Crystallography Open Database

Information card for entry 4124568

Preview

Coordinates	4124568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H88 Li Mo2 N4 O3
Calculated formula	C63 H88 Li Mo2 N4 O3
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	12.2509 ± 0.0006 Å
b	14.4835 ± 0.0006 Å
c	34.4912 ± 0.0016 Å
α	90°
β	97.764 ± 0.002°
γ	90°
Cell volume	6063.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0794
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4124568.cif
159589	2015-10-05	cif/ Adding structures of 4124568, 4124569, 4124570 via cif-deposit CGI script.	4124568.cif