Crystallography Open Database

Information card for entry 4077355

Preview

Coordinates	4077355.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[{MeAs(NHCy)(NCy)}ZnMe]2
Formula	C28 H58 As2 N4 Zn2
Calculated formula	C28 H58 As2 N4 Zn2
SMILES	[As]1([NH](C2CCCCC2)[Zn]2([N]1(C1CCCCC1)[Zn]1([NH](C3CCCCC3)[As]([N]21C1CCCCC1)C)C)C)C
Title of publication	Methyl Group Transfer from ZnMe2to Arsenic(III), an Alternative Pathway to Deprotonation of [CyNHAs(μ-NCy)]2
Authors of publication	Bond, Andrew D.; Hopkins, Alexander D.; Rothenberger, Alexander; Wolf, Robert; Woods, Anthony D.; Wright, Dominic S.
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	22
Pages of publication	4454
a	8.1835 ± 0.0005 Å
b	9.8676 ± 0.0005 Å
c	23.3327 ± 0.0008 Å
α	81.031 ± 0.003°
β	81.754 ± 0.003°
γ	66.919 ± 0.002°
Cell volume	1705.1 ± 0.15 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1049
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178662 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/73.	4077355.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077355.cif
54306	2012-04-24	cif/ Adding structures of 4077355 via cif-deposit CGI script.	4077355.cif