Crystallography Open Database

Information card for entry 4348285

Preview

Coordinates	4348285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H76 Au2 F6 N4 O6 P4 S2
Calculated formula	C40 H76 Au2 F6 N4 O6 P4 S2
SMILES	C12N(C=CN1P(C(C)(C)C)C(C)(C)C)[P](C(C)(C)C)(C(C)(C)C)[Au]1[Au]=2[P](C(C)(C)C)(C(C)(C)C)N2C=1N(C=C2)P(C(C)(C)C)C(C)(C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
Title of publication	Bonding, Luminescence, Metallophilicity in Linear Au3 and Au2Ag Chains Stabilized by Rigid Diphosphanyl NHC Ligands.
Authors of publication	Ai, Pengfei; Mauro, Matteo; Gourlaouen, Christophe; Carrara, Serena; De Cola, Luisa; Tobon, Yeny; Giovanella, Umberto; Botta, Chiara; Danopoulos, Andreas A.; Braunstein, Pierre
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	17
Pages of publication	8527 - 8542
a	8.7716 ± 0.0007 Å
b	13.4707 ± 0.0009 Å
c	23.8674 ± 0.0017 Å
α	90°
β	92.103 ± 0.002°
γ	90°
Cell volume	2818.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.0805
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
232863 (current)	2019-11-23	cif/ Adding structures of 4348284, 4348285, 4348286 via cif-deposit CGI script.	4348285.cif