Crystallography Open Database

Information card for entry 1514739

Preview

Coordinates	1514739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H54 N2 Zn
Calculated formula	C35 H54 N2 Zn
SMILES	[Zn](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion
Authors of publication	Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	11
Pages of publication	4259
a	9.7795 ± 0.0005 Å
b	10.1033 ± 0.0005 Å
c	20.1669 ± 0.0008 Å
α	90.336 ± 0.004°
β	103.989 ± 0.004°
γ	118.932 ± 0.005°
Cell volume	1674.4 ± 0.17 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514739.cif
110240	2014-04-18	cif/ Adding structures of 1514738, 1514739, 1514740, 1514741, 1514742 via cif-deposit CGI script.	1514739.cif