Crystallography Open Database

Information card for entry 4124569

Preview

Coordinates	4124569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H61 Li Mo2 N4 O
Calculated formula	C49 H61 Li Mo1.9998 N4 O
Title of publication	Lithium Di- and Trimethyl Dimolybdenum(II) Complexes with Mo-Mo Quadruple Bonds and Bridging Methyl Groups.
Authors of publication	Curado, Natalia; Carrasco, Mario; Álvarez, Eleuterio; Maya, Celia; Peloso, Riccardo; Rodríguez, Amor; López-Serrano, Joaquín; Carmona, Ernesto
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	38
Pages of publication	12378 - 12387
a	10.242 ± 0.0013 Å
b	10.8683 ± 0.0015 Å
c	22.381 ± 0.003 Å
α	79.42 ± 0.004°
β	80.038 ± 0.004°
γ	70.732 ± 0.004°
Cell volume	2294.7 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.2347
Weighted residual factors for all reflections included in the refinement	0.2566
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
159589 (current)	2015-10-05	cif/ Adding structures of 4124568, 4124569, 4124570 via cif-deposit CGI script.	4124569.cif