Crystallography Open Database

Information card for entry 4345148

Preview

Coordinates	4345148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H53 F3 Mo2 N6 O10 S
Calculated formula	C50 H52 F3 Mo2 N6 O10 S
Title of publication	Mixed Ligated Tris(amidinate)dimolybdenum Complexes as Catalysts for Radical Addition of CCl4 to 1-Hexene: Leaving Ligand Lability Controls Catalyst Activity.
Authors of publication	Rej, Supriya; Majumdar, Moumita; Kando, Shun; Sugino, Yoshitaka; Tsurugi, Hayato; Mashima, Kazushi
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	1
Pages of publication	634 - 644
a	11.378 ± 0.004 Å
b	17.425 ± 0.007 Å
c	25.546 ± 0.01 Å
α	90°
β	93.198 ± 0.003°
γ	90°
Cell volume	5057 ± 3 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	7
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	0.1146
Residual factor for significantly intense reflections	0.0963
Weighted residual factors for significantly intense reflections	0.1936
Weighted residual factors for all reflections included in the refinement	0.2055
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191272 (current)	2017-02-04	cif/ Adding structures of 4345145, 4345146, 4345147, 4345148, 4345149 via cif-deposit CGI script.	4345148.cif