2—C13 | −11.4 (4) | Mn1—N2—C13—C12 | −176.7 (4) |
O2—Mn1—N2—C13 | −104.8 (4) | C11—C12—C13—N2 | 0.8 (8) |
N4—Mn1—N2—C13 | 71.5 (4) | Mn1—O2—C15—C16 | −160.7 (3) |
N1—Mn1—N2—C9 | −9.9 (3) | Mn1—O2—C15—C14 | 21.3 (5) |
N3—Mn1—N2—C9 | 171.5 (3) | C19—C14—C15—O2 | 178.7 (4) |
O2—Mn1—N2—C9 | 78.1 (3) | C20—C14—C15—O2 | 0.8 (6) |
N4—Mn1—N2—C9 | −105.6 (3) | C19—C14—C15—C16 | 0.7 (6) |
O1—Mn1—N3—C20 | 104.6 (4) | C20—C14—C15—C16 | −177.3 (4) |
O2—Mn1—N3—C20 | 13.3 (4) | O2—C15—C16—C17 | −179.0 (4) |
N2—Mn1—N3—C20 | −76.0 (4) | C14—C15—C16—C17 | −0.8 (7) |
N4—Mn1—N3—C20 | −164.3 (4) | C15—C16—C17—C18 | −0.3 (7) |
O1—Mn1—N3—C21 | −69.2 (3) | C16—C17—C18—C19 | 1.6 (7) |
O2—Mn1—N3—C21 | −160.6 (3) | C16—C17—C18—Br2 | −179.6 (4) |
N2—Mn1—N3—C21 | 110.2 (3) | C17—C18—C19—C14 | −1.8 (7) |
N4—Mn1—N3—C21 | 21.9 (3) | Br2—C18—C19—C14 | 179.4 (3) |
O1—Mn1—N4—C26 | −108.8 (4) | C15—C14—C19—C18 | 0.6 (6) |
N1—Mn1—N4—C26 | −16.4 (4) | C20—C14—C19—C18 | 178.7 (4) |
N3—Mn1—N4—C26 | 165.6 (4) | C21—N3—C20—C14 | 176.1 (4) |
N2—Mn1—N4—C26 | 66.9 (4) | Mn1—N3—C20—C14 | 2.7 (6) |
O1—Mn1—N4—C22 | 76.8 (3) | C19—C14—C20—N3 | 168.2 (4) |
N1—Mn1—N4—C22 | 169.3 (3) | C15—C14—C20—N3 | −13.8 (6) |
N3—Mn1—N4—C22 | −8.8 (3) | C20—N3—C21—C22 | 156.1 (4) |
N2—Mn1—N4—C22 | −107.4 (3) | Mn1—N3—C21—C22 | −29.5 (4) |
Mn1—O1—C2—C3 | −152.4 (3) | C26—N4—C22—C23 | −1.7 (6) |
Mn1—O1—C2—C1 | 29.1 (5) | Mn1—N4—C22—C23 | 173.2 (3) |
C6—C1—C2—O1 | 178.5 (4) | C26—N4—C22—C21 | 179.0 (4) |
C7—C1—C2—O1 | −0.2 (6) | Mn1—N4—C22—C21 | −6.1 (4) |
C6—C1—C2—C3 | −0.1 (6) | N3—C21—C22—N4 | 22.6 (5) |
C7—C1—C2—C3 | −178.8 (4) | N3—C21—C22—C23 | −156.7 (4) |
O1—C2—C3—C4 | 180.0 (4) | N4—C22—C23—C24 | 2.1 (7) |
C1—C2—C3—C4 | −1.3 (6) | C21—C22—C23—C24 | −178.7 (5) |
C2—C3—C4—C5 | 1.6 (7) | C22—C23—C24—C25 | −0.4 (8) |
C3—C4—C5—C6 | −0.4 (7) | C23—C24—C25—C26 | −1.5 (8) |
C3—C4—C5—Br1 | 178.8 (3) | C22—N4—C26—C25 | −0.3 (7) |
C4—C5—C6—C1 | −1.0 (7) | Mn1—N4—C26—C25 | −174.5 (4) |
Br1—C5—C6—C1 | 179.8 (3) | C24—C25—C26—N4 | 1.9 (8) |
C2—C1—C6—C5 | 1.2 (6) |