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In the title complex, [Mn2(C16H14N2O2)2(C2H3O2)]ClO4, two [Mn(salen)] moieties [salen is bis­(salicyl­idene)­ethyl­enedi­amine] are connected through a [mu]-acetate bridge in a syn-anti fashion. The Mn...Mn distance is 5.365 (1) Å.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100005552/qa0274sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100005552/qa0274Isup2.hkl
Contains datablock I

CCDC reference: 145638

Comment top

The X-ray structure analysis of [Mn2(7-Me-salen)2(CH3COO)]ClO4 gave an unsatisfactory R value of 0.140 due to the poor crystalinity (Suzuki et al., 1997). The structure of [Mn2(salen)2(CH3COO)]ClO4, (I), is presented here.

Experimental top

The title compound, [Mn2(salen)2(CH3COO)]ClO4, was synthesized as described previously by Suzuki et al. (1997).

Refinement top

The positional parameters of all the H atoms were calculated geometrically and fixed with U(H) = 1.2Ueq(parent atom).

Computing details top

Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1993); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation, 1999); program(s) used to solve structure: DIRDIF94 (Beurskens et al., 1994); program(s) used to refine structure: TEXSAN; software used to prepare material for publication: TEXSAN.

µ-acetato-O:O'-bis({2,2'[1,2-ethanediylbis(nitrilomethylidyne)]diphenolato}- manganese(III)) perchlorate top
Crystal data top
[Mn2(C16H14N2O2)2(C2H3O2)]ClO4Z = 2
Mr = 800.97Dx = 1.583 Mg m3
Triclinic, P1Mo Kα radiation, λ = 0.71073 Å
a = 11.990 (4) ÅCell parameters from 25 reflections
b = 12.988 (4) Åθ = 10–15°
c = 11.296 (5) ŵ = 0.90 mm1
α = 106.52 (3)°T = 298 K
β = 94.31 (3)°Prism, black
γ = 90.79 (3)°0.5 × 0.5 × 0.3 mm
V = 1680.5 (9) Å3
Data collection top
Rigaku AFC-5S
diffractometer
Rint = 0.011
θ–2θ scansθmax = 27.5°
Absorption correction: integration
(Coppens et al., 1965)
h = 016
Tmin = 0.670, Tmax = 0.789k = 1717
8092 measured reflectionsl = 1515
7723 independent reflections3 standard reflections every 100 reflections
6237 reflections with I > 2σ(I) intensity decay: none
Refinement top
Refinement on F2H-atom parameters not refined
R[F2 > 2σ(F2)] = 0.039 w = 1/[σ2(Fo2) + (0.05(Fo2 + 2Fc2)/3)2]
wR(F2) = 0.106(Δ/σ)max = 0.001
S = 1.37Δρmax = 0.53 e Å3
7723 reflectionsΔρmin = 0.66 e Å3
460 parameters
Crystal data top
[Mn2(C16H14N2O2)2(C2H3O2)]ClO4γ = 90.79 (3)°
Mr = 800.97V = 1680.5 (9) Å3
Triclinic, P1Z = 2
a = 11.990 (4) ÅMo Kα radiation
b = 12.988 (4) ŵ = 0.90 mm1
c = 11.296 (5) ÅT = 298 K
α = 106.52 (3)°0.5 × 0.5 × 0.3 mm
β = 94.31 (3)°
Data collection top
Rigaku AFC-5S
diffractometer
6237 reflections with I > 2σ(I)
Absorption correction: integration
(Coppens et al., 1965)
Rint = 0.011
Tmin = 0.670, Tmax = 0.7893 standard reflections every 100 reflections
8092 measured reflections intensity decay: none
7723 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.039460 parameters
wR(F2) = 0.106H-atom parameters not refined
S = 1.37Δρmax = 0.53 e Å3
7723 reflectionsΔρmin = 0.66 e Å3
Special details top

Refinement. Refinement using reflections with F2 > 0.0 σ(F2). The weighted R-factor (wR) and goodness of fit (S) are based on F2. R-factor (gt) are based on F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Mn10.00387 (3)0.46031 (3)0.34269 (3)0.02548 (8)
Mn20.35940 (3)0.48464 (3)0.04533 (3)0.02727 (8)
Cl10.48912 (7)0.22137 (7)0.40514 (6)0.0617 (2)
O10.0807 (1)0.5607 (1)0.4584 (1)0.0293 (4)
O20.0884 (1)0.3388 (1)0.3269 (1)0.0345 (4)
O30.4264 (1)0.5849 (1)0.0291 (1)0.0324 (4)
O40.3411 (1)0.3819 (1)0.1063 (1)0.0355 (4)
O50.0808 (1)0.5022 (1)0.1913 (2)0.0425 (5)
O60.1991 (1)0.5607 (1)0.0677 (2)0.0425 (5)
O70.4440 (3)0.1738 (2)0.2936 (2)0.0923 (10)
O80.5757 (4)0.2880 (5)0.3794 (4)0.190 (2)
O90.4076 (4)0.2916 (3)0.4854 (3)0.148 (2)
O100.5290 (3)0.1514 (3)0.4684 (3)0.110 (1)
N10.1250 (1)0.5727 (2)0.3706 (2)0.0330 (5)
N20.1189 (2)0.3699 (2)0.2491 (2)0.0364 (5)
N30.4018 (1)0.5736 (2)0.2085 (2)0.0326 (5)
N40.3272 (1)0.3801 (2)0.1395 (2)0.0317 (5)
C10.0882 (2)0.6631 (2)0.4546 (2)0.0314 (5)
C20.1864 (2)0.7167 (2)0.4857 (2)0.0405 (6)
C30.1958 (2)0.8229 (2)0.4866 (3)0.0528 (8)
C40.1075 (3)0.8786 (2)0.4567 (3)0.0585 (9)
C50.0101 (3)0.8282 (2)0.4288 (3)0.0509 (8)
C60.0022 (2)0.7203 (2)0.4263 (2)0.0365 (6)
C70.1095 (2)0.6734 (2)0.4004 (2)0.0391 (6)
C80.2356 (2)0.5272 (2)0.3464 (2)0.0432 (7)
C90.2178 (2)0.4318 (2)0.2334 (3)0.0487 (7)
C100.1129 (2)0.2674 (2)0.2032 (2)0.0482 (7)
C110.0238 (2)0.1974 (2)0.2134 (3)0.0488 (7)
C120.0337 (3)0.0850 (3)0.1621 (4)0.075 (1)
C130.0447 (4)0.0134 (3)0.1752 (4)0.085 (1)
C140.1366 (3)0.0506 (2)0.2390 (3)0.070 (1)
C150.1508 (2)0.1593 (2)0.2898 (3)0.0491 (7)
C160.0712 (2)0.2352 (2)0.2775 (2)0.0383 (6)
C170.4148 (2)0.6914 (2)0.0230 (2)0.0305 (5)
C180.4189 (2)0.7586 (2)0.0542 (2)0.0376 (6)
C190.4140 (2)0.8693 (2)0.0050 (3)0.0482 (7)
C200.4067 (2)0.9162 (2)0.1230 (3)0.0550 (8)
C210.4041 (2)0.8516 (2)0.2000 (2)0.0465 (7)
C220.4062 (2)0.7390 (2)0.1526 (2)0.0356 (6)
C230.4120 (2)0.6756 (2)0.2382 (2)0.0365 (6)
C240.4181 (2)0.5103 (2)0.2957 (2)0.0380 (6)
C250.3295 (2)0.4267 (2)0.2750 (2)0.0383 (6)
C260.3056 (2)0.2812 (2)0.0936 (2)0.0382 (6)
C270.3007 (2)0.2270 (2)0.0354 (2)0.0387 (6)
C280.2831 (3)0.1148 (2)0.0706 (3)0.0575 (9)
C290.2870 (3)0.0560 (2)0.1917 (3)0.0661 (10)
C300.3101 (3)0.1060 (2)0.2840 (3)0.0560 (8)
C310.3267 (2)0.2153 (2)0.2537 (2)0.0426 (7)
C320.3218 (2)0.2782 (2)0.1295 (2)0.0330 (5)
C330.1049 (2)0.5608 (2)0.1233 (2)0.0323 (5)
C340.0168 (2)0.6367 (2)0.1026 (2)0.0514 (8)
H10.24830.67950.50680.0487*
H20.26420.85860.50800.0634*
H30.11510.95180.45570.0703*
H40.05160.86740.41040.0611*
H50.17290.72100.40590.0470*
H60.28570.57950.33130.0519*
H70.26610.50500.41590.0519*
H80.28230.38810.22600.0585*
H90.20510.45550.16050.0585*
H100.17400.23480.15770.0579*
H110.09720.05900.11700.0897*
H120.03630.06240.14050.1022*
H130.19190.00010.24840.0839*
H140.21550.18300.33380.0589*
H150.42520.72770.14250.0451*
H160.41570.91420.05950.0579*
H170.40360.99300.15670.0660*
H180.40070.88380.28800.0559*
H190.42430.71210.32270.0438*
H200.40930.55600.37950.0456*
H210.49140.47610.27950.0456*
H220.34780.37160.31240.0459*
H230.25780.45960.31030.0459*
H240.29140.23960.15070.0458*
H250.26800.07960.00730.0690*
H260.27390.01960.21320.0794*
H270.31440.06440.36950.0672*
H280.34190.24870.31860.0511*
H290.05210.63070.14890.0617*
H300.00530.61860.01600.0617*
H310.04120.70920.12980.0617*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mn10.0234 (2)0.0286 (2)0.0259 (2)0.0013 (1)0.0031 (1)0.0099 (1)
Mn20.0327 (2)0.0273 (2)0.0237 (2)0.0053 (1)0.0002 (1)0.0106 (1)
Cl10.0737 (5)0.0704 (5)0.0372 (3)0.0129 (4)0.0143 (3)0.0074 (3)
O10.0302 (7)0.0295 (7)0.0306 (7)0.0027 (6)0.0050 (6)0.0120 (6)
O20.0329 (8)0.0306 (8)0.0409 (9)0.0006 (6)0.0013 (6)0.0122 (7)
O30.0395 (8)0.0274 (7)0.0295 (7)0.0048 (6)0.0044 (6)0.0087 (6)
O40.0473 (9)0.0299 (8)0.0316 (8)0.0083 (7)0.0070 (7)0.0114 (6)
O50.0449 (9)0.052 (1)0.0351 (8)0.0001 (8)0.0063 (7)0.0216 (8)
O60.0352 (8)0.054 (1)0.0430 (9)0.0018 (7)0.0059 (7)0.0250 (8)
O70.122 (2)0.086 (2)0.062 (2)0.018 (2)0.032 (2)0.004 (1)
O80.159 (4)0.303 (6)0.173 (4)0.148 (4)0.097 (3)0.146 (4)
O90.224 (4)0.148 (3)0.061 (2)0.105 (3)0.036 (2)0.029 (2)
O100.117 (2)0.122 (3)0.105 (2)0.033 (2)0.018 (2)0.055 (2)
N10.0286 (9)0.041 (1)0.0330 (9)0.0030 (7)0.0019 (7)0.0164 (8)
N20.0308 (9)0.048 (1)0.0303 (9)0.0068 (8)0.0045 (7)0.0096 (8)
N30.0321 (9)0.038 (1)0.0273 (9)0.0005 (7)0.0002 (7)0.0100 (8)
N40.0285 (9)0.039 (1)0.0319 (9)0.0018 (7)0.0006 (7)0.0172 (8)
C10.038 (1)0.030 (1)0.0251 (10)0.0019 (9)0.0020 (8)0.0086 (8)
C20.042 (1)0.036 (1)0.042 (1)0.0057 (10)0.0033 (10)0.0097 (10)
C30.055 (2)0.039 (1)0.060 (2)0.015 (1)0.007 (1)0.009 (1)
C40.079 (2)0.029 (1)0.068 (2)0.005 (1)0.005 (2)0.015 (1)
C50.065 (2)0.035 (1)0.054 (2)0.008 (1)0.000 (1)0.017 (1)
C60.044 (1)0.034 (1)0.033 (1)0.0031 (9)0.0024 (9)0.0128 (9)
C70.039 (1)0.043 (1)0.038 (1)0.0101 (10)0.0031 (10)0.017 (1)
C80.027 (1)0.056 (2)0.051 (1)0.003 (1)0.0028 (10)0.023 (1)
C90.035 (1)0.067 (2)0.047 (1)0.007 (1)0.016 (1)0.019 (1)
C100.044 (1)0.051 (2)0.042 (1)0.014 (1)0.004 (1)0.001 (1)
C110.049 (1)0.038 (1)0.050 (1)0.008 (1)0.008 (1)0.000 (1)
C120.076 (2)0.045 (2)0.084 (2)0.017 (2)0.005 (2)0.010 (2)
C130.090 (3)0.035 (2)0.113 (3)0.003 (2)0.022 (2)0.000 (2)
C140.082 (2)0.040 (2)0.084 (2)0.016 (2)0.037 (2)0.025 (2)
C150.051 (1)0.040 (1)0.057 (2)0.008 (1)0.018 (1)0.022 (1)
C160.042 (1)0.034 (1)0.038 (1)0.0002 (9)0.0136 (10)0.0116 (9)
C170.0251 (10)0.028 (1)0.038 (1)0.0014 (8)0.0025 (8)0.0095 (9)
C180.036 (1)0.035 (1)0.044 (1)0.0033 (9)0.0012 (10)0.0155 (10)
C190.050 (1)0.033 (1)0.065 (2)0.000 (1)0.002 (1)0.021 (1)
C200.058 (2)0.027 (1)0.074 (2)0.000 (1)0.010 (1)0.008 (1)
C210.048 (1)0.035 (1)0.048 (1)0.001 (1)0.006 (1)0.001 (1)
C220.033 (1)0.031 (1)0.038 (1)0.0006 (9)0.0028 (9)0.0057 (9)
C230.036 (1)0.040 (1)0.028 (1)0.0027 (9)0.0004 (9)0.0020 (9)
C240.039 (1)0.049 (1)0.028 (1)0.0024 (10)0.0027 (9)0.0141 (10)
C250.041 (1)0.048 (1)0.031 (1)0.001 (1)0.0028 (9)0.021 (1)
C260.036 (1)0.041 (1)0.044 (1)0.0056 (9)0.0029 (10)0.024 (1)
C270.037 (1)0.035 (1)0.046 (1)0.0086 (9)0.0031 (10)0.017 (1)
C280.073 (2)0.039 (1)0.065 (2)0.020 (1)0.004 (1)0.022 (1)
C290.089 (2)0.032 (1)0.075 (2)0.020 (1)0.011 (2)0.010 (1)
C300.068 (2)0.041 (1)0.055 (2)0.010 (1)0.017 (1)0.004 (1)
C310.047 (1)0.038 (1)0.043 (1)0.004 (1)0.011 (1)0.011 (1)
C320.030 (1)0.031 (1)0.040 (1)0.0043 (8)0.0058 (9)0.0115 (9)
C330.034 (1)0.039 (1)0.0237 (10)0.0016 (9)0.0033 (8)0.0084 (9)
C340.052 (2)0.063 (2)0.042 (1)0.016 (1)0.003 (1)0.022 (1)
Geometric parameters (Å, º) top
Mn1—O11.924 (2)C10—C111.425 (4)
Mn1—O21.873 (2)C10—H100.960
Mn1—O52.129 (2)C11—C121.419 (4)
Mn1—N11.987 (2)C11—C161.414 (4)
Mn1—N21.989 (2)C12—C131.359 (6)
Mn2—O31.897 (1)C12—H110.960
Mn2—O41.878 (2)C13—C141.380 (6)
Mn2—O62.113 (2)C13—H120.960
Mn2—N31.984 (2)C14—C151.383 (4)
Mn2—N41.975 (2)C14—H130.960
Cl1—O71.389 (2)C15—C161.406 (4)
Cl1—O81.426 (4)C15—H140.960
Cl1—O91.407 (3)C17—C181.397 (3)
Cl1—O101.405 (3)C17—C221.413 (3)
O1—C11.348 (3)C18—C191.384 (3)
O2—C161.328 (3)C18—H150.960
O3—C171.340 (3)C19—C201.396 (4)
O4—C321.323 (3)C19—H160.960
O5—C331.248 (3)C20—C211.369 (4)
O6—C331.250 (3)C20—H170.960
N1—C71.274 (3)C21—C221.407 (3)
N1—C81.473 (3)C21—H180.960
N2—C91.474 (3)C22—C231.442 (3)
N2—C101.283 (3)C23—H190.960
N3—C231.280 (3)C24—C251.512 (4)
N3—C241.473 (3)C24—H200.960
N4—C251.480 (3)C24—H210.960
N4—C261.279 (3)C25—H220.960
C1—C21.393 (3)C25—H230.960
C1—C61.411 (3)C26—C271.433 (4)
C2—C31.384 (4)C26—H240.960
C2—H10.960C27—C281.421 (3)
C3—C41.388 (4)C27—C321.414 (3)
C3—H20.960C28—C291.361 (4)
C4—C51.360 (4)C28—H250.960
C4—H30.960C29—C301.391 (4)
C5—C61.404 (3)C29—H260.960
C5—H40.960C30—C311.384 (4)
C6—C71.445 (4)C30—H270.960
C7—H50.960C31—C321.405 (3)
C8—C91.503 (4)C31—H280.960
C8—H60.960C33—C341.510 (3)
C8—H70.960C34—H290.960
C9—H80.960C34—H300.960
C9—H90.960C34—H310.960
Mn1···C1i3.259 (2)O7···C263.477 (4)
Mn1···Mn1i3.4161 (6)O7···C153.526 (4)
Mn2···O3ii2.686 (2)O8···C2v3.341 (5)
Mn2···C17ii3.414 (2)O8···C18ii3.544 (5)
Mn2···Mn2ii3.510 (1)O9···C8i3.183 (4)
O1···O1i2.786 (3)O9···C31vi3.445 (4)
O1···N1i3.008 (2)O9···C253.503 (4)
O1···O2i3.013 (2)O10···C3v3.383 (5)
O1···N2i3.239 (2)O10···C23v3.563 (4)
O1···C8i3.407 (3)N2···C2i3.531 (3)
O2···C1i3.134 (3)N2···C1i3.538 (3)
O2···C7i3.158 (3)N4···C18ii3.443 (3)
O2···C6i3.199 (3)N4···C17ii3.448 (3)
O2···N1i3.345 (2)C1···C16i3.366 (3)
O3···O3ii3.050 (3)C2···C10i3.505 (4)
O3···N3ii3.077 (2)C5···C15i3.553 (4)
O3···N4ii3.209 (2)C6···C16i3.268 (3)
O3···O4ii3.256 (2)C6···C15i3.480 (3)
O3···C24ii3.324 (3)C7···C15i3.549 (4)
O3···C9iii3.496 (3)C7···C16i3.559 (3)
O4···C23ii3.191 (3)C17···C32ii3.452 (3)
O4···N3ii3.326 (3)C17···C26ii3.568 (3)
O4···C22ii3.328 (3)C17···C27ii3.586 (3)
O4···C17ii3.347 (3)C18···C26ii3.312 (3)
O4···C9iii3.507 (3)C18···C27ii3.575 (4)
O4···C8iii3.556 (3)C21···C31ii3.472 (4)
O5···C34iii3.590 (3)C22···C32ii3.251 (3)
O6···C9iii3.421 (3)C22···C31ii3.483 (4)
O7···C18ii3.392 (4)C23···C31ii3.452 (4)
O7···C20iv3.407 (4)C23···C32ii3.455 (3)
O7···C19ii3.455 (4)C33···C34iii3.489 (4)
O1—Mn1—O296.7 (1)C10—C11—C16122.6 (2)
O1—Mn1—O591.0 (1)C12—C11—C16118.9 (3)
O1—Mn1—N189.1 (1)C11—C12—C13121.5 (3)
O1—Mn1—N2167.7 (1)C11—C12—H11119.2
O2—Mn1—O594.9 (1)C13—C12—H11119.2
O2—Mn1—N1168.8 (1)C12—C13—C14119.3 (3)
O2—Mn1—N291.2 (1)C12—C13—H12120.3
O5—Mn1—N194.6 (1)C14—C13—H12120.3
O5—Mn1—N297.7 (1)C13—C14—C15121.4 (3)
N1—Mn1—N281.6 (1)C13—C14—H13119.3
O3—Mn2—O494.3 (1)C15—C14—H13119.3
O3—Mn2—O693.1 (1)C14—C15—C16120.5 (3)
O3—Mn2—N389.1 (1)C14—C15—H14119.8
O3—Mn2—N4165.4 (1)C16—C15—H14119.8
O4—Mn2—O696.9 (1)O2—C16—C11123.2 (2)
O4—Mn2—N3168.9 (1)O2—C16—C15118.5 (2)
O4—Mn2—N492.1 (1)C11—C16—C15118.3 (2)
O6—Mn2—N393.5 (1)O3—C17—C18118.6 (2)
O6—Mn2—N499.1 (1)O3—C17—C22122.8 (2)
N3—Mn2—N482.3 (1)C18—C17—C22118.5 (2)
O7—Cl1—O8106.8 (2)C17—C18—C19120.9 (2)
O7—Cl1—O9108.9 (2)C17—C18—H15119.6
O7—Cl1—O10116.4 (2)C19—C18—H15119.6
O8—Cl1—O9105.7 (3)C18—C19—C20120.7 (2)
O8—Cl1—O10110.8 (3)C18—C19—H16119.7
O9—Cl1—O10107.7 (2)C20—C19—H16119.7
Mn1—O1—C1120.6 (1)C19—C20—C21119.3 (2)
Mn1—O2—C16130.5 (2)C19—C20—H17120.4
Mn2—O3—C17122.5 (1)C21—C20—H17120.4
Mn2—O4—C32129.6 (1)C20—C21—C22121.2 (2)
Mn1—O5—C33155.9 (2)C20—C21—H18119.4
Mn2—O6—C33140.1 (1)C22—C21—H18119.4
Mn1—N1—C7124.5 (2)C17—C22—C21119.5 (2)
Mn1—N1—C8112.6 (2)C17—C22—C23121.9 (2)
C7—N1—C8122.8 (2)C21—C22—C23118.3 (2)
Mn1—N2—C9113.7 (2)N3—C23—C22124.0 (2)
Mn1—N2—C10126.3 (2)N3—C23—H19118.0
C9—N2—C10119.9 (2)C22—C23—H19118.0
Mn2—N3—C23124.8 (2)N3—C24—C25106.4 (2)
Mn2—N3—C24112.9 (1)N3—C24—H20110.2
C23—N3—C24122.4 (2)N3—C24—H21110.2
Mn2—N4—C25113.3 (1)C25—C24—H20110.2
Mn2—N4—C26126.1 (2)C25—C24—H21110.2
C25—N4—C26120.6 (2)H20—C24—H21109.5
O1—C1—C2119.1 (2)N4—C25—C24107.3 (2)
O1—C1—C6122.3 (2)N4—C25—H22110.0
C2—C1—C6118.5 (2)N4—C25—H23110.0
C1—C2—C3120.7 (2)C24—C25—H22110.0
C1—C2—H1119.7C24—C25—H23110.0
C3—C2—H1119.7H22—C25—H23109.5
C2—C3—C4120.7 (3)N4—C26—C27125.8 (2)
C2—C3—H2119.6N4—C26—H24117.1
C4—C3—H2119.6C27—C26—H24117.1
C3—C4—C5119.4 (2)C26—C27—C28118.2 (2)
C3—C4—H3120.3C26—C27—C32123.0 (2)
C5—C4—H3120.3C28—C27—C32118.6 (2)
C4—C5—C6121.4 (3)C27—C28—C29121.7 (3)
C4—C5—H4119.3C27—C28—H25119.1
C6—C5—H4119.3C29—C28—H25119.1
C1—C6—C5119.2 (2)C28—C29—C30119.6 (3)
C1—C6—C7122.4 (2)C28—C29—H26120.2
C5—C6—C7118.3 (2)C30—C29—H26120.2
N1—C7—C6124.0 (2)C29—C30—C31120.5 (3)
N1—C7—H5118.0C29—C30—H27119.8
C6—C7—H5118.0C31—C30—H27119.7
N1—C8—C9106.6 (2)C30—C31—C32121.1 (2)
N1—C8—H6110.2C30—C31—H28119.5
N1—C8—H7110.2C32—C31—H28119.5
C9—C8—H6110.2O4—C32—C27123.2 (2)
C9—C8—H7110.2O4—C32—C31118.2 (2)
H6—C8—H7109.5C27—C32—C31118.5 (2)
N2—C9—C8107.3 (2)O5—C33—O6124.1 (2)
N2—C9—H8110.0O5—C33—C34119.9 (2)
N2—C9—H9110.0O6—C33—C34116.0 (2)
C8—C9—H8110.0C33—C34—H29109.5
C8—C9—H9110.0C33—C34—H30109.5
H8—C9—H9109.5C33—C34—H31109.5
N2—C10—C11126.0 (2)H29—C34—H30109.5
N2—C10—H10117.0H29—C34—H31109.5
C11—C10—H10117.0H30—C34—H31109.5
C10—C11—C12118.4 (3)
Mn1—O5—C33—O6148.6 (3)Mn2—O6—C33—O50.9 (4)
Symmetry codes: (i) x, y+1, z+1; (ii) x1, y+1, z; (iii) x, y+1, z; (iv) x, y1, z; (v) x1, y+1, z+1; (vi) x, y, z+1.

Experimental details

Crystal data
Chemical formula[Mn2(C16H14N2O2)2(C2H3O2)]ClO4
Mr800.97
Crystal system, space groupTriclinic, P1
Temperature (K)298
a, b, c (Å)11.990 (4), 12.988 (4), 11.296 (5)
α, β, γ (°)106.52 (3), 94.31 (3), 90.79 (3)
V3)1680.5 (9)
Z2
Radiation typeMo Kα
µ (mm1)0.90
Crystal size (mm)0.5 × 0.5 × 0.3
Data collection
DiffractometerRigaku AFC-5S
diffractometer
Absorption correctionIntegration
(Coppens et al., 1965)
Tmin, Tmax0.670, 0.789
No. of measured, independent and
observed [I > 2σ(I)] reflections
8092, 7723, 6237
Rint0.011
(sin θ/λ)max1)0.650
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.039, 0.106, 1.37
No. of reflections7723
No. of parameters460
No. of restraints?
H-atom treatmentH-atom parameters not refined
Δρmax, Δρmin (e Å3)0.53, 0.66

Computer programs: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1993), MSC/AFC Diffractometer Control Software, TEXSAN (Molecular Structure Corporation, 1999), DIRDIF94 (Beurskens et al., 1994), TEXSAN.

Selected geometric parameters (Å, º) top
Mn1—O11.924 (2)Mn2—O31.897 (1)
Mn1—O21.873 (2)Mn2—O41.878 (2)
Mn1—O52.129 (2)Mn2—O62.113 (2)
Mn1—N11.987 (2)Mn2—N31.984 (2)
Mn1—N21.989 (2)Mn2—N41.975 (2)
Mn1—O5—C33155.9 (2)Mn2—O6—C33140.1 (1)
Mn1—O5—C33—O6148.6 (3)Mn2—O6—C33—O50.9 (4)
 

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