Crystallography Open Database

Information card for entry 7038473

Preview

Coordinates	7038473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H36 N O3 P3 W
Calculated formula	C42 H36 N O3 P3 W
SMILES	[W]12([P](CN(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
Title of publication	Insight into the stereoelectronic parameters of N-triphos ligands via coordination to tungsten(0).
Authors of publication	Phanopoulos, Andreas; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	13
Pages of publication	5536 - 5548
a	10.2345 ± 0.00011 Å
b	19.2654 ± 0.0003 Å
c	18.4601 ± 0.0002 Å
α	90°
β	94.9551 ± 0.0009°
γ	90°
Cell volume	3626.21 ± 0.08 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0264
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0516
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181643 (current)	2016-04-05	cif/ Updating files of 7038473, 7038474, 7038475, 7038476, 7038477, 7038478, 7038479, 7038480 Original log message: Adding full bibliography for 7038473--7038480.cif.	7038473.cif
176783	2016-02-20	cif/ Adding structures of 7038473, 7038474, 7038475, 7038476, 7038477, 7038478, 7038479, 7038480 via cif-deposit CGI script.	7038473.cif