Crystallography Open Database

Information card for entry 1541886

Preview

Coordinates	1541886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H43 Au N O P
Calculated formula	C28 H43 Au N O P
SMILES	[Au](P=C=O)=C1N(c2c(cccc2C(C)C)C(C)C)C(C[C@]21C[C@H](C)CC[C@H]2C(C)C)(C)C
Title of publication	Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion
Authors of publication	Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	3
Pages of publication	2335
a	10.7215 ± 0.0007 Å
b	13.536 ± 0.0007 Å
c	19.0499 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2764.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0378
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	1.321
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
177722 (current)	2016-03-05	cif/ Updating files of 1541885, 1541886, 1541887, 1541888, 1541889, 1541890, 1541891, 1541892, 1541893, 1541894 Original log message: Adding full bibliography for 1541885--1541894.cif.	1541886.cif
173489	2016-01-05	cif/ Adding structures of 1541885, 1541886, 1541887, 1541888, 1541889, 1541890, 1541891, 1541892, 1541893, 1541894 via cif-deposit CGI script.	1541886.cif