Crystallography Open Database

Information card for entry 4088913

Preview

Coordinates	4088913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H38 N2 O3 P2 W
Calculated formula	C23 H38 N2 O3 P2 W
Title of publication	Arene C‒H Bond Coordination versus C‒H Bond Cleavage in Low-Valent Group 6 Carbonyl Pincer Complexes
Authors of publication	de Aguiar, Sara R. M. M.; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	17
Pages of publication	3032
a	18.784 ± 0.013 Å
b	12.325 ± 0.008 Å
c	11.039 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2556 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0184
Residual factor for significantly intense reflections	0.0136
Weighted residual factors for significantly intense reflections	0.0185
Weighted residual factors for all reflections included in the refinement	0.0193
Goodness-of-fit parameter for significantly intense reflections	1.31
Goodness-of-fit parameter for all reflections included in the refinement	1.29
Diffraction radiation probe	x-ray
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
237878 (current)	2019-11-24	cif/ Adding structures of 4088911, 4088912, 4088913 via cif-deposit CGI script.	4088913.cif