Crystallography Open Database

Information card for entry 4347027

Preview

Coordinates	4347027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H48 Au Cl O P2
Calculated formula	C31 H48 Au Cl O P2
SMILES	c12cccc3c1Oc1c(C3(C)C)cccc1[P](C(C)(C)C)(C(C)(C)C)[Au](Cl)[P]2(C(C)(C)C)C(C)(C)C
Title of publication	Constructing a Catalytic Cycle for C-F to C-X (X = O, S, N) Bond Transformation Based on Gold-Mediated Ligand Nucleophilic Attack.
Authors of publication	Hu, Ji-Yun; Zhang, Jing; Wang, Gao-Xiang; Sun, Hao-Ling; Zhang, Jun-Long
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	5
Pages of publication	2274 - 2283
a	11.267 ± 0.003 Å
b	16.845 ± 0.004 Å
c	17.434 ± 0.004 Å
α	90°
β	104.795 ± 0.004°
γ	90°
Cell volume	3199.1 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0479
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0846
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
232120 (current)	2019-11-23	cif/ Adding structures of 4347027 via cif-deposit CGI script.	4347027.cif