Crystallography Open Database

Information card for entry 4086713

Preview

Coordinates	4086713.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jonsc14
Chemical name	(tBu-PONOP)W(CO)3
Formula	C24 H39 N O5 P2 W
Calculated formula	C24 H39 N O5 P2 W
Title of publication	Synthesis, Characterization, and Reactivities of Molybdenum and Tungsten PONOP Pincer Complexes
Authors of publication	Castro-Rodrigo, Ruth; Chakraborty, Sumit; Munjanja, Lloyd; Brennessel, William W.; Jones, William D.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	18
Pages of publication	3124
a	14.8572 ± 0.0016 Å
b	13.1404 ± 0.0014 Å
c	15.5556 ± 0.0016 Å
α	90°
β	117.827 ± 0.0019°
γ	90°
Cell volume	2685.7 ± 0.5 Å³
Cell temperature	100 ± 0.5 K
Ambient diffraction temperature	100 ± 0.5 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	0.0303
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.0574
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
186938 (current)	2016-10-05	cif/ Adding structures of 4086711, 4086712, 4086713, 4086714 via cif-deposit CGI script.	4086713.cif