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The centrosymmetric title compound, [Mn2Sn2Se6(C6H18N4)2], contains a central ditetra­hedral edge-bridged [Sn2Se6]4− anion, which connects two [Mn(tren)]2+ fragments [tren is tris­(2-amino­ethyl)amine] through Mn—Se bonds of length 2.608 (2) Å to symmetry-related terminal Se atoms. These Se atoms also participate in additional weak Mn—Se inter­actions of length 3.122 (2) Å to the Mn atoms of symmetry-related [Mn(tren)}2+ fragments, leading to the formation of infinite chains.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806039286/kp2055sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806039286/kp2055Isup2.hkl
Contains datablock I

CCDC reference: 624898

Key indicators

  • Single-crystal X-ray study
  • T = 292 K
  • Mean [sigma](C-C) = 0.015 Å
  • R factor = 0.044
  • wR factor = 0.111
  • Data-to-parameter ratio = 18.4

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 15 PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N3 - H3A ... ? PLAT480_ALERT_4_C Long H...A H-Bond Reported H1B .. SE1 .. 3.03 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H3A .. SE3 .. 3.02 Ang.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: XSCANS (Siemens, 1996); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 1995); software used to prepare material for publication: SHELXTL.

Tetra-µ2-selenido-diselenidobis[tris(2- aminoethyl)amine]dimanganese(II)ditin(IV) top
Crystal data top
[Mn2Sn2Se6(C6H18N4)2]Z = 1
Mr = 1113.51F(000) = 518
Triclinic, P1Dx = 2.578 Mg m3
Hall symbol: -P1Mo Kα radiation, λ = 0.71073 Å
a = 7.772 (3) ÅCell parameters from 16 reflections
b = 8.193 (3) Åθ = 7.9–14.4°
c = 12.481 (4) ŵ = 10.21 mm1
α = 97.36 (4)°T = 292 K
β = 104.432 (18)°Prism, yellow
γ = 107.26 (3)°0.54 × 0.11 × 0.10 mm
V = 717.2 (4) Å3
Data collection top
Siemens P4 four-circle
diffractometer
1869 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.053
Graphite monochromatorθmax = 25.0°, θmin = 2.7°
ω scansh = 19
Absorption correction: ψ scan
(XPREP in SHELXTL; Sheldrick, 1995)
k = 99
Tmin = 0.272, Tmax = 0.363l = 1414
3093 measured reflections3 standard reflections every 100 reflections
2497 independent reflections intensity decay: 2.7%
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.044Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.111H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0592P)2]
where P = (Fo2 + 2Fc2)/3
2497 reflections(Δ/σ)max < 0.001
136 parametersΔρmax = 1.52 e Å3
0 restraintsΔρmin = 1.16 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sn10.40099 (8)0.29646 (8)0.90326 (5)0.0215 (2)
Se20.21487 (13)0.02224 (12)0.94619 (7)0.0253 (2)
Se30.41912 (14)0.25281 (13)0.70930 (8)0.0297 (3)
Se10.27142 (13)0.54602 (12)0.94813 (8)0.0262 (2)
Mn10.2242 (2)0.10283 (19)1.15708 (12)0.0296 (4)
N40.2704 (10)0.1652 (10)1.3542 (6)0.0240 (17)
N20.1554 (12)0.1579 (10)1.2025 (7)0.0327 (19)
H2A0.04850.23121.15030.039*
H2B0.24860.20021.19860.039*
N10.1665 (12)0.3510 (10)1.1879 (7)0.0323 (19)
H1A0.27270.44281.19990.039*
H1B0.07840.35521.12690.039*
N30.5381 (12)0.1837 (12)1.2329 (7)0.039 (2)
H3A0.57240.08801.22640.047*
H3B0.59520.25551.19360.047*
C220.1286 (15)0.0134 (13)1.3711 (9)0.034 (2)
H22A0.00400.02061.34120.041*
H22B0.15230.01871.45180.041*
C320.4666 (13)0.1778 (14)1.4109 (8)0.032 (2)
H32A0.47180.06101.41090.039*
H32B0.50490.24031.48910.039*
C310.6033 (15)0.2725 (13)1.3518 (9)0.037 (2)
H31A0.60880.39331.35820.044*
H31B0.72920.27191.38730.044*
C210.1303 (14)0.1595 (13)1.3150 (9)0.033 (2)
H21A0.23200.18781.36250.040*
H21B0.01210.25031.30770.040*
C120.2370 (15)0.3294 (13)1.3846 (8)0.036 (2)
H12A0.35580.42611.40580.043*
H12B0.19080.32691.45000.043*
C110.0974 (14)0.3603 (13)1.2900 (9)0.034 (2)
H11A0.08720.47441.31100.041*
H11B0.02630.27181.27350.041*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.0209 (3)0.0213 (3)0.0194 (3)0.0027 (3)0.0075 (3)0.0031 (2)
Se20.0275 (5)0.0224 (5)0.0211 (5)0.0012 (4)0.0083 (4)0.0038 (4)
Se30.0312 (6)0.0360 (6)0.0204 (5)0.0070 (4)0.0108 (4)0.0059 (4)
Se10.0203 (5)0.0245 (5)0.0293 (5)0.0058 (4)0.0034 (4)0.0032 (4)
Mn10.0409 (9)0.0301 (8)0.0195 (7)0.0129 (7)0.0098 (7)0.0075 (6)
N40.023 (4)0.024 (4)0.017 (4)0.001 (3)0.001 (3)0.008 (3)
N20.025 (4)0.023 (4)0.045 (5)0.006 (4)0.005 (4)0.005 (4)
N10.032 (5)0.028 (5)0.034 (5)0.004 (4)0.007 (4)0.012 (4)
N30.036 (5)0.045 (6)0.032 (5)0.005 (4)0.013 (4)0.010 (4)
C220.044 (6)0.036 (6)0.035 (6)0.018 (5)0.022 (5)0.020 (5)
C320.029 (6)0.043 (6)0.022 (5)0.011 (5)0.003 (4)0.010 (4)
C310.027 (5)0.030 (6)0.044 (6)0.002 (4)0.005 (5)0.003 (5)
C210.017 (5)0.038 (6)0.043 (6)0.003 (4)0.010 (4)0.014 (5)
C120.044 (6)0.034 (6)0.029 (5)0.017 (5)0.011 (5)0.004 (4)
C110.029 (6)0.021 (5)0.048 (6)0.006 (4)0.009 (5)0.001 (4)
Geometric parameters (Å, º) top
Sn1—Se32.4466 (13)N3—C311.455 (13)
Sn1—Se22.4885 (13)N3—H3A0.9000
Sn1—Se1i2.5827 (16)N3—H3B0.9000
Sn1—Se12.5919 (14)C22—C211.503 (14)
Se2—Mn12.6078 (19)C22—H22A0.9700
Se1—Sn1i2.5827 (16)C22—H22B0.9700
Mn1—N12.216 (8)C32—C311.524 (14)
Mn1—N22.225 (8)C32—H32A0.9700
Mn1—N32.240 (9)C32—H32B0.9700
Mn1—N42.360 (7)C31—H31A0.9700
N4—C121.466 (12)C31—H31B0.9700
N4—C221.475 (12)C21—H21A0.9700
N4—C321.479 (12)C21—H21B0.9700
N2—C211.466 (12)C12—C111.495 (14)
N2—H2A0.9000C12—H12A0.9700
N2—H2B0.9000C12—H12B0.9700
N1—C111.503 (12)C11—H11A0.9700
N1—H1A0.9000C11—H11B0.9700
N1—H1B0.9000
Se3—Sn1—Se2112.41 (5)C31—N3—H3B109.0
Se3—Sn1—Se1i112.52 (5)Mn1—N3—H3B109.0
Se2—Sn1—Se1i113.50 (5)H3A—N3—H3B107.8
Se3—Sn1—Se1112.13 (5)N4—C22—C21113.3 (8)
Se2—Sn1—Se1110.63 (4)N4—C22—H22A108.9
Se1i—Sn1—Se194.40 (5)C21—C22—H22A108.9
Sn1—Se2—Mn1106.15 (6)N4—C22—H22B108.9
Sn1i—Se1—Sn185.60 (5)C21—C22—H22B108.9
N1—Mn1—N2140.0 (3)H22A—C22—H22B107.7
N1—Mn1—N3103.7 (3)N4—C32—C31111.5 (8)
N2—Mn1—N396.2 (3)N4—C32—H32A109.3
N1—Mn1—N476.2 (3)C31—C32—H32A109.3
N2—Mn1—N475.3 (3)N4—C32—H32B109.3
N3—Mn1—N476.3 (3)C31—C32—H32B109.3
N1—Mn1—Se2109.6 (2)H32A—C32—H32B108.0
N2—Mn1—Se2102.0 (2)N3—C31—C32108.8 (8)
N3—Mn1—Se296.8 (2)N3—C31—H31A109.9
N4—Mn1—Se2172.1 (2)C32—C31—H31A109.9
C12—N4—C22112.3 (8)N3—C31—H31B109.9
C12—N4—C32112.1 (8)C32—C31—H31B109.9
C22—N4—C32112.6 (7)H31A—C31—H31B108.3
C12—N4—Mn1108.6 (5)N2—C21—C22112.2 (8)
C22—N4—Mn1103.7 (5)N2—C21—H21A109.2
C32—N4—Mn1107.0 (5)C22—C21—H21A109.2
C21—N2—Mn1115.5 (6)N2—C21—H21B109.2
C21—N2—H2A108.4C22—C21—H21B109.2
Mn1—N2—H2A108.4H21A—C21—H21B107.9
C21—N2—H2B108.4N4—C12—C11112.6 (8)
Mn1—N2—H2B108.4N4—C12—H12A109.1
H2A—N2—H2B107.5C11—C12—H12A109.1
C11—N1—Mn1108.9 (5)N4—C12—H12B109.1
C11—N1—H1A109.9C11—C12—H12B109.1
Mn1—N1—H1A109.9H12A—C12—H12B107.8
C11—N1—H1B109.9C12—C11—N1107.6 (8)
Mn1—N1—H1B109.9C12—C11—H11A110.2
H1A—N1—H1B108.3N1—C11—H11A110.2
C31—N3—Mn1112.7 (6)C12—C11—H11B110.2
C31—N3—H3A109.0N1—C11—H11B110.2
Mn1—N3—H3A109.0H11A—C11—H11B108.5
Se3—Sn1—Se2—Mn1178.76 (5)N3—Mn1—N1—C1199.5 (6)
Se1i—Sn1—Se2—Mn149.63 (6)N4—Mn1—N1—C1127.6 (6)
Se1—Sn1—Se2—Mn155.04 (6)Se2—Mn1—N1—C11158.0 (5)
Se3—Sn1—Se1—Sn1i116.49 (5)N1—Mn1—N3—C3156.3 (7)
Se2—Sn1—Se1—Sn1i117.16 (5)N2—Mn1—N3—C3188.7 (7)
Se1i—Sn1—Se1—Sn1i0.0N4—Mn1—N3—C3115.5 (7)
Sn1—Se2—Mn1—N145.7 (2)Se2—Mn1—N3—C31168.4 (7)
Sn1—Se2—Mn1—N2159.3 (2)C12—N4—C22—C21166.0 (8)
Sn1—Se2—Mn1—N361.5 (2)C32—N4—C22—C2166.3 (11)
N1—Mn1—N4—C120.4 (6)Mn1—N4—C22—C2149.0 (9)
N2—Mn1—N4—C12152.0 (7)C12—N4—C32—C3178.9 (10)
N3—Mn1—N4—C12107.7 (6)C22—N4—C32—C31153.3 (8)
N1—Mn1—N4—C22119.2 (6)Mn1—N4—C32—C3140.0 (9)
N2—Mn1—N4—C2232.4 (6)Mn1—N3—C31—C3241.5 (10)
N3—Mn1—N4—C22132.7 (6)N4—C32—C31—N355.6 (11)
N1—Mn1—N4—C32121.6 (6)Mn1—N2—C21—C228.3 (10)
N2—Mn1—N4—C3286.8 (6)N4—C22—C21—N240.6 (12)
N3—Mn1—N4—C3213.5 (6)C22—N4—C12—C1184.7 (10)
N1—Mn1—N2—C2132.2 (9)C32—N4—C12—C11147.4 (8)
N3—Mn1—N2—C2187.7 (7)Mn1—N4—C12—C1129.4 (10)
N4—Mn1—N2—C2113.6 (6)N4—C12—C11—N154.9 (11)
Se2—Mn1—N2—C21174.0 (6)Mn1—N1—C11—C1252.3 (8)
N2—Mn1—N1—C1118.0 (9)
Symmetry code: (i) x+1, y+1, z+2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1A···Se3i0.902.763.636 (8)165
N3—H3B···Se1i0.902.743.634 (8)173
N1—H1B···Se1ii0.903.033.790 (8)144
N2—H2A···Se1iii0.902.863.708 (8)157
N2—H2B···Se3iv0.902.743.561 (8)153
N3—H3A···Se3iv0.903.023.829 (9)151
Symmetry codes: (i) x+1, y+1, z+2; (ii) x, y+1, z+2; (iii) x, y, z+2; (iv) x+1, y, z+2.
 

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