Crystallography Open Database

Information card for entry 1541891

Preview

Coordinates	1541891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H43 Au B F15 N O P
Calculated formula	C46 H43 Au B F15 N O P
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	14.7478 ± 0.0002 Å
b	14.7478 ± 0.0002 Å
c	40.2121 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8746 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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.	1541891.cif
173489	2016-01-05	cif/ Adding structures of 1541885, 1541886, 1541887, 1541888, 1541889, 1541890, 1541891, 1541892, 1541893, 1541894 via cif-deposit CGI script.	1541891.cif