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Listing of experimental geometry data for CaBr2 (Calcium dibromide)

No experimental rotational constants available.
Calculated rotational constants for CaBr2 (Calcium dibromide).

Point Group D∞h

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCaBr 2.616 1 2 1987Vaj/Har:1171-1174
aBrCaBr 180 2 1 3 1987Vaj/Har:1171-1174
picture of Calcium dibromide

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Ca-Br 2
Atom x (Å) y (Å) z (Å)
Ca1 0.0000 0.0000 0.0000
Br2 0.0000 0.0000 2.6160
Br3 0.0000 0.0000 -2.6160

Atom - Atom Distances (Å)
  Ca1 Br2 Br3
Ca12.61602.6160
Br22.61605.2320
Br32.61605.2320

Calculated geometries for CaBr2 (Calcium dibromide).
References
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squib reference DOI
1987Vaj/Har:1171-1174 E Vajda, M Hargittai, I Hargittai, J Tremmel, J Brunvoll "Electron Diffraction Reinvestigation of the Molecular Structure of Calcium Dihalides" Inorg, Chem. 1987, 26, 1171-1174 10.1021/ic00254a038

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