Crystallography Open Database

Information card for entry 4072464

Preview

Coordinates	4072464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H17 Au Cl N
Calculated formula	C9 H17 Au Cl N
SMILES	[Au](C#[N]C(C)(C)CC(C)(C)C)Cl
Title of publication	Photophysics and Bonding in Neutral Gold(I) Organometallic Complexes with an Extended Aurophilic Supramolecular Structure
Authors of publication	Elbjeirami, Oussama; Yockel, Scott; Campana, Charles F.; Wilson, Angela K.; Omary, Mohammad A.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	10
Pages of publication	2550
a	19.9362 ± 0.0009 Å
b	8.0691 ± 0.0004 Å
c	14.8652 ± 0.0007 Å
α	90°
β	98.263 ± 0.002°
γ	90°
Cell volume	2366.5 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0203
Residual factor for significantly intense reflections	0.0162
Weighted residual factors for significantly intense reflections	0.0407
Weighted residual factors for all reflections included in the refinement	0.0433
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
178613 (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 4/07/24.	4072464.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072464.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072464.cif
45832	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072464 via cif-deposit CGI script.	4072464.cif