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The title compound, [Mn(C2H8N2)3]2[Sn2Te6], contains [Mn(en)3]2+ (en is ethyl­enediamine) complex cations and crystallographically centrosymmetric [Sn2Te6]4− anions in its monoclinic crystal structure. The five-membered chelate rings of symmetry-related cations exhibit either λλλ or δδδ conformations. Two SnTe4 tetra­hedra edge-share to afford the hexa­telluridodistannate(IV) anions, whose terminal Sn—Te bonds are significantly shorter than the bridging Sn—Te bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805031703/bt6751sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805031703/bt6751Isup2.hkl
Contains datablock I

CCDC reference: 289649

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.014 Å
  • R factor = 0.036
  • wR factor = 0.106
  • Data-to-parameter ratio = 23.6

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT480_ALERT_4_B Long H...A H-Bond Reported H9A .. TE2 .. 3.60 Ang. PLAT480_ALERT_4_B Long H...A H-Bond Reported H9B .. TE2 .. 3.61 Ang.
Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Mn PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 14 PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N4 - H4A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N4 - H4B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N5 - H5A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N5 - H5B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N8 - H8A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N8 - H8B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N9 - H9A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N9 - H9B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N12 - H12A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N12 - H12B ... ? PLAT480_ALERT_4_C Long H...A H-Bond Reported H1A .. TE1 .. 3.34 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H1B .. TE3 .. 3.31 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H8A .. TE3 .. 3.19 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H9A .. TE1 .. 3.19 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 44.00 A   3
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 25 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 14 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 6 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: R3m/V (Siemens, 1989); cell refinement: R3m/V; data reduction: XDISK (Siemens, 1989); 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: SHELXL97.

Bis[tris(ethylenediamine)manganese(II)] di-µ-tellurido-bis[ditelluridostannate(IV)] top
Crystal data top
[Mn(C2H8N2)3]2[Sn2T6]F(000) = 1332
Mr = 1473.44Dx = 2.359 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 20 reflections
a = 9.1006 (18) Åθ = 12.4–32.1°
b = 18.019 (4) ŵ = 5.94 mm1
c = 12.701 (3) ÅT = 293 K
β = 95.23 (3)°Block, dark-red
V = 2074.1 (7) Å30.5 × 0.4 × 0.3 mm
Z = 2
Data collection top
Siemens P4 four-circle
diffractometer
3055 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.028
Graphite monochromatorθmax = 25.0°, θmin = 2.3°
ω scansh = 1010
Absorption correction: ψ scan
(XPREP in SHELXTL; Sheldrick, 1995)
k = 021
Tmin = 0.067, Tmax = 0.169l = 015
3807 measured reflections3 standard reflections every 100 reflections
3639 independent reflections intensity decay: 1%
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)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.106H-atom parameters constrained
S = 1.38 w = 1/[σ2(Fo2) + (0.0494P)2]
where P = (Fo2 + 2Fc2)/3
3639 reflections(Δ/σ)max < 0.001
154 parametersΔρmax = 0.95 e Å3
0 restraintsΔρmin = 1.03 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
Sn0.49729 (6)0.09053 (3)0.07648 (4)0.04450 (15)
Te30.51030 (6)0.22599 (3)0.01342 (4)0.05234 (16)
Te20.27227 (6)0.00041 (3)0.02084 (4)0.05066 (16)
Te10.47692 (8)0.10152 (3)0.28637 (4)0.0706 (2)
Mn1.01169 (12)0.32129 (6)0.12714 (9)0.0520 (3)
N50.8779 (8)0.4230 (4)0.0684 (6)0.0675 (19)
H5A0.91870.46420.09830.081*
H5B0.87890.42710.00220.081*
N121.2126 (8)0.3610 (4)0.0449 (5)0.072 (2)
H12A1.27170.32230.03350.087*
H12B1.18280.38170.01790.087*
N40.9414 (8)0.2427 (4)0.0100 (6)0.0710 (19)
H4A0.84340.23480.01360.085*
H4B0.96330.26270.07150.085*
N91.1439 (8)0.3863 (4)0.2558 (5)0.0671 (18)
H9A1.10450.43180.26160.081*
H9B1.14170.36290.31820.081*
N80.8018 (8)0.3094 (5)0.2095 (5)0.076 (2)
H8A0.74310.27450.17730.091*
H8B0.82360.29600.27740.091*
C111.2927 (10)0.4154 (5)0.1133 (7)0.072 (2)
H11A1.24470.46330.10400.086*
H11B1.39240.42030.09280.086*
C101.2989 (9)0.3929 (6)0.2286 (7)0.074 (2)
H10A1.34970.34590.23960.088*
H10B1.35120.43010.27270.088*
N11.0999 (9)0.2092 (4)0.1884 (6)0.085 (2)
H1A1.19800.20680.18420.102*
H1B1.08220.20340.25650.102*
C70.7247 (11)0.3842 (6)0.2037 (8)0.084 (3)
H7A0.62350.37840.22050.101*
H7B0.77430.41790.25490.101*
C60.7270 (10)0.4156 (5)0.0953 (9)0.081 (3)
H6A0.67250.38330.04470.097*
H6B0.67950.46390.09210.097*
C31.0207 (11)0.1723 (5)0.0087 (8)0.081 (3)
H3A1.12060.17730.01130.097*
H3B0.97190.13360.03470.097*
C21.0252 (12)0.1507 (5)0.1233 (8)0.089 (3)
H2A0.92560.14400.14300.106*
H2B1.07780.10410.13480.106*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn0.0568 (3)0.0393 (3)0.0369 (3)0.0009 (2)0.0018 (2)0.00226 (19)
Te30.0618 (3)0.0392 (3)0.0559 (3)0.0012 (2)0.0049 (2)0.0012 (2)
Te20.0527 (3)0.0450 (3)0.0533 (3)0.0012 (2)0.0003 (2)0.0038 (2)
Te10.1057 (5)0.0699 (4)0.0355 (3)0.0077 (3)0.0027 (3)0.0045 (2)
Mn0.0504 (6)0.0542 (7)0.0509 (6)0.0037 (5)0.0016 (5)0.0088 (5)
N50.068 (5)0.072 (5)0.063 (4)0.009 (4)0.011 (3)0.002 (4)
N120.067 (5)0.090 (5)0.059 (4)0.007 (4)0.001 (3)0.005 (4)
N40.075 (5)0.075 (5)0.064 (4)0.004 (4)0.011 (4)0.016 (4)
N90.078 (5)0.074 (5)0.050 (4)0.007 (4)0.010 (3)0.005 (3)
N80.063 (4)0.112 (7)0.055 (4)0.000 (4)0.009 (3)0.003 (4)
C110.057 (5)0.079 (6)0.080 (6)0.004 (4)0.010 (4)0.006 (5)
C100.062 (5)0.095 (7)0.062 (5)0.010 (5)0.004 (4)0.006 (5)
N10.086 (6)0.088 (6)0.078 (5)0.025 (5)0.009 (4)0.004 (4)
C70.069 (6)0.108 (8)0.077 (6)0.009 (6)0.018 (5)0.023 (6)
C60.059 (6)0.073 (6)0.109 (8)0.014 (5)0.008 (5)0.001 (6)
C30.093 (7)0.063 (6)0.085 (7)0.012 (5)0.005 (5)0.028 (5)
C20.098 (8)0.060 (6)0.101 (8)0.007 (5)0.029 (6)0.014 (6)
Geometric parameters (Å, º) top
Sn—Te12.6965 (8)N9—H9B0.9000
Sn—Te32.7018 (8)N8—C71.518 (12)
Sn—Te2i2.8022 (8)N8—H8A0.9000
Sn—Te22.8102 (9)N8—H8B0.9000
Te2—Sni2.8022 (8)C11—C101.516 (12)
Mn—N92.266 (7)C11—H11A0.9700
Mn—N82.270 (7)C11—H11B0.9700
Mn—N12.283 (8)C10—H10A0.9700
Mn—N52.287 (7)C10—H10B0.9700
Mn—N42.291 (7)N1—C21.468 (11)
Mn—N122.301 (7)N1—H1A0.9000
N5—C61.452 (11)N1—H1B0.9000
N5—H5A0.9000C7—C61.490 (14)
N5—H5B0.9000C7—H7A0.9700
N12—C111.459 (11)C7—H7B0.9700
N12—H12A0.9000C6—H6A0.9700
N12—H12B0.9000C6—H6B0.9700
N4—C31.469 (11)C3—C21.504 (14)
N4—H4A0.9000C3—H3A0.9700
N4—H4B0.9000C3—H3B0.9700
N9—C101.487 (10)C2—H2A0.9700
N9—H9A0.9000C2—H2B0.9700
Te1—Sn—Te3111.17 (2)C7—N8—H8A110.2
Te1—Sn—Te2i114.38 (3)Mn—N8—H8A110.2
Te3—Sn—Te2i111.04 (3)C7—N8—H8B110.2
Te1—Sn—Te2111.36 (3)Mn—N8—H8B110.2
Te3—Sn—Te2113.23 (3)H8A—N8—H8B108.5
Te2i—Sn—Te294.78 (2)N12—C11—C10111.6 (7)
Sni—Te2—Sn85.22 (2)N12—C11—H11A109.3
N9—Mn—N897.5 (3)C10—C11—H11A109.3
N9—Mn—N193.7 (3)N12—C11—H11B109.3
N8—Mn—N192.5 (3)C10—C11—H11B109.3
N9—Mn—N593.0 (3)H11A—C11—H11B108.0
N8—Mn—N577.3 (3)N9—C10—C11107.1 (7)
N1—Mn—N5168.5 (3)N9—C10—H10A110.3
N9—Mn—N4164.1 (3)C11—C10—H10A110.3
N8—Mn—N496.0 (3)N9—C10—H10B110.3
N1—Mn—N477.1 (3)C11—C10—H10B110.3
N5—Mn—N498.3 (3)H10A—C10—H10B108.6
N9—Mn—N1277.0 (2)C2—N1—Mn108.2 (6)
N8—Mn—N12167.3 (3)C2—N1—H1A110.0
N1—Mn—N1299.2 (3)Mn—N1—H1A110.0
N5—Mn—N1291.4 (3)C2—N1—H1B110.0
N4—Mn—N1291.5 (3)Mn—N1—H1B110.0
C6—N5—Mn109.7 (5)H1A—N1—H1B108.4
C6—N5—H5A109.7C6—C7—N8109.7 (7)
Mn—N5—H5A109.7C6—C7—H7A109.7
C6—N5—H5B109.7N8—C7—H7A109.7
Mn—N5—H5B109.7C6—C7—H7B109.7
H5A—N5—H5B108.2N8—C7—H7B109.7
C11—N12—Mn108.3 (5)H7A—C7—H7B108.2
C11—N12—H12A110.0N5—C6—C7110.2 (8)
Mn—N12—H12A110.0N5—C6—H6A109.6
C11—N12—H12B110.0C7—C6—H6A109.6
Mn—N12—H12B110.0N5—C6—H6B109.6
H12A—N12—H12B108.4C7—C6—H6B109.6
C3—N4—Mn108.2 (5)H6A—C6—H6B108.1
C3—N4—H4A110.1N4—C3—C2110.4 (7)
Mn—N4—H4A110.1N4—C3—H3A109.6
C3—N4—H4B110.1C2—C3—H3A109.6
Mn—N4—H4B110.1N4—C3—H3B109.6
H4A—N4—H4B108.4C2—C3—H3B109.6
C10—N9—Mn109.1 (5)H3A—C3—H3B108.1
C10—N9—H9A109.9N1—C2—C3109.3 (9)
Mn—N9—H9A109.9N1—C2—H2A109.8
C10—N9—H9B109.9C3—C2—H2A109.8
Mn—N9—H9B109.9N1—C2—H2B109.8
H9A—N9—H9B108.3C3—C2—H2B109.8
C7—N8—Mn107.4 (5)H2A—C2—H2B108.3
Te1—Sn—Te2—Sni118.52 (3)N4—Mn—N9—C1024.7 (13)
Te3—Sn—Te2—Sni115.34 (3)N12—Mn—N9—C1019.8 (6)
Te2i—Sn—Te2—Sni0.0N9—Mn—N8—C774.7 (6)
N9—Mn—N5—C6109.3 (6)N1—Mn—N8—C7168.8 (6)
N8—Mn—N5—C612.3 (6)N5—Mn—N8—C716.8 (6)
N1—Mn—N5—C616.5 (17)N4—Mn—N8—C7113.9 (6)
N4—Mn—N5—C682.0 (6)N12—Mn—N8—C711.5 (14)
N12—Mn—N5—C6173.7 (6)Mn—N12—C11—C1040.0 (9)
N9—Mn—N12—C1110.6 (6)Mn—N9—C10—C1146.2 (8)
N8—Mn—N12—C1154.7 (13)N12—C11—C10—N959.1 (10)
N1—Mn—N12—C11102.3 (6)N9—Mn—N1—C2176.3 (7)
N5—Mn—N12—C1182.2 (6)N8—Mn—N1—C278.6 (7)
N4—Mn—N12—C11179.5 (6)N5—Mn—N1—C250.5 (17)
N9—Mn—N4—C343.0 (13)N4—Mn—N1—C216.9 (7)
N8—Mn—N4—C3104.3 (6)N12—Mn—N1—C2106.3 (7)
N1—Mn—N4—C313.1 (6)Mn—N8—C7—C644.1 (9)
N5—Mn—N4—C3177.6 (6)Mn—N5—C6—C740.6 (9)
N12—Mn—N4—C386.0 (6)N8—C7—C6—N558.1 (11)
N8—Mn—N9—C10171.9 (6)Mn—N4—C3—C241.6 (9)
N1—Mn—N9—C1078.8 (6)Mn—N1—C2—C344.5 (9)
N5—Mn—N9—C10110.5 (6)N4—C3—C2—N159.5 (11)
Symmetry code: (i) x+1, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1A···Te1ii0.903.344.039 (8)137
N1—H1B···Te3iii0.903.314.115 (8)151
N4—H4A···Te30.903.043.931 (7)173
N4—H4B···Te1iv0.903.053.851 (8)149
N5—H5A···Te1v0.902.993.880 (7)173
N5—H5B···Te1iv0.902.953.798 (7)157
N8—H8A···Te30.903.193.994 (8)150
N8—H8B···Te3iii0.903.053.895 (7)158
N9—H9A···Te1v0.903.194.052 (8)161
N9—H9B···Te3iii0.903.013.849 (7)157
N12—H12A···Te3ii0.902.883.764 (7)166
N12—H12B···Te1iv0.902.993.816 (7)154
N9—H9A···Te2v0.903.603.959 (7)107
N9—H9B···Te2v0.903.613.959 (7)107
Symmetry codes: (ii) x+1, y, z; (iii) x+1/2, y+1/2, z+1/2; (iv) x+1/2, y+1/2, z1/2; (v) x+3/2, y+1/2, z+1/2.
 

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