National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
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 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 10
rCC 410 rCCl 47 rCF 41 rCFe 1
rCGe 1 rCH 391 rCI 2 rClAs 1
rClBr 1 rClCa 1 rClCl 4 rClGa 2
rClGe 2 rClI 1 rClO 5 rClTi 1
rCN 81 rCO 123 rCP 4 rCS 26
rCSe 4 rCSi 1 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 6
rFF 5 rFGa 2 rFGe 1 rFI 1
rFMg 1 rFO 5 rFP 7 rFS 3
rFSc 1 rFSi 2 rGaAs 1 rHAl 2
rHAr 1 rHAs 2 rHB 3 rHBe 1
rHBr 4 rHC 26 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 11 rHP 8
rHS 2 rHSc 1 rHSe 3 rHSi 4
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 6 rNH 32 rNN 15
rNO 48 rN-O 1 rNS 4 rO=Ti 1
rOBr 1 rOCa 1 rOCl 5 rOF 1
rOGa 1 rOH 30 rON 1 rOO 17
rOP 2 rOS 8 rOSc 1 rPBr 1
rPCl 5 rPF 1 rPH 9 rPN 1
rPO 6 rPP 6 rPS 1 rSCl 7
rSD 1 rSeO 2 rSeSe 1 rSF 5
rSH 12 rSiC 3 rSiCl 7 rSiF 3
rSiH 12 rSiN 1 rSiO 1 rSiP 1
rSiS 1 rSiSi 2 rSO 12 rSS 10
rSSe 1 rSZn 1 rTiCl 1 rVO 1
rZnC 1