Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806034556/ez2028sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806034556/ez2028Isup2.hkl |
CCDC reference: 614328
Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.
[Mn3(C10H8O4)3(C10H8N2)2] | Z = 1 |
Mr = 1053.68 | F(000) = 539 |
Triclinic, P1 | Dx = 1.498 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 8.604 (3) Å | Cell parameters from 2138 reflections |
b = 11.207 (3) Å | θ = 2.4–25.8° |
c = 13.444 (4) Å | µ = 0.87 mm−1 |
α = 111.958 (3)° | T = 298 K |
β = 100.522 (4)° | Block, yellow |
γ = 94.042 (4)° | 0.28 × 0.15 × 0.13 mm |
V = 1168.4 (6) Å3 |
Bruker SMART CCD area-detector diffractometer | 4060 independent reflections |
Radiation source: fine-focus sealed tube | 2912 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.021 |
φ and ω scans | θmax = 25.0°, θmin = 1.7° |
Absorption correction: multi-scan (SADABS; Bruker, 1998) | h = −6→10 |
Tmin = 0.793, Tmax = 0.896 | k = −13→12 |
6109 measured reflections | l = −15→15 |
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)] = 0.045 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.136 | H-atom parameters constrained |
S = 1.00 | w = 1/[σ2(Fo2) + (0.0765P)2 + 0.5301P] where P = (Fo2 + 2Fc2)/3 |
4060 reflections | (Δ/σ)max < 0.001 |
313 parameters | Δρmax = 1.27 e Å−3 |
0 restraints | Δρmin = −0.25 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 | ||
Mn1 | 0.5000 | 0.5000 | 0.5000 | 0.0289 (2) | |
Mn2 | 0.22039 (7) | 0.37896 (5) | 0.23004 (4) | 0.03285 (19) | |
N1 | 0.1455 (4) | 0.2962 (3) | 0.0446 (2) | 0.0393 (8) | |
N2 | −0.0258 (4) | 0.4236 (3) | 0.1851 (3) | 0.0384 (8) | |
O1 | 0.2889 (3) | 0.3714 (3) | 0.4887 (2) | 0.0407 (6) | |
O2 | 0.1299 (4) | 0.2866 (3) | 0.3215 (2) | 0.0523 (8) | |
O3 | 0.3546 (3) | 0.5509 (2) | 0.37072 (19) | 0.0364 (6) | |
O4 | 0.3247 (4) | 0.5780 (3) | 0.2165 (2) | 0.0514 (8) | |
O5 | 0.5746 (3) | 0.3382 (3) | 0.3799 (2) | 0.0447 (7) | |
O6 | 0.4176 (4) | 0.2821 (3) | 0.2147 (2) | 0.0555 (9) | |
C1 | 0.1789 (5) | 0.2906 (3) | 0.4162 (3) | 0.0330 (8) | |
C2 | 0.0977 (5) | 0.1846 (4) | 0.4427 (3) | 0.0414 (10) | |
H2A | 0.0898 | 0.2205 | 0.5191 | 0.050* | |
H2B | −0.0099 | 0.1547 | 0.3971 | 0.050* | |
C3 | 0.1889 (4) | 0.0704 (3) | 0.4233 (3) | 0.0344 (9) | |
C4 | 0.2021 (5) | 0.0042 (4) | 0.4930 (3) | 0.0437 (10) | |
H4 | 0.1530 | 0.0300 | 0.5523 | 0.052* | |
C5 | 0.2640 (5) | 0.0266 (4) | 0.3362 (3) | 0.0435 (10) | |
H5 | 0.2560 | 0.0672 | 0.2869 | 0.052* | |
C6 | 0.3771 (4) | 0.6209 (3) | 0.3179 (3) | 0.0325 (8) | |
C7 | 0.4686 (5) | 0.7559 (4) | 0.3793 (4) | 0.0562 (12) | |
H7A | 0.5234 | 0.7643 | 0.4520 | 0.067* | |
H7B | 0.5493 | 0.7685 | 0.3409 | 0.067* | |
C8 | 0.3652 (5) | 0.8606 (4) | 0.3915 (3) | 0.0391 (10) | |
C9 | 0.3496 (5) | 0.9252 (4) | 0.3206 (4) | 0.0448 (10) | |
H9 | 0.3984 | 0.8989 | 0.2613 | 0.054* | |
C10 | 0.2870 (5) | 0.9006 (4) | 0.4756 (4) | 0.0465 (11) | |
H10 | 0.2911 | 0.8568 | 0.5225 | 0.056* | |
C11 | 0.5289 (5) | 0.2680 (4) | 0.2803 (3) | 0.0348 (9) | |
C12 | 0.6197 (5) | 0.1540 (4) | 0.2351 (3) | 0.0441 (10) | |
H12A | 0.7317 | 0.1879 | 0.2482 | 0.053* | |
H12B | 0.6125 | 0.0986 | 0.2754 | 0.053* | |
C13 | 0.5585 (5) | 0.0723 (3) | 0.1136 (3) | 0.0353 (9) | |
C14 | 0.4153 (5) | −0.0095 (4) | 0.0732 (3) | 0.0433 (10) | |
H14 | 0.3558 | −0.0173 | 0.1223 | 0.052* | |
C15 | 0.6434 (5) | 0.0809 (4) | 0.0386 (3) | 0.0421 (10) | |
H15 | 0.7413 | 0.1352 | 0.0632 | 0.050* | |
C16 | 0.2365 (6) | 0.2327 (4) | −0.0221 (3) | 0.0521 (12) | |
H16 | 0.3312 | 0.2116 | 0.0083 | 0.063* | |
C17 | 0.1950 (6) | 0.1975 (5) | −0.1342 (3) | 0.0589 (13) | |
H17 | 0.2609 | 0.1532 | −0.1786 | 0.071* | |
C18 | 0.0566 (6) | 0.2280 (5) | −0.1796 (4) | 0.0580 (13) | |
H18 | 0.0270 | 0.2050 | −0.2552 | 0.070* | |
C19 | −0.0392 (5) | 0.2936 (4) | −0.1120 (3) | 0.0474 (11) | |
H19 | −0.1337 | 0.3160 | −0.1413 | 0.057* | |
C20 | 0.0071 (5) | 0.3253 (4) | −0.0005 (3) | 0.0376 (9) | |
C21 | −0.0917 (5) | 0.3923 (4) | 0.0786 (3) | 0.0360 (9) | |
C22 | −0.2446 (5) | 0.4166 (5) | 0.0448 (4) | 0.0543 (12) | |
H22 | −0.2883 | 0.3954 | −0.0294 | 0.065* | |
C23 | −0.3299 (5) | 0.4723 (5) | 0.1228 (4) | 0.0587 (13) | |
H23 | −0.4329 | 0.4881 | 0.1016 | 0.070* | |
C24 | −0.2632 (6) | 0.5049 (5) | 0.2320 (4) | 0.0622 (14) | |
H24 | −0.3190 | 0.5434 | 0.2859 | 0.075* | |
C25 | −0.1101 (6) | 0.4785 (5) | 0.2596 (4) | 0.0548 (12) | |
H25 | −0.0641 | 0.5001 | 0.3335 | 0.066* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Mn1 | 0.0422 (5) | 0.0229 (4) | 0.0177 (4) | 0.0039 (3) | 0.0026 (3) | 0.0056 (3) |
Mn2 | 0.0398 (4) | 0.0278 (3) | 0.0251 (3) | 0.0081 (3) | −0.0024 (2) | 0.0080 (2) |
N1 | 0.048 (2) | 0.0368 (18) | 0.0286 (17) | 0.0130 (16) | −0.0025 (15) | 0.0113 (14) |
N2 | 0.0398 (19) | 0.0438 (19) | 0.0337 (18) | 0.0121 (16) | 0.0038 (15) | 0.0187 (15) |
O1 | 0.0431 (16) | 0.0377 (15) | 0.0393 (16) | 0.0008 (13) | 0.0029 (13) | 0.0168 (13) |
O2 | 0.061 (2) | 0.0482 (17) | 0.0458 (18) | −0.0036 (15) | −0.0072 (15) | 0.0278 (15) |
O3 | 0.0490 (16) | 0.0289 (13) | 0.0286 (14) | 0.0009 (12) | 0.0001 (12) | 0.0133 (11) |
O4 | 0.0591 (19) | 0.0609 (19) | 0.0372 (17) | 0.0066 (16) | −0.0029 (15) | 0.0294 (15) |
O5 | 0.0564 (18) | 0.0413 (15) | 0.0236 (15) | 0.0176 (14) | 0.0024 (13) | 0.0002 (12) |
O6 | 0.065 (2) | 0.0540 (18) | 0.0304 (15) | 0.0358 (16) | −0.0054 (14) | 0.0000 (13) |
C1 | 0.035 (2) | 0.0292 (19) | 0.036 (2) | 0.0095 (17) | 0.0076 (18) | 0.0136 (17) |
C2 | 0.041 (2) | 0.038 (2) | 0.051 (3) | 0.0025 (18) | 0.012 (2) | 0.024 (2) |
C3 | 0.037 (2) | 0.0285 (19) | 0.035 (2) | −0.0063 (16) | −0.0016 (17) | 0.0157 (16) |
C4 | 0.050 (3) | 0.045 (2) | 0.038 (2) | −0.003 (2) | 0.007 (2) | 0.0223 (19) |
C5 | 0.066 (3) | 0.036 (2) | 0.040 (2) | 0.013 (2) | 0.012 (2) | 0.0271 (19) |
C6 | 0.030 (2) | 0.0303 (19) | 0.037 (2) | 0.0078 (16) | −0.0010 (17) | 0.0166 (17) |
C7 | 0.047 (3) | 0.038 (2) | 0.079 (3) | 0.002 (2) | −0.012 (2) | 0.031 (2) |
C8 | 0.037 (2) | 0.0270 (19) | 0.048 (2) | −0.0042 (17) | −0.0087 (19) | 0.0190 (18) |
C9 | 0.059 (3) | 0.037 (2) | 0.043 (2) | 0.009 (2) | 0.012 (2) | 0.0196 (19) |
C10 | 0.052 (3) | 0.045 (2) | 0.047 (3) | −0.006 (2) | −0.007 (2) | 0.033 (2) |
C11 | 0.042 (2) | 0.0315 (19) | 0.025 (2) | 0.0086 (17) | 0.0060 (18) | 0.0054 (16) |
C12 | 0.061 (3) | 0.042 (2) | 0.0209 (19) | 0.025 (2) | 0.0016 (18) | 0.0031 (17) |
C13 | 0.048 (2) | 0.032 (2) | 0.0246 (19) | 0.0201 (19) | 0.0090 (18) | 0.0074 (16) |
C14 | 0.061 (3) | 0.041 (2) | 0.029 (2) | 0.011 (2) | 0.017 (2) | 0.0116 (18) |
C15 | 0.049 (3) | 0.034 (2) | 0.036 (2) | 0.0096 (19) | 0.007 (2) | 0.0071 (18) |
C16 | 0.063 (3) | 0.053 (3) | 0.037 (2) | 0.026 (2) | 0.008 (2) | 0.012 (2) |
C17 | 0.079 (4) | 0.060 (3) | 0.033 (2) | 0.024 (3) | 0.012 (2) | 0.010 (2) |
C18 | 0.080 (4) | 0.058 (3) | 0.028 (2) | 0.008 (3) | −0.002 (2) | 0.014 (2) |
C19 | 0.056 (3) | 0.048 (2) | 0.033 (2) | 0.006 (2) | −0.005 (2) | 0.017 (2) |
C20 | 0.043 (2) | 0.033 (2) | 0.033 (2) | 0.0041 (18) | −0.0029 (18) | 0.0152 (17) |
C21 | 0.037 (2) | 0.033 (2) | 0.038 (2) | 0.0041 (17) | −0.0006 (18) | 0.0182 (17) |
C22 | 0.049 (3) | 0.065 (3) | 0.049 (3) | 0.007 (2) | −0.007 (2) | 0.030 (2) |
C23 | 0.039 (3) | 0.080 (3) | 0.067 (3) | 0.018 (2) | 0.010 (2) | 0.040 (3) |
C24 | 0.054 (3) | 0.081 (4) | 0.077 (4) | 0.031 (3) | 0.030 (3) | 0.048 (3) |
C25 | 0.057 (3) | 0.071 (3) | 0.050 (3) | 0.023 (3) | 0.017 (2) | 0.035 (3) |
Mn1—O5 | 2.158 (2) | C7—H7B | 0.9700 |
Mn1—O5i | 2.158 (2) | C8—C10 | 1.368 (6) |
Mn1—O1i | 2.183 (3) | C8—C9 | 1.391 (5) |
Mn1—O1 | 2.183 (3) | C9—C5iii | 1.369 (5) |
Mn1—O3 | 2.227 (2) | C9—H9 | 0.9300 |
Mn1—O3i | 2.227 (2) | C10—C4iii | 1.384 (6) |
Mn2—O6 | 2.078 (3) | C10—H10 | 0.9300 |
Mn2—O2 | 2.092 (3) | C11—C12 | 1.532 (5) |
Mn2—O3 | 2.188 (2) | C12—C13 | 1.511 (5) |
Mn2—N2 | 2.238 (3) | C12—H12A | 0.9700 |
Mn2—N1 | 2.256 (3) | C12—H12B | 0.9700 |
Mn2—O4 | 2.428 (3) | C13—C14 | 1.370 (6) |
N1—C16 | 1.335 (5) | C13—C15 | 1.375 (5) |
N1—C20 | 1.353 (5) | C14—C15iv | 1.386 (5) |
N2—C25 | 1.333 (5) | C14—H14 | 0.9300 |
N2—C21 | 1.339 (5) | C15—C14iv | 1.386 (5) |
O1—C1 | 1.244 (4) | C15—H15 | 0.9300 |
O2—C1 | 1.249 (4) | C16—C17 | 1.377 (6) |
O3—C6 | 1.266 (4) | C16—H16 | 0.9300 |
O4—C6 | 1.244 (4) | C17—C18 | 1.363 (6) |
O5—C11 | 1.242 (4) | C17—H17 | 0.9300 |
O6—C11 | 1.240 (4) | C18—C19 | 1.380 (6) |
C1—C2 | 1.521 (5) | C18—H18 | 0.9300 |
C2—C3 | 1.513 (5) | C19—C20 | 1.377 (5) |
C2—H2A | 0.9700 | C19—H19 | 0.9300 |
C2—H2B | 0.9700 | C20—C21 | 1.496 (5) |
C3—C5 | 1.386 (5) | C21—C22 | 1.392 (6) |
C3—C4 | 1.391 (5) | C22—C23 | 1.373 (6) |
C4—C10ii | 1.384 (6) | C22—H22 | 0.9300 |
C4—H4 | 0.9300 | C23—C24 | 1.372 (7) |
C5—C9ii | 1.369 (5) | C23—H23 | 0.9300 |
C5—H5 | 0.9300 | C24—C25 | 1.385 (6) |
C6—C7 | 1.501 (6) | C24—H24 | 0.9300 |
C7—C8 | 1.501 (5) | C25—H25 | 0.9300 |
C7—H7A | 0.9700 | ||
O5—Mn1—O5i | 180.00 (12) | O3—C6—C7 | 119.0 (4) |
O5—Mn1—O1i | 90.43 (11) | C8—C7—C6 | 113.4 (3) |
O5i—Mn1—O1i | 89.57 (11) | C8—C7—H7A | 108.9 |
O5—Mn1—O1 | 89.57 (11) | C6—C7—H7A | 108.9 |
O5i—Mn1—O1 | 90.43 (11) | C8—C7—H7B | 108.9 |
O1i—Mn1—O1 | 180.000 (1) | C6—C7—H7B | 108.9 |
O5—Mn1—O3 | 92.58 (10) | H7A—C7—H7B | 107.7 |
O5i—Mn1—O3 | 87.42 (9) | C10—C8—C9 | 116.8 (4) |
O1i—Mn1—O3 | 91.70 (10) | C10—C8—C7 | 121.5 (4) |
O1—Mn1—O3 | 88.30 (10) | C9—C8—C7 | 121.6 (4) |
O5—Mn1—O3i | 87.42 (9) | C5iii—C9—C8 | 121.6 (4) |
O5i—Mn1—O3i | 92.58 (9) | C5iii—C9—H9 | 119.2 |
O1i—Mn1—O3i | 88.30 (10) | C8—C9—H9 | 119.2 |
O1—Mn1—O3i | 91.70 (10) | C8—C10—C4iii | 122.1 (4) |
O3—Mn1—O3i | 180.000 (1) | C8—C10—H10 | 119.0 |
O6—Mn2—O2 | 94.96 (13) | C4iii—C10—H10 | 119.0 |
O6—Mn2—O3 | 93.67 (11) | O6—C11—O5 | 126.1 (3) |
O2—Mn2—O3 | 96.55 (11) | O6—C11—C12 | 117.4 (3) |
O6—Mn2—N2 | 158.67 (11) | O5—C11—C12 | 116.5 (3) |
O2—Mn2—N2 | 87.72 (12) | C13—C12—C11 | 114.0 (3) |
O3—Mn2—N2 | 107.08 (11) | C13—C12—H12A | 108.8 |
O6—Mn2—N1 | 88.13 (11) | C11—C12—H12A | 108.8 |
O2—Mn2—N1 | 121.26 (12) | C13—C12—H12B | 108.8 |
O3—Mn2—N1 | 141.87 (11) | C11—C12—H12B | 108.8 |
N2—Mn2—N1 | 72.56 (12) | H12A—C12—H12B | 107.7 |
O6—Mn2—O4 | 99.96 (12) | C14—C13—C15 | 117.4 (3) |
O2—Mn2—O4 | 149.27 (11) | C14—C13—C12 | 121.9 (4) |
O3—Mn2—O4 | 56.02 (9) | C15—C13—C12 | 120.7 (4) |
N2—Mn2—O4 | 87.96 (11) | C13—C14—C15iv | 121.9 (4) |
N1—Mn2—O4 | 86.14 (11) | C13—C14—H14 | 119.1 |
C16—N1—C20 | 118.4 (3) | C15iv—C14—H14 | 119.1 |
C16—N1—Mn2 | 124.0 (3) | C13—C15—C14iv | 120.7 (4) |
C20—N1—Mn2 | 117.1 (2) | C13—C15—H15 | 119.6 |
C25—N2—C21 | 118.7 (3) | C14iv—C15—H15 | 119.6 |
C25—N2—Mn2 | 122.8 (3) | N1—C16—C17 | 122.2 (4) |
C21—N2—Mn2 | 118.5 (2) | N1—C16—H16 | 118.9 |
C1—O1—Mn1 | 138.5 (2) | C17—C16—H16 | 118.9 |
C1—O2—Mn2 | 133.0 (3) | C18—C17—C16 | 119.4 (4) |
C6—O3—Mn2 | 97.1 (2) | C18—C17—H17 | 120.3 |
C6—O3—Mn1 | 137.0 (2) | C16—C17—H17 | 120.3 |
Mn2—O3—Mn1 | 112.48 (10) | C17—C18—C19 | 119.2 (4) |
C6—O4—Mn2 | 86.5 (2) | C17—C18—H18 | 120.4 |
C11—O5—Mn1 | 137.6 (2) | C19—C18—H18 | 120.4 |
C11—O6—Mn2 | 134.8 (3) | C20—C19—C18 | 119.0 (4) |
O1—C1—O2 | 125.7 (4) | C20—C19—H19 | 120.5 |
O1—C1—C2 | 118.1 (3) | C18—C19—H19 | 120.5 |
O2—C1—C2 | 116.2 (3) | N1—C20—C19 | 121.7 (4) |
C3—C2—C1 | 111.7 (3) | N1—C20—C21 | 115.5 (3) |
C3—C2—H2A | 109.3 | C19—C20—C21 | 122.8 (4) |
C1—C2—H2A | 109.3 | N2—C21—C22 | 121.5 (4) |
C3—C2—H2B | 109.3 | N2—C21—C20 | 115.6 (3) |
C1—C2—H2B | 109.3 | C22—C21—C20 | 122.8 (4) |
H2A—C2—H2B | 107.9 | C23—C22—C21 | 118.8 (4) |
C5—C3—C4 | 116.6 (4) | C23—C22—H22 | 120.6 |
C5—C3—C2 | 122.2 (3) | C21—C22—H22 | 120.6 |
C4—C3—C2 | 121.3 (4) | C24—C23—C22 | 120.0 (4) |
C10ii—C4—C3 | 121.1 (4) | C24—C23—H23 | 120.0 |
C10ii—C4—H4 | 119.5 | C22—C23—H23 | 120.0 |
C3—C4—H4 | 119.5 | C23—C24—C25 | 118.0 (4) |
C9ii—C5—C3 | 121.8 (4) | C23—C24—H24 | 121.0 |
C9ii—C5—H5 | 119.1 | C25—C24—H24 | 121.0 |
C3—C5—H5 | 119.1 | N2—C25—C24 | 122.9 (4) |
O4—C6—O3 | 120.4 (3) | N2—C25—H25 | 118.5 |
O4—C6—C7 | 120.6 (4) | C24—C25—H25 | 118.5 |
O6—Mn2—N1—C16 | −9.0 (3) | Mn2—O2—C1—O1 | 12.3 (6) |
O2—Mn2—N1—C16 | −103.7 (3) | Mn2—O2—C1—C2 | −166.2 (3) |
O3—Mn2—N1—C16 | 84.5 (4) | O1—C1—C2—C3 | −84.3 (4) |
N2—Mn2—N1—C16 | −179.9 (4) | O2—C1—C2—C3 | 94.3 (4) |
O4—Mn2—N1—C16 | 91.1 (3) | C1—C2—C3—C5 | −37.4 (5) |
O6—Mn2—N1—C20 | 178.2 (3) | C1—C2—C3—C4 | 142.3 (4) |
O2—Mn2—N1—C20 | 83.5 (3) | C5—C3—C4—C10ii | 0.4 (6) |
O3—Mn2—N1—C20 | −88.2 (3) | C2—C3—C4—C10ii | −179.3 (4) |
N2—Mn2—N1—C20 | 7.4 (3) | C4—C3—C5—C9ii | −1.3 (6) |
O4—Mn2—N1—C20 | −81.7 (3) | C2—C3—C5—C9ii | 178.4 (4) |
O6—Mn2—N2—C25 | 148.3 (4) | Mn2—O4—C6—O3 | 0.1 (3) |
O2—Mn2—N2—C25 | 50.5 (3) | Mn2—O4—C6—C7 | 179.8 (3) |
O3—Mn2—N2—C25 | −45.7 (3) | Mn2—O3—C6—O4 | −0.2 (4) |
N1—Mn2—N2—C25 | 174.3 (4) | Mn1—O3—C6—O4 | 134.1 (3) |
O4—Mn2—N2—C25 | −99.1 (3) | Mn2—O3—C6—C7 | −179.8 (3) |
O6—Mn2—N2—C21 | −30.9 (5) | Mn1—O3—C6—C7 | −45.6 (5) |
O2—Mn2—N2—C21 | −128.7 (3) | O4—C6—C7—C8 | 73.5 (5) |
O3—Mn2—N2—C21 | 135.2 (3) | O3—C6—C7—C8 | −106.8 (4) |
N1—Mn2—N2—C21 | −4.8 (3) | C6—C7—C8—C10 | 85.1 (5) |
O4—Mn2—N2—C21 | 81.8 (3) | C6—C7—C8—C9 | −97.6 (5) |
O5—Mn1—O1—C1 | −50.1 (4) | C10—C8—C9—C5iii | 1.9 (6) |
O5i—Mn1—O1—C1 | 129.9 (4) | C7—C8—C9—C5iii | −175.5 (4) |
O3—Mn1—O1—C1 | 42.5 (4) | C9—C8—C10—C4iii | −2.9 (6) |
O3i—Mn1—O1—C1 | −137.5 (4) | C7—C8—C10—C4iii | 174.6 (4) |
O6—Mn2—O2—C1 | 67.4 (4) | Mn2—O6—C11—O5 | −19.8 (7) |
O3—Mn2—O2—C1 | −26.8 (4) | Mn2—O6—C11—C12 | 160.5 (3) |
N2—Mn2—O2—C1 | −133.8 (4) | Mn1—O5—C11—O6 | 5.8 (7) |
N1—Mn2—O2—C1 | 158.2 (3) | Mn1—O5—C11—C12 | −174.5 (3) |
O4—Mn2—O2—C1 | −51.6 (5) | O6—C11—C12—C13 | −0.2 (6) |
O6—Mn2—O3—C6 | 99.6 (2) | O5—C11—C12—C13 | 180.0 (4) |
O2—Mn2—O3—C6 | −164.9 (2) | C11—C12—C13—C14 | −72.1 (5) |
N2—Mn2—O3—C6 | −75.3 (2) | C11—C12—C13—C15 | 105.8 (4) |
N1—Mn2—O3—C6 | 8.0 (3) | C15—C13—C14—C15iv | −0.3 (6) |
O4—Mn2—O3—C6 | 0.1 (2) | C12—C13—C14—C15iv | 177.7 (3) |
O6—Mn2—O3—Mn1 | −48.45 (14) | C14—C13—C15—C14iv | 0.3 (6) |
O2—Mn2—O3—Mn1 | 46.98 (14) | C12—C13—C15—C14iv | −177.7 (3) |
N2—Mn2—O3—Mn1 | 136.60 (12) | C20—N1—C16—C17 | 0.7 (7) |
N1—Mn2—O3—Mn1 | −140.08 (15) | Mn2—N1—C16—C17 | −172.0 (4) |
O4—Mn2—O3—Mn1 | −147.99 (17) | N1—C16—C17—C18 | 0.0 (7) |
O5—Mn1—O3—C6 | −88.2 (3) | C16—C17—C18—C19 | −0.1 (7) |
O5i—Mn1—O3—C6 | 91.8 (3) | C17—C18—C19—C20 | −0.6 (7) |
O1i—Mn1—O3—C6 | 2.3 (3) | C16—N1—C20—C19 | −1.4 (6) |
O1—Mn1—O3—C6 | −177.7 (3) | Mn2—N1—C20—C19 | 171.8 (3) |
O5—Mn1—O3—Mn2 | 41.55 (13) | C16—N1—C20—C21 | 177.9 (3) |
O5i—Mn1—O3—Mn2 | −138.45 (13) | Mn2—N1—C20—C21 | −8.9 (4) |
O1i—Mn1—O3—Mn2 | 132.06 (12) | C18—C19—C20—N1 | 1.4 (6) |
O1—Mn1—O3—Mn2 | −47.94 (12) | C18—C19—C20—C21 | −177.9 (4) |
O6—Mn2—O4—C6 | −87.8 (2) | C25—N2—C21—C22 | 0.5 (6) |
O2—Mn2—O4—C6 | 30.1 (3) | Mn2—N2—C21—C22 | 179.6 (3) |
O3—Mn2—O4—C6 | −0.1 (2) | C25—N2—C21—C20 | −177.2 (4) |
N2—Mn2—O4—C6 | 112.1 (2) | Mn2—N2—C21—C20 | 2.0 (4) |
N1—Mn2—O4—C6 | −175.2 (2) | N1—C20—C21—N2 | 4.6 (5) |
O1i—Mn1—O5—C11 | −111.7 (4) | C19—C20—C21—N2 | −176.1 (4) |
O1—Mn1—O5—C11 | 68.3 (4) | N1—C20—C21—C22 | −173.0 (4) |
O3—Mn1—O5—C11 | −19.9 (4) | C19—C20—C21—C22 | 6.3 (6) |
O3i—Mn1—O5—C11 | 160.1 (4) | N2—C21—C22—C23 | −0.9 (6) |
O2—Mn2—O6—C11 | −55.2 (4) | C20—C21—C22—C23 | 176.6 (4) |
O3—Mn2—O6—C11 | 41.7 (4) | C21—C22—C23—C24 | 1.0 (7) |
N2—Mn2—O6—C11 | −151.7 (4) | C22—C23—C24—C25 | −0.6 (7) |
N1—Mn2—O6—C11 | −176.4 (4) | C21—N2—C25—C24 | −0.1 (7) |
O4—Mn2—O6—C11 | 97.8 (4) | Mn2—N2—C25—C24 | −179.2 (4) |
Mn1—O1—C1—O2 | −23.9 (6) | C23—C24—C25—N2 | 0.1 (7) |
Mn1—O1—C1—C2 | 154.7 (3) |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x, y−1, z; (iii) x, y+1, z; (iv) −x+1, −y, −z. |