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Te4[Ga2Cl7]2 has been isolated from GaCl3-benzene media and its structure determined. The structure features a centro­symmetric square-planar Te{}_{4}^{\,\,2+} cation and staggered [Ga2Cl7]- anions, consisting of two corner-sharing GaCl4 tetrahedra. The chlorine bridge between the Ga atoms in the anion is bent. The title compound is isotypic with Te4[Al2Cl7]2.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805001960/wm6049sup1.cif
Contains datablocks shelxl, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805001960/wm6049Isup2.hkl
Contains datablock I

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](e-Te) = 0.001 Å
  • R factor = 0.032
  • wR factor = 0.060
  • Data-to-parameter ratio = 30.1

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT432_ALERT_2_A Short Inter X...Y Contact Te1 .. Cl2 .. 3.28 Ang.
Author Response: This is not a particularly short Te-X contact considering other structures containing tellurium polycations.

Alert level B PLAT432_ALERT_2_B Short Inter X...Y Contact Te1 .. Cl5 .. 3.38 Ang.
Author Response: This is not a particularly short Te-X contact considering other structures containing tellurium polycations.
PLAT432_ALERT_2_B Short Inter X...Y Contact  Te2    ..  Cl2     ..       3.37 Ang.
Author Response: This is not a particularly short Te-X contact considering other structures containing tellurium polycations.

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 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Ga1 PLAT431_ALERT_2_C Short Inter HL..A Contact Cl5 .. Cl6 .. 3.44 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact Te2 .. Cl5 .. 3.51 Ang.
Author Response: This is not a particularly short Te-X contact considering other structures containing tellurium polycations.

1 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: COLLECT (Nonius, 1999); cell refinement: DIRAX/LSQ (Duisenberg, 1992); data reduction: EVALCCD (Duisenberg et al., 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: program (reference?); software used to prepare material for publication: maXus (Mackay et al., 1999).

Tetratellurium bis[heptachlorodigallate(III)] top
Crystal data top
Te4[Ga2Cl7]2F(000) = 1140
Mr = 1285.62Dx = 3.236 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 116 reflections
a = 9.1244 (6) Åθ = 4.3–20.7°
b = 11.0468 (7) ŵ = 9.78 mm1
c = 13.0895 (7) ÅT = 296 K
β = 90.152 (6)°Block, black
V = 1319.36 (14) Å30.25 × 0.25 × 0.20 mm
Z = 2
Data collection top
Nonius KappaCCD
diffractometer
2350 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.063
φ and ω scansθmax = 27.5°, θmin = 4.6°
Absorption correction: numerical
(HABITUS; Herrendorf & Bärnighausen, 1997)
h = 1110
Tmin = 0.111, Tmax = 0.159k = 1414
16007 measured reflectionsl = 1616
3013 independent reflections
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullPrimary atom site location: structure-invariant direct methods
R[F2 > 2σ(F2)] = 0.032Secondary atom site location: difference Fourier map
wR(F2) = 0.060 w = 1/[σ2(Fo2) + (0.0088P)2 + 3.3218P]
where P = (Fo2 + 2Fc2)/3
S = 1.11(Δ/σ)max < 0.001
3013 reflectionsΔρmax = 0.58 e Å3
100 parametersΔρmin = 0.94 e Å3
Special details top

Experimental. A Raman spectrum of a single-crystal of (I), mounted in a melting point tube, was recorded using a Renishaw System 1000 spectrometer equipped with a DMLM Leica microscope and a 25 mW He—Ne laser (633 nm).

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
Te10.43687 (4)0.15697 (3)0.03397 (3)0.04632 (11)
Te20.68081 (4)0.06271 (3)0.04444 (3)0.05018 (12)
Ga10.73864 (6)0.42252 (5)0.15738 (4)0.03512 (13)
Ga21.12169 (6)0.31958 (5)0.20582 (4)0.03478 (13)
Cl10.63024 (16)0.58362 (13)0.20414 (15)0.0591 (4)
Cl20.68781 (19)0.36435 (13)0.00468 (12)0.0552 (4)
Cl30.72295 (17)0.27672 (14)0.26318 (12)0.0520 (3)
Cl40.97980 (14)0.47526 (12)0.14389 (11)0.0431 (3)
Cl51.09409 (16)0.32674 (14)0.36881 (10)0.0490 (3)
Cl61.04769 (16)0.16123 (12)0.12915 (11)0.0468 (3)
Cl71.33555 (16)0.37785 (14)0.16368 (15)0.0595 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Te10.0446 (2)0.03280 (17)0.0615 (3)0.00155 (15)0.01299 (17)0.00281 (17)
Te20.03774 (19)0.04240 (19)0.0703 (3)0.00667 (16)0.01938 (18)0.00038 (19)
Ga10.0356 (3)0.0323 (3)0.0375 (3)0.0010 (2)0.0041 (2)0.0008 (2)
Ga20.0308 (3)0.0412 (3)0.0322 (3)0.0034 (2)0.0027 (2)0.0017 (2)
Cl10.0408 (7)0.0438 (7)0.0926 (13)0.0053 (6)0.0042 (8)0.0152 (8)
Cl20.0759 (10)0.0504 (8)0.0393 (8)0.0219 (7)0.0131 (7)0.0018 (7)
Cl30.0534 (8)0.0561 (8)0.0465 (8)0.0013 (6)0.0085 (6)0.0152 (7)
Cl40.0357 (7)0.0417 (6)0.0520 (8)0.0008 (5)0.0022 (5)0.0080 (6)
Cl50.0507 (8)0.0662 (9)0.0302 (7)0.0034 (7)0.0073 (6)0.0033 (7)
Cl60.0516 (8)0.0458 (7)0.0429 (8)0.0043 (6)0.0046 (6)0.0090 (6)
Cl70.0338 (7)0.0607 (9)0.0841 (13)0.0068 (6)0.0058 (7)0.0122 (9)
Geometric parameters (Å, º) top
Te1—Te2i2.6571 (5)Ga1—Cl42.2835 (14)
Te1—Te22.6608 (5)Ga2—Cl42.2990 (14)
Te2—Te1i2.6571 (5)Ga2—Cl52.1504 (15)
Ga1—Cl12.1269 (15)Ga2—Cl62.1260 (14)
Ga1—Cl22.1490 (16)Ga2—Cl72.1289 (15)
Ga1—Cl32.1293 (16)
Te2i—Te1—Te289.999 (15)Cl6—Ga2—Cl7114.62 (7)
Te1i—Te2—Te190.003 (15)Cl6—Ga2—Cl5117.44 (6)
Cl1—Ga1—Cl2114.74 (7)Cl7—Ga2—Cl4101.43 (6)
Cl1—Ga1—Cl3114.43 (7)Cl7—Ga2—Cl5110.84 (7)
Cl1—Ga1—Cl4104.93 (6)Cl6—Ga2—Cl4105.74 (6)
Cl3—Ga1—Cl4108.05 (6)Cl5—Ga2—Cl4104.78 (6)
Cl2—Ga1—Cl4102.12 (7)Ga1—Cl4—Ga2108.89 (6)
Symmetry code: (i) x+1, y, z.
 

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