Crystallography Open Database

Information card for entry 4332764

Preview

Coordinates	4332764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H36 Au2 N4 O6 P2 S2
Calculated formula	C41 H36 Au2 N4 O6 P2 S2
SMILES	[Au](S/C(=N\c1ccc(N(=O)=O)cc1)OC)[P](C[P](c1ccccc1)(c1ccccc1)[Au]S/C(=N\c1ccc(N(=O)=O)cc1)OC)(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	27.944 ± 0.0014 Å
b	10.8454 ± 0.0006 Å
c	30.0702 ± 0.0015 Å
α	90°
β	115.497 ± 0.001°
γ	90°
Cell volume	8225.6 ± 0.7 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
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	0.073
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	4332764.cif
98535	2014-01-30	cif/ Adding structures of 4332764 via cif-deposit CGI script.	4332764.cif