Crystallography Open Database

Information card for entry 4346795

Preview

Coordinates	4346795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H57 Cl3 N3 W
Calculated formula	C40 H57 Cl3 N3 W
SMILES	[W]1(Cl)(Cl)(Cl)([N](=C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C
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	9.1419 ± 0.0037 Å
b	19.2878 ± 0.0078 Å
c	22.9034 ± 0.0094 Å
α	90°
β	99.7606 ± 0.0047°
γ	90°
Cell volume	3980 ± 3 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	5
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	0.0701
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1409
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.216
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.	4346795.cif