Crystallography Open Database

Information card for entry 4346794

Preview

Coordinates	4346794.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2
Formula	C48 H68 Cl12 N4 W4
Calculated formula	C48 H68 Cl12 N4 W4
SMILES	c1(c(cccc1C(C)C)C(C)C)N=[W]123([W]4(=Nc5c(C(C)C)cccc5C(C)C)([Cl]1)([Cl]2)([Cl]3)[Cl][W]123(=Nc5c(cccc5C(C)C)C(C)C)([W](=Nc5c(cccc5C(C)C)C(C)C)(Cl)(Cl)([Cl]1)([Cl]2)[Cl]3)[Cl]4)(Cl)Cl
Title of publication	Synthesis and Characterization of Paramagnetic Tungsten Imido Complexes Bearing α-Diimine Ligands.
Authors of publication	Tanahashi, Hiromasa; Ikeda, Hideaki; Tsurugi, Hayato; Mashima, Kazushi
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	4
Pages of publication	1446 - 1452
a	17.436 ± 0.006 Å
b	15.492 ± 0.005 Å
c	11.082 ± 0.004 Å
α	90°
β	94.61 ± 0.004°
γ	90°
Cell volume	2983.8 ± 1.8 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
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	0.0856
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
231982 (current)	2019-11-23	cif/ Adding structures of 4346794, 4346795, 4346796 via cif-deposit CGI script.	4346794.cif