Crystallography Open Database

Information card for entry 1547386

Preview

Coordinates	1547386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H33 Au Cl Fe P
Calculated formula	C28 H33 Au Cl Fe P
SMILES	[Au](Cl)[P]([c]12[c]3([cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)c1c2ccccc2ccc1)(C(C)(C)C)C(C)(C)C
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	9.7478 ± 0.0014 Å
b	9.7478 ± 0.0014 Å
c	23.296 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1917 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
288243 (current)	2023-12-12	cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9841. This change affected only the misspelt variants of the '_diffrn_measurement_specimen_support' data name.	1547386.cif
201359	2017-09-27	cif/ Adding structures of 1547386 via cif-deposit CGI script.	1547386.cif