Crystallography Open Database

Information card for entry 4345149

Preview

Coordinates	4345149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H50 Cl Mo2 N7 O6
Calculated formula	C50 H50 Cl Mo2 N7 O6
SMILES	[Mo]123([Mo](Cl)(N(C=[N]1c1ccc(OC)cc1)c1ccc(OC)cc1)(N(C=[N]2c1ccc(OC)cc1)c1ccc(OC)cc1)N(C=[N]3c1ccc(OC)cc1)c1ccc(OC)cc1)[n]1ccccc1
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	13.045 ± 0.002 Å
b	9.6531 ± 0.0016 Å
c	37.691 ± 0.011 Å
α	90°
β	90.098 ± 0.013°
γ	90°
Cell volume	4746.2 ± 1.8 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 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	0.1689
Residual factor for significantly intense reflections	0.1279
Weighted residual factors for significantly intense reflections	0.2561
Weighted residual factors for all reflections included in the refinement	0.2816
Goodness-of-fit parameter for all reflections included in the refinement	1.224
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.	4345149.cif