Crystallography Open Database

Information card for entry 7038437

Preview

Coordinates	7038437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.5 H51 Au Cl N2 P
Calculated formula	C40 H47 Au Cl N2 P
SMILES	[Au](Cl)[P](C=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1
Title of publication	Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.
Authors of publication	Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	24
Pages of publication	9860 - 9870
a	9.7488 ± 0.0006 Å
b	20.0872 ± 0.0013 Å
c	20.8717 ± 0.0014 Å
α	90°
β	98.4585 ± 0.001°
γ	90°
Cell volume	4042.8 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0433
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
185381 (current)	2016-08-07	cif/ Updating files of 7038430, 7038431, 7038432, 7038433, 7038434, 7038435, 7038436, 7038437, 7038438, 7038439 Original log message: Adding full bibliography for 7038430--7038439.cif.	7038437.cif
176736	2016-02-19	cif/ Adding structures of 7038430, 7038431, 7038432, 7038433, 7038434, 7038435, 7038436, 7038437, 7038438, 7038439 via cif-deposit CGI script.	7038437.cif