Crystallography Open Database

Information card for entry 4073470

Preview

Coordinates	4073470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H45 Au N2
Calculated formula	C43 H45 Au N2
SMILES	[Au](c1ccc2ccc3cccc4ccc1c2c34)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Gold(I) Pyrenyls: Excited-State Consequences of Carbon−Gold Bond Formation
Authors of publication	Partyka, David V.; Esswein, Arthur J.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	14
Pages of publication	3279
a	12.2122 ± 0.0013 Å
b	12.1108 ± 0.0013 Å
c	23.06 ± 0.003 Å
α	90°
β	90.024 ± 0.002°
γ	90°
Cell volume	3410.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
178623 (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 4/07/34.	4073470.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073470.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073470.cif
46357	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073470 via cif-deposit CGI script.	4073470.cif