National Institute of Standards and Technology

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

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II.A.3. (XII.A.1.)

Listing of experimental geometry data for Zn(CH₃)₂ (dimethyl zinc)

No experimental rotational constants available.
Calculated rotational constants for Zn(CH₃)₂ (dimethyl zinc).

Point Group C_2v

No coordinate data available.

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond

Bond Type	Count
C-Zn	2
H-C	6

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.0000	0.0000	0.0000
C2	0.0000	0.0000	1.9300
C3	0.0000	0.0000	-1.9300
H4	0.0000	1.0163	2.3510
H5	0.0000	1.0163	-2.3510
H6	-0.8801	-0.5081	2.3510
H7	0.8801	-0.5081	2.3510
H8	0.8801	-0.5081	-2.3510
H9	-0.8801	-0.5081	-2.3510

Atom - Atom Distances (Å)

	Zn1	C2	C3	H4	H5	H6	H7	H8	H9
Zn1		1.9300	1.9300	2.5612	2.5612	2.5612	2.5612	2.5612	2.5612
C2	1.9300		3.8600	1.1000	4.3999	1.1000	1.1000	4.3999	4.3999
C3	1.9300	3.8600		4.3999	1.1000	4.3999	4.3999	1.1000	1.1000
H4	2.5612	1.1000	4.3999		4.7019	1.7602	1.7602	5.0206	5.0206
H5	2.5612	4.3999	1.1000	4.7019		5.0206	5.0206	1.7602	1.7602
H6	2.5612	1.1000	4.3999	1.7602	5.0206		1.7602	5.0206	4.7019
H7	2.5612	1.1000	4.3999	1.7602	5.0206	1.7602		4.7019	5.0206
H8	2.5612	4.3999	1.1000	5.0206	1.7602	5.0206	4.7019		1.7602
H9	2.5612	4.3999	1.1000	5.0206	1.7602	4.7019	5.0206	1.7602

Calculated geometries for Zn(CH₃)₂ (dimethyl zinc).

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