National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 18October 2016
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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II.B.3. (XII.A.3.)

Experimental bond lengths

This table lists coordinate descriptions and how many of that type of coordinate are in the CCCBDB.
"=" indicates a double bond. "#" indicates a triple bond. Click on the description for a list of that type.
descriptionCount descriptionCount descriptionCount descriptionCount
rAlAl 1 rAlCl 4 rAlF 2 rAlH 3
rAlO 1 rAlP 9 rAlS 1 rArAr 1
rAsAs 2 rBB 4 rBBr 2 rBC 1
rBCl 4 rBeBe 1 rBeCl 2 rBeF 2
rBeH 1 rBeO 1 rBeS 1 rBF 4
rBH 10 rBN 3 rBO 3 rBrBr 1
rBrI 1 rBrO 1 rBS 2 rCAl 1
rCBr 12 rCC 412 rCCl 50 rCF 44
rCFe 1 rCGe 1 rCH 394 rCI 2
rClAs 1 rClBr 1 rClCa 1 rClCl 4
rClGa 2 rClGe 2 rClI 1 rClO 5
rClTi 1 rCN 83 rCO 128 rCOO 1
rCP 4 rCS 27 rCSe 5 rCSi 2
rCuCl 1 rCuCu 1 rCuF 1 rCuO 1
rDCl 1 rDD 1 rDF 1 rDH 1
rDO 1 rDS 1 rFAs 1 rFBr 5
rFCa 1 rFCl 8 rFF 5 rFGa 2
rFGe 4 rFI 1 rFMg 1 rFO 5
rFP 7 rFS 5 rFSc 1 rFSi 4
rGaAs 1 rHAl 2 rHAr 1 rHAs 2
rHB 3 rHBe 1 rHBr 4 rHC 30
rHCa 1 rHCl 4 rHCu 1 rHeHe 1
rHF 4 rHGa 1 rHGe 2 rHH 1
rHI 1 rHK 1 rHMg 2 rHN 9
rHO 12 rHP 8 rHS 2 rHSc 1
rHSe 3 rHSi 5 rHTi 1 rHZn 2
rII 1 rKBr 1 rKCl 1 rKF 1
rKK 1 rLiBr 1 rLiCl 4 rLiF 1
rLiH 1 rLiK 1 rLiLi 1 rLiNa 1
rLiO 3 rLiS 1 rMgCl 2 rMgF 1
rMgH 2 rMgMg 1 rMgO 2 rMgS 1
rNaBr 1 rNaCl 2 rNaF 1 rNaH 1
rNaK 1 rNAl 1 rNaNa 1 rNaO 1
rNAs 2 rNBr 1 rNCl 3 rNeNe 4
rNF 7 rNH 32 rNN 15 rNO 49
rN-O 1 rNS 4 rNSe 1 rO=Ti 1
rOBr 1 rOCa 1 rOCl 6 rOF 1
rOGa 1 rOH 30 rON 1 rOO 20
rOP 2 rOS 8 rOSc 1 rPBr 1
rPCl 5 rPF 1 rPGa 16 rPH 9
rPN 1 rPO 6 rPP 6 rPS 1
rSCl 7 rSD 1 rSeO 2 rSeSe 1
rSF 5 rSH 12 rSiBr 2 rSiC 3
rSiCl 7 rSiF 4 rSiH 12 rSiN 1
rSiO 1 rSiP 1 rSiS 1 rSiSi 2
rSO 13 rSS 10 rSSe 1 rSZn 1
rTiCl 1 rVO 1 rZnC 1