Crystallography Open Database

Information card for entry 1547383

Preview

Coordinates	1547383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H61 Au Cl4 O3 P
Calculated formula	C57 H61 Au Cl4 O3 P
SMILES	[Au]([P]1(Oc2c(cc3ccccc3c2c2c3ccccc3cc(c2O1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Oc1ccccc1)Cl.ClC(Cl)Cl
Title of publication	Modular chiral gold(i) phosphite complexes
Authors of publication	Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena
Journal of publication	Catalysis Science & Technology
Year of publication	2013
Journal volume	3
Pages of publication	3007 - 3012
a	9.0107 ± 0.0006 Å
b	22.8169 ± 0.0016 Å
c	25.9541 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	5336.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
201356 (current)	2017-09-27	cif/ Adding structures of 1547383 via cif-deposit CGI script.	1547383.cif