Crystallography Open Database

Information card for entry 4332763

Preview

Coordinates	4332763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Au N2 O3 P S
Calculated formula	C26 H22 Au N2 O3 P S
SMILES	[Au](S/C(=N\c1ccc(N(=O)=O)cc1)OC)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Luminescent Phosphine Gold(I) Thiolates: Correlation between Crystal Structure and Photoluminescent Properties in [R3PAu{SC(OMe)NC6H4NO2-4}] (R = Et, Cy, Ph) and [(Ph2P-R-PPh2){AuSC(OMe)NC6H4NO2-4}2] (R = CH2, (CH2)2, (CH2)3, (CH2)4, Fc)
Authors of publication	Ho, Soo Yei; Cheng, Eddie Chung-Chin; Tiekink, Edward R. T.; Yam, Vivian Wing-Wah
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	20
Pages of publication	8165 - 8174
a	9.1839 ± 0.0003 Å
b	16.0097 ± 0.0006 Å
c	17.053 ± 0.0006 Å
α	90°
β	100.948 ± 0.001°
γ	90°
Cell volume	2461.69 ± 0.15 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
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	0.04
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.057
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179430 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/27.	4332763.cif
98534	2014-01-30	cif/ Adding structures of 4332763 via cif-deposit CGI script.	4332763.cif